smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)C1OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1C=C4 ZINC000103572806 291918392 /nfs/dbraw/zinc/91/83/92/291918392.db2.gz OSQURCIQJPSCPR-HOUKKHPBSA-N 1 0 569.742 6.961 1 0 biogenic,in-vitro KKAFRO CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)C[C@@H](C[NH2+]C)[C@]2(O)CC[C@H](Cc3cc[nH+]c(N)c3)C2)[C@H](O)C1 ZINC000085492604 291930324 /nfs/dbraw/zinc/93/03/24/291930324.db2.gz AGKXCNAMBDRYHF-NNJVOXBISA-N 1 0 587.846 5.109 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](CO)C1CC[NH2+]CC1)OC2=O)Cc1ccccc1 ZINC000085571323 291945938 /nfs/dbraw/zinc/94/59/38/291945938.db2.gz XSOMVMNFNDWJDL-HKVMNWRYSA-N 1 0 737.937 8.694 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cccc2ccc(C[C@@H](Cc3ccc(O)c(OC)c3)C(=O)C[C@@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3)cc21 ZINC000085632352 291956259 /nfs/dbraw/zinc/95/62/59/291956259.db2.gz XXPMLWAVCVTFHR-OGLWZABDSA-N 1 0 635.781 5.925 1 0 biogenic,in-vitro KKAFRO COc1c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c1OCCc1ccccc1 ZINC000150350042 291966808 /nfs/dbraw/zinc/96/68/08/291966808.db2.gz CYOUVINOHMFAFE-UHFFFAOYSA-N 1 0 738.905 8.309 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1cccc(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@@H](CCCCc2cccc(O)c2)c2cc[nH]c2C1 ZINC000085626904 291979394 /nfs/dbraw/zinc/97/93/94/291979394.db2.gz MKYVWBJNVQUPSF-YCCSSRHFSA-N 1 0 681.833 7.612 1 0 biogenic,in-vitro KKAFRO C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543143 291987557 /nfs/dbraw/zinc/98/75/57/291987557.db2.gz ONYDSNDEHCYDBQ-NXPSXSHZSA-N 1 0 509.779 6.171 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567404 519085751 /nfs/dbraw/zinc/08/57/51/519085751.db2.gz ZEAQFHPOWUVJEE-UDQJZUOISA-N 1 0 776.927 6.889 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000001489805 561676165 /nfs/dbraw/zinc/67/61/65/561676165.db2.gz IUCPGZLVLKJARS-UHFFFAOYSA-N 1 0 524.478 5.392 1 0 KKAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 ZINC000001727968 561679356 /nfs/dbraw/zinc/67/93/56/561679356.db2.gz HYTUTVAJULMQCQ-UHFFFAOYSA-N 1 0 582.897 5.179 1 0 KKAFRO NC(=[NH2+])c1cccc(Oc2cc(Br)ccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000003815605 561682926 /nfs/dbraw/zinc/68/29/26/561682926.db2.gz WEGPRDRRRGATOW-UHFFFAOYSA-N 1 0 565.449 5.092 1 0 KKAFRO CN(c1ccc2c(c1)[nH+]c(NCc1ccccc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000003817288 561683037 /nfs/dbraw/zinc/68/30/37/561683037.db2.gz CZJQMWBMEOMFJP-UHFFFAOYSA-N 1 0 527.654 5.032 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3cc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000003819035 561683121 /nfs/dbraw/zinc/68/31/21/561683121.db2.gz CGWOEOXQHIMZEQ-UHFFFAOYSA-N 1 0 510.641 7.049 1 0 KKAFRO CC(C)Cc1nc(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000003819037 561683157 /nfs/dbraw/zinc/68/31/57/561683157.db2.gz RPSREAHMBSYUSD-UHFFFAOYSA-N 1 0 533.676 5.783 1 0 KKAFRO NC(=[NH2+])c1cccc(Cn2c3ccccc3c(Br)c2C(=O)NCc2cc(Cl)cc(Cl)c2)c1 ZINC000003831855 561683543 /nfs/dbraw/zinc/68/35/43/561683543.db2.gz FLKLQUOKVQOQHI-UHFFFAOYSA-N 1 0 530.253 5.973 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003943961 561689657 /nfs/dbraw/zinc/68/96/57/561689657.db2.gz LJZXJLKOOIOLLK-VWLOTQADSA-N 1 0 567.574 6.311 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4n(C)c3C(C)C)cc2)cc1OC ZINC000003922475 561685870 /nfs/dbraw/zinc/68/58/70/561685870.db2.gz OGLMUIRZIMTHMN-UHFFFAOYSA-N 1 0 564.748 6.095 1 0 KKAFRO Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(n6c7ccccc7[nH]c6=O)CC5)cc4)nc3c2)n1 ZINC000003925818 561686605 /nfs/dbraw/zinc/68/66/05/561686605.db2.gz IJORQFLBQKXKHJ-UHFFFAOYSA-N 1 0 593.695 5.634 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(NC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000003928627 561687016 /nfs/dbraw/zinc/68/70/16/561687016.db2.gz RNOZPQYHYKQEEX-UHFFFAOYSA-N 1 0 536.435 6.343 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000003932552 561687754 /nfs/dbraw/zinc/68/77/54/561687754.db2.gz BKCCUUCEIIWZGH-FLWNBWAVSA-N 1 0 551.512 7.915 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000003933652 561688064 /nfs/dbraw/zinc/68/80/64/561688064.db2.gz LKUCMBNAHQWPJK-UHFFFAOYSA-N 1 0 664.872 7.362 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000003936309 561688615 /nfs/dbraw/zinc/68/86/15/561688615.db2.gz XESWSTANEUBVSE-QBLDGPCBSA-N 1 0 678.870 7.354 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccncc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000003937224 561688783 /nfs/dbraw/zinc/68/87/83/561688783.db2.gz CZIIWRLNACPBRE-OAQYLSRUSA-N 1 0 546.071 6.415 1 0 KKAFRO C[N@H+](CCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003946686 561690105 /nfs/dbraw/zinc/69/01/05/561690105.db2.gz MOIQVOKPJIZNBO-LJAQVGFWSA-N 1 0 556.769 6.081 1 0 KKAFRO O=C(C[C@@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003947368 561690114 /nfs/dbraw/zinc/69/01/14/561690114.db2.gz RMQZAKOLGVUVAD-JGCGQSQUSA-N 1 0 611.743 6.368 1 0 in-vivo KKAFRO CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000003950343 561690379 /nfs/dbraw/zinc/69/03/79/561690379.db2.gz IJWODJNARSSPFC-LMSSTIIKSA-N 1 0 650.739 5.087 1 0 KKAFRO CC(C)CCOC(=O)C1(C(=O)OCCC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000003961067 561691167 /nfs/dbraw/zinc/69/11/67/561691167.db2.gz FHFZLRVQWNWHKK-BWKNWUBXSA-N 1 0 562.103 5.240 1 0 KKAFRO CCOc1cc(CC)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000003964751 561691409 /nfs/dbraw/zinc/69/14/09/561691409.db2.gz LNXFTQWZDRIZPC-UHFFFAOYSA-N 1 0 562.154 6.943 1 0 KKAFRO C[NH+]1CCC(COc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000003965489 561691563 /nfs/dbraw/zinc/69/15/63/561691563.db2.gz YQPAFFIGFWEPLF-UHFFFAOYSA-N 1 0 527.021 5.034 1 0 KKAFRO CNC(=O)c1cccc(NC(=O)Nc2cccc(C(C)=O)c2)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000003974016 561691797 /nfs/dbraw/zinc/69/17/97/561691797.db2.gz AYLIGBDQTHFVLJ-UHFFFAOYSA-N 1 0 516.617 5.487 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[n+]4ccccc4)cc3)cc2)[C@H]1O ZINC000003985312 561692754 /nfs/dbraw/zinc/69/27/54/561692754.db2.gz FDSXMTNEXOLLHB-XPSQVAKYSA-N 1 0 641.898 7.314 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000004963937 561695505 /nfs/dbraw/zinc/69/55/05/561695505.db2.gz ZYNOWIYBJHDAJQ-JOCHJYFZSA-N 1 0 526.685 6.850 1 0 KKAFRO C[NH+](CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006005912 561701353 /nfs/dbraw/zinc/70/13/53/561701353.db2.gz JHHIWYHLJVQCFF-UHFFFAOYSA-N 1 0 607.758 6.989 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@H]2CCCC[C@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923780 561700278 /nfs/dbraw/zinc/70/02/78/561700278.db2.gz UPXQKZKLSGNVHJ-KGZBIEIFSA-N 1 0 511.615 5.170 1 0 KKAFRO O=C(NCCCC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006005914 561701507 /nfs/dbraw/zinc/70/15/07/561701507.db2.gz UHOSYLRTJYGKOL-UHFFFAOYSA-N 1 0 607.758 7.037 1 0 KKAFRO O=C(NCCC[NH2+]CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006005918 561701514 /nfs/dbraw/zinc/70/15/14/561701514.db2.gz SDGARJAWDOLJTM-UHFFFAOYSA-N 1 0 579.704 6.257 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(C)(C)C ZINC000006001952 561700718 /nfs/dbraw/zinc/70/07/18/561700718.db2.gz LHEGLWYTLDRTJX-ZAFHBNPNSA-N 1 0 615.767 7.008 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585202 561705857 /nfs/dbraw/zinc/70/58/57/561705857.db2.gz MTMAYQKEAVNSAJ-DYAPXYCXSA-N 1 0 536.075 6.605 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585808 561705995 /nfs/dbraw/zinc/70/59/95/561705995.db2.gz KUOJETNPGHHXFO-KRKCRBJRSA-N 1 0 536.075 6.605 3 0 KKAFRO Cc1csc(N2CCN(c3cc4c(cc3Cl)nc(-c3ccncc3)n4CCC[NH+]3CCCC3)CC2)n1 ZINC000012470829 561710860 /nfs/dbraw/zinc/71/08/60/561710860.db2.gz TVWVLPJZWMVIIW-UHFFFAOYSA-N 1 0 522.122 5.329 3 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCC(c2ccccc2)c2ccccc2)C1 ZINC000013450321 561713393 /nfs/dbraw/zinc/71/33/93/561713393.db2.gz WSPFWOXBLPRUED-QCDSWUKFSA-N 1 0 517.646 5.081 1 0 KKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)N(C)Cc3ccccc3)c2)c1F ZINC000013473990 561714445 /nfs/dbraw/zinc/71/44/45/561714445.db2.gz AACZKDSCHVAQQK-UHFFFAOYSA-N 1 0 502.521 5.809 1 0 KKAFRO O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000013475794 561714709 /nfs/dbraw/zinc/71/47/09/561714709.db2.gz DHYQOPHLANBZCR-UHFFFAOYSA-N 1 0 517.673 6.735 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CCc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013479390 561715044 /nfs/dbraw/zinc/71/50/44/561715044.db2.gz SBUYTYYLJBFBPS-AREMUKBSSA-N 1 0 523.142 6.114 1 0 KKAFRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000013479395 561715058 /nfs/dbraw/zinc/71/50/58/561715058.db2.gz KQUMJWICVOFFEQ-RUZDIDTESA-N 1 0 529.747 5.202 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489496 561715879 /nfs/dbraw/zinc/71/58/79/561715879.db2.gz UNEVEWKTGHFQJP-MUUNZHRXSA-N 1 0 517.416 5.352 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489487 561715907 /nfs/dbraw/zinc/71/59/07/561715907.db2.gz WJLNAPDUWBBQHL-NDEPHWFRSA-N 1 0 501.417 5.516 1 0 KKAFRO c1ccc2c(c1)nc1c(c2SCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013492738 561716427 /nfs/dbraw/zinc/71/64/27/561716427.db2.gz QRIQNQYNWBQHLY-UHFFFAOYSA-N 1 0 509.763 8.695 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558945 561719490 /nfs/dbraw/zinc/71/94/90/561719490.db2.gz ROZKUPMORBJMBK-SANMLTNESA-N 1 0 530.665 5.215 1 0 KKAFRO CC[NH+](CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3cc(OC)cc(OC)c3)cc2cn1 ZINC000013647838 561722683 /nfs/dbraw/zinc/72/26/83/561722683.db2.gz SDTAEHMYBHWTDK-UHFFFAOYSA-N 1 0 536.721 6.158 1 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661000 561723363 /nfs/dbraw/zinc/72/33/63/561723363.db2.gz PIGIYURZSILWDZ-SANMLTNESA-N 1 0 527.665 5.220 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+](CC)CC)c1ccc(N(C)C)cc1 ZINC000013661234 561723496 /nfs/dbraw/zinc/72/34/96/561723496.db2.gz HGDYBAMZXURDJP-RUZDIDTESA-N 1 0 508.703 6.473 3 0 KKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@H](c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000013674329 561723875 /nfs/dbraw/zinc/72/38/75/561723875.db2.gz ROKXROUURNDTKR-YTTGMZPUSA-N 1 0 530.539 8.556 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675649 561724036 /nfs/dbraw/zinc/72/40/36/561724036.db2.gz CANCFHBYJYSQSR-UHFFFAOYSA-N 1 0 531.144 7.750 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781686 561729484 /nfs/dbraw/zinc/72/94/84/561729484.db2.gz GHSNSSFMFKJXPT-GDLZYMKVSA-N 1 0 542.786 6.143 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000013824902 561732699 /nfs/dbraw/zinc/73/26/99/561732699.db2.gz XXWICQFXPAIXDZ-UHFFFAOYSA-N 1 0 526.504 7.518 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCCCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824932 561732853 /nfs/dbraw/zinc/73/28/53/561732853.db2.gz UWLFVXHGEVICLM-UHFFFAOYSA-N 1 0 535.675 7.659 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824926 561732870 /nfs/dbraw/zinc/73/28/70/561732870.db2.gz CFVVTFLCALCNSI-UHFFFAOYSA-N 1 0 507.621 6.879 1 0 KKAFRO CNC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834324 561734208 /nfs/dbraw/zinc/73/42/08/561734208.db2.gz YCKREXMPTNANIH-UHFFFAOYSA-N 1 0 514.647 5.729 1 0 KKAFRO Cc1cc(C)cc(CC(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000013835140 561734325 /nfs/dbraw/zinc/73/43/25/561734325.db2.gz VLDIKRWPOVDEKL-MHZLTWQESA-N 1 0 502.530 5.961 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCC(C)(C)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014164613 561737189 /nfs/dbraw/zinc/73/71/89/561737189.db2.gz YFGXBMYNVZFVNN-FJGAEPAQSA-N 1 0 610.683 8.206 1 0 KKAFRO COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1Cl ZINC000014209611 561737731 /nfs/dbraw/zinc/73/77/31/561737731.db2.gz CKNBKJGROXDJEP-QFIPXVFZSA-N 1 0 547.936 5.245 1 0 KKAFRO O=C1CC[C@@](CC[NH+]2CCC(O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000014262587 561738762 /nfs/dbraw/zinc/73/87/62/561738762.db2.gz VFMALDMKHOEVIT-PMERELPUSA-N 1 0 537.531 6.428 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000014286351 561739133 /nfs/dbraw/zinc/73/91/33/561739133.db2.gz DJQNAWVRMSVHNZ-YTTGMZPUSA-N 1 0 610.582 5.704 1 0 KKAFRO C[N@H+](CCCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000014294802 561739513 /nfs/dbraw/zinc/73/95/13/561739513.db2.gz CHWKXLFCYIDJEF-SSEXGKCCSA-N 1 0 570.796 6.471 1 0 KKAFRO C[NH+](C)C[C@@H](O)COc1ccc(Nc2cc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)ncn2)cc1 ZINC000014945877 561743393 /nfs/dbraw/zinc/74/33/93/561743393.db2.gz DYFJIKDOEKMQFC-HSZRJFAPSA-N 1 0 538.479 6.167 1 0 KKAFRO O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000014946307 561743504 /nfs/dbraw/zinc/74/35/04/561743504.db2.gz FEAVRTOEDVZKCJ-UHFFFAOYSA-N 1 0 581.986 7.732 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(S(C)(=O)=O)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949878 561745344 /nfs/dbraw/zinc/74/53/44/561745344.db2.gz ZEDLOMWFPPHULL-UHFFFAOYSA-N 1 0 561.129 5.066 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1 ZINC000014950407 561745454 /nfs/dbraw/zinc/74/54/54/561745454.db2.gz SFHOYYLXQXCOQP-UHFFFAOYSA-N 1 0 578.570 6.075 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950404 561745474 /nfs/dbraw/zinc/74/54/74/561745474.db2.gz REMQJEJXBDQPFM-UHFFFAOYSA-N 1 0 560.580 5.936 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[NH+]5CCC(O)CC5)cc3)CC4)cc12 ZINC000014950437 561745601 /nfs/dbraw/zinc/74/56/01/561745601.db2.gz KZFKAYHQURWCNL-UHFFFAOYSA-N 1 0 602.617 5.441 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014950606 561745641 /nfs/dbraw/zinc/74/56/41/561745641.db2.gz BPIUYWHULQJMGZ-XMMPIXPASA-N 1 0 562.592 5.336 1 0 KKAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)ccc43)cc2F)c1 ZINC000014950662 561745658 /nfs/dbraw/zinc/74/56/58/561745658.db2.gz MQHMGLMHMVFZSM-UHFFFAOYSA-N 1 0 541.896 5.559 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc(C[C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950846 561745765 /nfs/dbraw/zinc/74/57/65/561745765.db2.gz SLHUHWJCKCRBLN-QHCPKHFHSA-N 1 0 512.617 5.831 1 0 KKAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3ccc4ccccc43)cc2F)c1 ZINC000014950686 561745767 /nfs/dbraw/zinc/74/57/67/561745767.db2.gz IOUJEXDJFKAVEA-UHFFFAOYSA-N 1 0 506.463 5.510 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1 ZINC000014950945 561745920 /nfs/dbraw/zinc/74/59/20/561745920.db2.gz SFQJXKKBEULZHT-NDEPHWFRSA-N 1 0 541.680 7.003 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[n+]4ccccc4)cc3F)cc12 ZINC000014951208 561746010 /nfs/dbraw/zinc/74/60/10/561746010.db2.gz LHGHEUKAZKXIJE-UHFFFAOYSA-O 1 0 573.530 6.009 1 0 KKAFRO CCOc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OCC ZINC000014953519 561746600 /nfs/dbraw/zinc/74/66/00/561746600.db2.gz APMZHDGXRDMALH-UHFFFAOYSA-N 1 0 572.533 6.454 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(I)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953485 561746605 /nfs/dbraw/zinc/74/66/05/561746605.db2.gz VYXSHJXKMJITQQ-UHFFFAOYSA-N 1 0 610.323 6.261 1 0 KKAFRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OC ZINC000014953514 561746666 /nfs/dbraw/zinc/74/66/66/561746666.db2.gz BUHZALANBOOLCL-UHFFFAOYSA-N 1 0 544.479 5.674 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000014956572 561747692 /nfs/dbraw/zinc/74/76/92/561747692.db2.gz VZZXGCGHBAJFIX-ZEQRLZLVSA-N 1 0 555.723 6.763 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOC2=[NH2+])c1Cl ZINC000014963156 561748989 /nfs/dbraw/zinc/74/89/89/561748989.db2.gz BZYDTWAKORLHJZ-UHFFFAOYSA-N 1 0 554.843 5.383 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2c(-c3ccc(O)cc3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000014970950 561751073 /nfs/dbraw/zinc/75/10/73/561751073.db2.gz XFPSQRFNGMCQFG-UHFFFAOYSA-N 1 0 510.438 5.747 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC[NH2+]CC2)c(OC)c1 ZINC000014970574 561751122 /nfs/dbraw/zinc/75/11/22/561751122.db2.gz BRFWOWNZIQIQTQ-MGBGTMOVSA-N 1 0 631.781 5.491 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncn2)s1 ZINC000014974180 561751963 /nfs/dbraw/zinc/75/19/63/561751963.db2.gz CQFSJGBTAKTFEK-UHFFFAOYSA-N 1 0 536.661 5.749 1 0 KKAFRO CC[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(C)cc1)c1ccccc1 ZINC000017376943 561755144 /nfs/dbraw/zinc/75/51/44/561755144.db2.gz WMJNZKXMNBGMRL-GCRSFRQPSA-N 1 0 538.736 5.300 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545694 561755876 /nfs/dbraw/zinc/75/58/76/561755876.db2.gz RCSPFHBAQYBMER-QPPBQGQZSA-N 1 0 541.644 6.460 3 0 KKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017545661 561755920 /nfs/dbraw/zinc/75/59/20/561755920.db2.gz YKBLRVYOYVWBGS-VYCLJVNGSA-N 1 0 619.755 6.433 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017545647 561755939 /nfs/dbraw/zinc/75/59/39/561755939.db2.gz FHMCHSVDDFETIF-SPOSYKFASA-N 1 0 603.084 8.229 3 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545725 561755984 /nfs/dbraw/zinc/75/59/84/561755984.db2.gz VBFWTUJPDMIBLF-XMMPIXPASA-N 1 0 573.686 6.511 3 0 KKAFRO c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017577531 561756712 /nfs/dbraw/zinc/75/67/12/561756712.db2.gz SDNPBPTXZWQBPW-FDEXCQADSA-N 1 0 518.704 8.437 3 0 KKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(OC)cc1 ZINC000017655079 561757779 /nfs/dbraw/zinc/75/77/79/561757779.db2.gz SYJKXQLWHPPSOQ-SVBPBHIXSA-N 1 0 546.708 6.083 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655191 561757916 /nfs/dbraw/zinc/75/79/16/561757916.db2.gz JJCDILMKORSWRA-NSOVKSMOSA-N 1 0 559.751 6.141 1 0 KKAFRO COc1ccc([C@@H]2C=CC[N@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018155156 561758178 /nfs/dbraw/zinc/75/81/78/561758178.db2.gz PMFCRKQEBIMFMP-LQJZCPKCSA-N 1 0 526.696 6.968 1 0 KKAFRO C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)n1)c1ccccc1 ZINC000021289776 561758816 /nfs/dbraw/zinc/75/88/16/561758816.db2.gz QICPQLFMWYQJGX-SFHVURJKSA-N 1 0 506.576 6.203 1 0 in-vivo KKAFRO CN1CC[NH+](CCCOc2ccc(Nc3cc4c(cn3)cc(-c3c(Cl)cccc3Cl)c(=O)n4C)cc2)CC1 ZINC000021289506 561758924 /nfs/dbraw/zinc/75/89/24/561758924.db2.gz PQZDDSNPXGLODE-UHFFFAOYSA-N 1 0 552.506 5.667 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cc(F)cc(F)c4)C[C@H]23)CC1 ZINC000022935429 561760654 /nfs/dbraw/zinc/76/06/54/561760654.db2.gz XVMIPCZPIBRRNE-AVPJRLCVSA-N 1 0 521.027 5.349 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022940863 561761056 /nfs/dbraw/zinc/76/10/56/561761056.db2.gz PSQJTKUPFCWUEO-RUZDIDTESA-N 1 0 504.502 5.352 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952952 561761182 /nfs/dbraw/zinc/76/11/82/561761182.db2.gz OOZMZKSKADJYMS-UHFFFAOYSA-N 1 0 607.633 5.407 3 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4csc(-c5ccncc5)n4)c3)cc2C(F)(F)F)CC1 ZINC000022952970 561761267 /nfs/dbraw/zinc/76/12/67/561761267.db2.gz QQDNLIYHAPTPTP-UHFFFAOYSA-N 1 0 608.690 6.174 3 0 KKAFRO COc1ccc(CN2CC[NH+](C[C@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000023249286 561761389 /nfs/dbraw/zinc/76/13/89/561761389.db2.gz IQGSRHMTIXSIET-QFIPXVFZSA-N 1 0 587.356 5.507 1 0 KKAFRO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000023249095 561761440 /nfs/dbraw/zinc/76/14/40/561761440.db2.gz IOYOOVIEADEXNK-QFIPXVFZSA-N 1 0 575.320 5.637 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC[NH+]2CCCC2)c1Cl ZINC000023359241 561762073 /nfs/dbraw/zinc/76/20/73/561762073.db2.gz JNLUIKFYFVSZMB-UHFFFAOYSA-N 1 0 596.968 6.144 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 ZINC000025421631 561762712 /nfs/dbraw/zinc/76/27/12/561762712.db2.gz ZLVDGVNOJUFGPG-NDEPHWFRSA-N 1 0 592.693 5.817 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166172 561769208 /nfs/dbraw/zinc/76/92/08/561769208.db2.gz ANTJGNUUYFJSAJ-OFNKIYASSA-N 1 0 509.071 5.742 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026248423 561773592 /nfs/dbraw/zinc/77/35/92/561773592.db2.gz KCFRZWANFUYIQH-HSZRJFAPSA-N 1 0 570.690 5.456 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000026265292 561776207 /nfs/dbraw/zinc/77/62/07/561776207.db2.gz LRODZLSUDNSCCO-KYJUHHDHSA-N 1 0 592.180 6.048 1 0 KKAFRO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccc2F)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026271556 561777288 /nfs/dbraw/zinc/77/72/88/561777288.db2.gz YJVWVLHCKCROFB-UHFFFAOYSA-N 1 0 648.710 6.877 1 0 KKAFRO COc1ccc([C@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274267 561777880 /nfs/dbraw/zinc/77/78/80/561777880.db2.gz HNNRIVDZVTZPSR-YTTGMZPUSA-N 1 0 535.750 7.569 1 0 KKAFRO COc1ccc([C@@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274264 561777915 /nfs/dbraw/zinc/77/79/15/561777915.db2.gz HNNRIVDZVTZPSR-JGCGQSQUSA-N 1 0 535.750 7.569 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275480 561778121 /nfs/dbraw/zinc/77/81/21/561778121.db2.gz BPCHCQPFSUPHAR-WJOKGBTCSA-N 1 0 507.715 7.994 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000026291867 561780732 /nfs/dbraw/zinc/78/07/32/561780732.db2.gz ORPZVEATXOARKK-AHKZPQOWSA-N 1 0 522.649 5.030 1 0 KKAFRO O=c1cc(C2N=NN=N2)oc2cc(OCCC[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000026497875 561794708 /nfs/dbraw/zinc/79/47/08/561794708.db2.gz DYNGFQPAMLQXER-UHFFFAOYSA-N 1 0 537.620 6.042 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)/C=C/c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026380350 561783227 /nfs/dbraw/zinc/78/32/27/561783227.db2.gz DRPXOLMLXDCVBV-DIQKFAEUSA-N 1 0 511.518 6.150 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026380776 561783331 /nfs/dbraw/zinc/78/33/31/561783331.db2.gz SDEVCNUHBOAEOK-MENXEMIHSA-N 1 0 727.799 6.196 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382051 561783619 /nfs/dbraw/zinc/78/36/19/561783619.db2.gz STFUWKPSBLWGRE-BHDXBOSCSA-N 1 0 614.639 6.388 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026384966 561784125 /nfs/dbraw/zinc/78/41/25/561784125.db2.gz ROBIIVMOXBYSCB-MSEJLTFDSA-N 1 0 662.683 6.974 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026393309 561786319 /nfs/dbraw/zinc/78/63/19/561786319.db2.gz YEJHEMWKCQGGRY-UEMWQVMZSA-N 1 0 725.783 6.564 1 0 KKAFRO COc1ccc(CC[N@H+](CCCN2C=Cc3cc(OC)c(OC)cc3CC2=O)Cc2ccccc2)cc1OC ZINC000026397878 561787511 /nfs/dbraw/zinc/78/75/11/561787511.db2.gz UTFJUXXZNAZAMI-UHFFFAOYSA-N 1 0 530.665 5.211 1 0 KKAFRO COC(=O)CCCOc1ccc(-c2cc3ccccc3n2Cc2ccc(C[NH+]3CCCC3)c(OC)c2)cc1 ZINC000026404558 561789654 /nfs/dbraw/zinc/78/96/54/561789654.db2.gz RTJVSWWFXOXZBF-UHFFFAOYSA-N 1 0 512.650 6.293 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790145 /nfs/dbraw/zinc/79/01/45/561790145.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 1 0 665.798 7.101 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480443 561791638 /nfs/dbraw/zinc/79/16/38/561791638.db2.gz QHNQTSSNDKCNAC-DSLZUCJSSA-N 1 0 662.683 5.671 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026487221 561792638 /nfs/dbraw/zinc/79/26/38/561792638.db2.gz FBCSVOQZPCKHIA-CDAOMREXSA-N 1 0 629.131 5.305 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488152 561792759 /nfs/dbraw/zinc/79/27/59/561792759.db2.gz UFYKJCCSGPBIBE-HMARLWJUSA-N 1 0 663.576 5.959 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488146 561792793 /nfs/dbraw/zinc/79/27/93/561792793.db2.gz UFYKJCCSGPBIBE-DIJDIRGKSA-N 1 0 663.576 5.959 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[C@H](O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026494299 561793949 /nfs/dbraw/zinc/79/39/49/561793949.db2.gz SMDKOMCVXGUBNW-GIGWZHCTSA-N 1 0 539.141 5.605 1 0 KKAFRO CCN(C(=O)OCC1CCCCC1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496415 561794472 /nfs/dbraw/zinc/79/44/72/561794472.db2.gz MESFEGXIYUDYKI-GDLZYMKVSA-N 1 0 569.812 5.984 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026501899 561795701 /nfs/dbraw/zinc/79/57/01/561795701.db2.gz NANYKPSEZCGDPM-UUWRZZSWSA-N 1 0 631.883 7.165 1 0 KKAFRO CCN(C(=O)Oc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026506248 561796675 /nfs/dbraw/zinc/79/66/75/561796675.db2.gz IEWHJUCUTWJJSZ-HHHXNRCGSA-N 1 0 549.737 5.466 1 0 KKAFRO COc1ccc([C@@H](C[NH+](C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CCCCC2)cc1 ZINC000026569693 561797782 /nfs/dbraw/zinc/79/77/82/561797782.db2.gz KQXQFCZOBFPZGF-CGIJYQFLSA-N 1 0 538.773 6.232 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc(=O)[nH]c2)c1 ZINC000026577086 561801002 /nfs/dbraw/zinc/80/10/02/561801002.db2.gz HWUDXQFAQPNJES-WUXOVTSDSA-N 1 0 578.801 6.754 1 0 KKAFRO O=[S@]1CC2(CC[NH+](CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026577753 561802312 /nfs/dbraw/zinc/80/23/12/561802312.db2.gz HIMMHTUVMHCSMF-BUFIKQNTSA-N 1 0 577.599 5.601 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000026578543 561803536 /nfs/dbraw/zinc/80/35/36/561803536.db2.gz UNJRWDQWFXSFPO-DMSFNOBKSA-N 1 0 641.686 7.096 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000026640371 561806437 /nfs/dbraw/zinc/80/64/37/561806437.db2.gz DZNWWHDJWHTPPT-WJOKGBTCSA-N 1 0 512.719 6.514 1 0 KKAFRO O=C(c1ccccc1Br)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026656575 561809484 /nfs/dbraw/zinc/80/94/84/561809484.db2.gz ABBUEGRTOFDVBQ-AHKZPQOWSA-N 1 0 503.484 6.185 1 0 KKAFRO [NH3+]CCC[C@@H]1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc43)C(=O)[C@H]12 ZINC000026663540 561810736 /nfs/dbraw/zinc/81/07/36/561810736.db2.gz DPGNBBMMTWINDM-PKKYCPKDSA-N 1 0 554.760 5.354 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000026664505 561810912 /nfs/dbraw/zinc/81/09/12/561810912.db2.gz SXIHVUMXYLXZAL-MSYMSKFLSA-N 1 0 642.092 8.663 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH+](CC4CC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026666268 561811267 /nfs/dbraw/zinc/81/12/67/561811267.db2.gz MVPOVMMXSWJYCF-UHFFFAOYSA-N 1 0 558.912 8.404 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCOCc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026673616 561813227 /nfs/dbraw/zinc/81/32/27/561813227.db2.gz CGNVNXXLENQGRB-HUESYALOSA-N 1 0 720.867 6.641 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccncc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674627 561813574 /nfs/dbraw/zinc/81/35/74/561813574.db2.gz KUAJFMGQGXJNCK-RWYGWLOXSA-N 1 0 687.841 6.274 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674922 561813756 /nfs/dbraw/zinc/81/37/56/561813756.db2.gz XUWDLZRLAJISLR-UHFFFAOYSA-N 1 0 592.184 6.756 1 0 KKAFRO COc1ccc([C@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000026716064 561814067 /nfs/dbraw/zinc/81/40/67/561814067.db2.gz XBURWGMHOIWDHZ-HUESYALOSA-N 1 0 717.867 6.283 1 0 KKAFRO CS(=O)(=O)Oc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026717852 561814577 /nfs/dbraw/zinc/81/45/77/561814577.db2.gz PRDRZXROMYANHC-XRKRLSELSA-N 1 0 532.706 5.396 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026722855 561815552 /nfs/dbraw/zinc/81/55/52/561815552.db2.gz OOLKCFWNZIVZNS-KLWPZSMLSA-N 1 0 506.602 5.365 1 0 KKAFRO CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026727233 561816173 /nfs/dbraw/zinc/81/61/73/561816173.db2.gz QCZONXSWEXKHJH-KYJUHHDHSA-N 1 0 532.706 5.396 1 0 KKAFRO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026732156 561816721 /nfs/dbraw/zinc/81/67/21/561816721.db2.gz FAWJQUFCTSZCAC-XCZPVHLTSA-N 1 0 518.679 5.006 1 0 KKAFRO O=C1CC2(CC[NH+](CCc3cccc4ccccc43)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 ZINC000026745327 561818634 /nfs/dbraw/zinc/81/86/34/561818634.db2.gz MLGILCIYEMBRNJ-UHFFFAOYSA-N 1 0 540.685 5.824 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(NC(C)=O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026821665 561821220 /nfs/dbraw/zinc/82/12/20/561821220.db2.gz RRWIDIYXIZDDHB-UHFFFAOYSA-N 1 0 550.646 5.737 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 ZINC000026821714 561821312 /nfs/dbraw/zinc/82/13/12/561821312.db2.gz NGYXFSALIODLKO-OCBJUFRSSA-N 1 0 704.750 5.297 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc(Cl)c(Cl)c2)c1 ZINC000026830176 561822753 /nfs/dbraw/zinc/82/27/53/561822753.db2.gz SXKVOXCVLIJCBZ-IZZNHLLZSA-N 1 0 532.515 7.164 1 0 KKAFRO C[C@](CC[NH+]1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 ZINC000026839074 561825198 /nfs/dbraw/zinc/82/51/98/561825198.db2.gz FGFRONXSKVOYOY-FJQKOURKSA-N 1 0 569.149 6.512 1 0 KKAFRO O=C(NCC[NH+]1CCCC1)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840438 561825575 /nfs/dbraw/zinc/82/55/75/561825575.db2.gz UCNDRGGJCFHDEO-DHUJRADRSA-N 1 0 580.704 5.590 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3ccccc3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026841043 561825910 /nfs/dbraw/zinc/82/59/10/561825910.db2.gz HMVLNQGQWYEOQC-KOUYFHPOSA-N 1 0 500.595 6.328 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026845486 561826377 /nfs/dbraw/zinc/82/63/77/561826377.db2.gz NPGJNUNXJQWHMD-MUUNZHRXSA-N 1 0 510.769 6.277 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845880 561826493 /nfs/dbraw/zinc/82/64/93/561826493.db2.gz ANCRAJKTKYCZOD-WJOKGBTCSA-N 1 0 625.597 5.291 1 0 KKAFRO COc1cc(CC(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846809 561826655 /nfs/dbraw/zinc/82/66/55/561826655.db2.gz STZNIAPDQODKPV-SSEXGKCCSA-N 1 0 669.650 5.228 1 0 KKAFRO O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026850252 561827120 /nfs/dbraw/zinc/82/71/20/561827120.db2.gz NFINVMQZKQTXKJ-XRQFBBPYSA-N 1 0 589.736 5.325 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1C(=O)OC(C)C ZINC000026956186 561829235 /nfs/dbraw/zinc/82/92/35/561829235.db2.gz ZICOEXZCJKMWFV-NPJIAGGLSA-N 1 0 542.101 6.438 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)O2 ZINC000026964833 561829903 /nfs/dbraw/zinc/82/99/03/561829903.db2.gz GQGOLCRNYNRGTM-AHWNHTMQSA-N 1 0 612.792 7.142 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967744 561830012 /nfs/dbraw/zinc/83/00/12/561830012.db2.gz NQZHGOYXVGZNDV-VWLOTQADSA-N 1 0 594.030 6.452 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000026966896 561830019 /nfs/dbraw/zinc/83/00/19/561830019.db2.gz ZNXPJTFTPLLCKK-VWLOTQADSA-N 1 0 559.585 5.799 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967735 561830062 /nfs/dbraw/zinc/83/00/62/561830062.db2.gz NQZHGOYXVGZNDV-RUZDIDTESA-N 1 0 594.030 6.452 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026979315 561831152 /nfs/dbraw/zinc/83/11/52/561831152.db2.gz SIIMYHKMMDKZOK-SBXHHDGASA-N 1 0 561.626 6.415 1 0 KKAFRO CC(=O)c1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000026982312 561831449 /nfs/dbraw/zinc/83/14/49/561831449.db2.gz WJPAHTHQLGSMQT-XNPSPRNGSA-N 1 0 604.839 7.664 1 0 KKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027095591 561837991 /nfs/dbraw/zinc/83/79/91/561837991.db2.gz VQQDNJPWCBDBIN-RAWUVJNISA-N 1 0 518.657 5.489 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105032 561839877 /nfs/dbraw/zinc/83/98/77/561839877.db2.gz PCDOWAYMDIDVIY-GDLZYMKVSA-N 1 0 665.279 5.030 1 0 KKAFRO C[C@H](C[C@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179906 561841622 /nfs/dbraw/zinc/84/16/22/561841622.db2.gz ONTDQIVDLLQOGA-OFSOJUDTSA-N 1 0 519.751 6.263 1 0 KKAFRO COc1ccc(CCCCN2C(=O)N(CC[NH+]3CCCC3)C(=O)[C@@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000027180512 561841701 /nfs/dbraw/zinc/84/17/01/561841701.db2.gz UPULWNSZJPTRND-YTTGMZPUSA-N 1 0 555.719 5.568 1 0 KKAFRO C[N@@H+](Cc1ccccc1)C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000027185102 561842473 /nfs/dbraw/zinc/84/24/73/561842473.db2.gz SJUGCLVDTCIDMC-JKMYNKRXSA-N 1 0 572.753 6.469 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccccc1 ZINC000027207862 561846320 /nfs/dbraw/zinc/84/63/20/561846320.db2.gz AKRLDNUSUDYWEE-ICYKMPLBSA-N 1 0 505.605 6.098 1 0 KKAFRO O=C(NCCc1ccc(F)cc1)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027212855 561847527 /nfs/dbraw/zinc/84/75/27/561847527.db2.gz GFNXQKRIPFSWCM-UHFFFAOYSA-N 1 0 614.205 7.071 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)[N@@H+]2C ZINC000027215912 561848378 /nfs/dbraw/zinc/84/83/78/561848378.db2.gz QJWIKJQDFYXPFY-JSXRDJHFSA-N 1 0 523.265 5.342 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCCC2)cn3Cc2ccccc2F)cc1 ZINC000027326121 561853580 /nfs/dbraw/zinc/85/35/80/561853580.db2.gz DLRXDIPMXJSRQO-UHFFFAOYSA-N 1 0 676.837 6.826 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CC[NH+](CC)CC)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027325830 561853588 /nfs/dbraw/zinc/85/35/88/561853588.db2.gz IVISFMVSDRFNIO-UHFFFAOYSA-N 1 0 659.847 6.813 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027410760 561856333 /nfs/dbraw/zinc/85/63/33/561856333.db2.gz AUBQUXYCNPBQLF-IICADGIISA-N 1 0 707.916 5.782 1 0 KKAFRO CC(=O)O[C@@H]1C[C@H]2C(C)(C)/C(=N/OCC[NH+]3CCCC3)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412529 561856553 /nfs/dbraw/zinc/85/65/53/561856553.db2.gz ATEHWGPRICGPOU-BVGPPCAOSA-N 1 0 548.768 7.138 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433183 561859728 /nfs/dbraw/zinc/85/97/28/561859728.db2.gz NVDGAAUKTHPFSV-LJAQVGFWSA-N 1 0 558.785 5.979 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027440925 561860670 /nfs/dbraw/zinc/86/06/70/561860670.db2.gz LUZCMPFRWPPMHW-ZDERHKTGSA-N 1 0 603.188 5.876 1 0 KKAFRO CN(C[C@H](c1ccc2c(c1)OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027442298 561860973 /nfs/dbraw/zinc/86/09/73/561860973.db2.gz XYBXCIWXRFPEBP-RUZDIDTESA-N 1 0 599.616 6.145 1 0 KKAFRO COc1ccc([C@@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c(OC)c1OC ZINC000027517360 561861180 /nfs/dbraw/zinc/86/11/80/561861180.db2.gz NTIPCTPRHXCHTR-AREMUKBSSA-N 1 0 645.685 6.443 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)sn1 ZINC000027517612 561861346 /nfs/dbraw/zinc/86/13/46/561861346.db2.gz LGWAVKYZALCEPM-HXUWFJFHSA-N 1 0 551.112 6.394 1 0 KKAFRO CN(C[C@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517648 561861414 /nfs/dbraw/zinc/86/14/14/561861414.db2.gz QZMOFNPUSZXVHM-MHZLTWQESA-N 1 0 569.634 6.287 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000027518233 561862083 /nfs/dbraw/zinc/86/20/83/561862083.db2.gz NJFJLIABUZMOAH-VWLOTQADSA-N 1 0 571.606 6.083 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027518421 561862242 /nfs/dbraw/zinc/86/22/42/561862242.db2.gz LQUHPSCNOVBDIJ-UVQZXEQTSA-N 1 0 603.188 5.876 1 0 KKAFRO COc1nccc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000027518726 561862541 /nfs/dbraw/zinc/86/25/41/561862541.db2.gz XXYLCUQADTZZOZ-FQEVSTJZSA-N 1 0 562.070 5.427 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000027519294 561863053 /nfs/dbraw/zinc/86/30/53/561863053.db2.gz AINQVQKSQFDZMT-XJEPXIRSSA-N 1 0 547.655 5.490 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000027519289 561863076 /nfs/dbraw/zinc/86/30/76/561863076.db2.gz GGBQHCPYXMONLA-XJEPXIRSSA-N 1 0 553.684 5.030 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027522644 561864592 /nfs/dbraw/zinc/86/45/92/561864592.db2.gz POQAFSKCCQVOAP-RBISFHTESA-N 1 0 569.681 5.215 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000027520002 561863392 /nfs/dbraw/zinc/86/33/92/561863392.db2.gz YUSXAXXYSSHTFP-RMGBUHPMSA-N 1 0 577.681 5.499 1 0 KKAFRO CCc1cccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000027520436 561863545 /nfs/dbraw/zinc/86/35/45/561863545.db2.gz HMWXVRNYPUAKEU-CMTCRBLHSA-N 1 0 545.683 6.044 1 0 KKAFRO Cc1cc(I)cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546620 561866890 /nfs/dbraw/zinc/86/68/90/561866890.db2.gz LLUKLOGVWWPZKG-WUFINQPMSA-N 1 0 523.458 6.411 1 0 KKAFRO Cc1cc(I)cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546616 561866903 /nfs/dbraw/zinc/86/69/03/561866903.db2.gz LLUKLOGVWWPZKG-IZLXSDGUSA-N 1 0 523.458 6.411 1 0 KKAFRO C[C@@H](CCN1CCN([C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1=O)c1ccccc1 ZINC000027554638 561869090 /nfs/dbraw/zinc/86/90/90/561869090.db2.gz GFRYRGUIMFBXBH-NZWZHHCMSA-N 1 0 603.808 5.527 1 0 KKAFRO C[NH2+]Cc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F ZINC000027562278 561870981 /nfs/dbraw/zinc/87/09/81/561870981.db2.gz UYYJSSZRKZXYHL-UHFFFAOYSA-N 1 0 546.546 5.072 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621308 561872498 /nfs/dbraw/zinc/87/24/98/561872498.db2.gz ASSBEMCEDOONKS-JGCGQSQUSA-N 1 0 597.631 5.465 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1 ZINC000027630998 561873791 /nfs/dbraw/zinc/87/37/91/561873791.db2.gz AAQGLVFLWHWSKW-MGBGTMOVSA-N 1 0 677.912 5.343 1 0 KKAFRO C[C@H](CC[NH+]1CCC(C)CC1)[C@H](C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1 ZINC000027646489 561875943 /nfs/dbraw/zinc/87/59/43/561875943.db2.gz YGWIZVNCKBJGHU-SJORKVTESA-N 1 0 563.421 6.860 1 0 KKAFRO O=C(CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000027656390 561877612 /nfs/dbraw/zinc/87/76/12/561877612.db2.gz HGWNJTDOLATDDT-YIQDYSAESA-N 1 0 553.816 6.943 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCCCCCCCCCCCCCCCOC)C1 ZINC000027739420 561882281 /nfs/dbraw/zinc/88/22/81/561882281.db2.gz GMHWSJTUCKIFIV-CDZUIXILSA-N 1 0 577.827 6.966 1 0 KKAFRO CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000027842961 561885118 /nfs/dbraw/zinc/88/51/18/561885118.db2.gz VYJGHVYOHOQBSU-AJQTZOPKSA-N 1 0 581.782 5.508 1 0 KKAFRO C[NH+]1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027871516 561888344 /nfs/dbraw/zinc/88/83/44/561888344.db2.gz MJUUSDJPFULYNQ-UHFFFAOYSA-N 1 0 630.192 7.017 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)OCC[NH+](C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027873983 561888529 /nfs/dbraw/zinc/88/85/29/561888529.db2.gz IZZPVNBZSGTVFV-AJGLSPHZSA-N 1 0 557.860 7.825 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3ccccc3C)CC1)(c1ccc(F)cc1)OCC2 ZINC000027889695 561889807 /nfs/dbraw/zinc/88/98/07/561889807.db2.gz XPBIPWRGNPLCGP-WJOKGBTCSA-N 1 0 504.646 5.570 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cc4ccccc4[nH]3)CO2)CC1 ZINC000027989776 561892776 /nfs/dbraw/zinc/89/27/76/561892776.db2.gz QPULUEHOZQYSDU-YTTGMZPUSA-N 1 0 591.539 5.709 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2ccc3cnccc3c2)c1 ZINC000027903441 561891233 /nfs/dbraw/zinc/89/12/33/561891233.db2.gz LJDLFSDWVDLEPN-QUYLBPGCSA-N 1 0 612.862 8.757 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccc(Cl)cc3)CO2)CC1 ZINC000027989781 561892813 /nfs/dbraw/zinc/89/28/13/561892813.db2.gz KYKAALGSGIPLHG-PMERELPUSA-N 1 0 586.947 5.881 1 0 KKAFRO CON[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986294 561892300 /nfs/dbraw/zinc/89/23/00/561892300.db2.gz IFPPRPWFEFODEU-GGXMVOPNSA-N 1 0 679.529 8.225 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016766 561897536 /nfs/dbraw/zinc/89/75/36/561897536.db2.gz RAYOIOHGOVQFJQ-XQJICNLXSA-N 1 0 574.785 6.336 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000027997727 561893978 /nfs/dbraw/zinc/89/39/78/561893978.db2.gz SFGQAHFNACREIN-UMSFTDKQSA-N 1 0 624.609 5.944 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027997496 561894048 /nfs/dbraw/zinc/89/40/48/561894048.db2.gz KCKZQDGTIBXQNS-UHFFFAOYSA-N 1 0 539.720 8.332 1 0 KKAFRO Cc1cc(OCc2ccc(C(C)(C)C)cc2)cc(C)c1C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000028002428 561894974 /nfs/dbraw/zinc/89/49/74/561894974.db2.gz FOEBZCFJODUQDF-OOWIMERYSA-N 1 0 543.752 5.303 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028003682 561895246 /nfs/dbraw/zinc/89/52/46/561895246.db2.gz XVFLNEOASJKKFX-YTTGMZPUSA-N 1 0 544.717 6.607 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028005977 561895518 /nfs/dbraw/zinc/89/55/18/561895518.db2.gz KUMDPCIGXPKGHU-WJOKGBTCSA-N 1 0 566.720 5.822 1 0 KKAFRO CCn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008054 561896002 /nfs/dbraw/zinc/89/60/02/561896002.db2.gz LOUCFMTWTFVRPW-GABYNLOESA-N 1 0 582.833 6.617 1 0 KKAFRO CC(=O)NCC1(c2ccccc2)CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028008943 561896124 /nfs/dbraw/zinc/89/61/24/561896124.db2.gz BMDLZZBNFZPPNM-MHZLTWQESA-N 1 0 566.573 6.409 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000028010347 561896281 /nfs/dbraw/zinc/89/62/81/561896281.db2.gz WUXORFQPVDBBOK-UHFFFAOYSA-N 1 0 507.588 6.827 1 0 KKAFRO N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012968 561896694 /nfs/dbraw/zinc/89/66/94/561896694.db2.gz NRXLSVZBUARMKR-CUGVKSGVSA-N 1 0 599.697 7.048 1 0 KKAFRO CCn1nc(Cc2ccc(F)cc2F)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013334 561896737 /nfs/dbraw/zinc/89/67/37/561896737.db2.gz FMXSKMJVOKFBNU-IUGUYLHOSA-N 1 0 582.711 5.915 1 0 KKAFRO CCOC(=O)Oc1c(OC)cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC000028020530 561898452 /nfs/dbraw/zinc/89/84/52/561898452.db2.gz FGMDMAIELUZENW-PGUFJCEWSA-N 1 0 698.644 6.239 1 0 KKAFRO COc1ccc(OCCCC[N@H+](CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022582 561898775 /nfs/dbraw/zinc/89/87/75/561898775.db2.gz GYDKIIUOVCRNTP-UMSFTDKQSA-N 1 0 608.801 6.991 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccccc1 ZINC000028108358 561902680 /nfs/dbraw/zinc/90/26/80/561902680.db2.gz SDHHOFBLTRTNNH-AOYPEHQESA-N 1 0 516.605 5.248 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028086502 561899085 /nfs/dbraw/zinc/89/90/85/561899085.db2.gz ZKGRNGWUBQYAGP-YTTGMZPUSA-N 1 0 610.582 5.704 1 0 KKAFRO CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C1=[NH+]CCS1 ZINC000028087141 561899254 /nfs/dbraw/zinc/89/92/54/561899254.db2.gz ADGAJIWADBZGQI-UHFFFAOYSA-N 1 0 514.438 5.428 1 0 KKAFRO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086869 561899263 /nfs/dbraw/zinc/89/92/63/561899263.db2.gz NUGQFYBHPBBTJL-HMQVCXRFSA-N 1 0 618.838 6.814 1 0 KKAFRO COc1ccc(CCNC(=O)c2ccc3c(c2)nc(-c2ccc(OCC(=O)NCCC[NH+](C)C)cc2)n3C2CCCCC2)cc1OC ZINC000028089865 561899658 /nfs/dbraw/zinc/89/96/58/561899658.db2.gz YOLNYVZKZKKTTJ-UHFFFAOYSA-N 1 0 641.813 5.645 1 0 KKAFRO COc1ccc(OCCCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028090953 561899976 /nfs/dbraw/zinc/89/99/76/561899976.db2.gz BMKMLQSUONUBTC-BHVANESWSA-N 1 0 633.855 6.669 1 0 KKAFRO CC(=[NH2+])N(C)CCN(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094879 561900612 /nfs/dbraw/zinc/90/06/12/561900612.db2.gz NOISQJMTOKEJSD-UHFFFAOYSA-N 1 0 527.456 5.254 1 0 KKAFRO C[N@H+](CCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109984 561902900 /nfs/dbraw/zinc/90/29/00/561902900.db2.gz LRGAOOBYJCRZOE-JGCGQSQUSA-N 1 0 586.761 7.719 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028112193 561903198 /nfs/dbraw/zinc/90/31/98/561903198.db2.gz BRXPRAJZVJZRHT-HXUWFJFHSA-N 1 0 572.408 7.546 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028114592 561903454 /nfs/dbraw/zinc/90/34/54/561903454.db2.gz XWTXCJZHFFXBFP-OAQYLSRUSA-N 1 0 571.515 7.258 1 0 KKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118208 561904128 /nfs/dbraw/zinc/90/41/28/561904128.db2.gz DVSQLFNJLACVQQ-NRFANRHFSA-N 1 0 530.927 8.141 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124718 561904764 /nfs/dbraw/zinc/90/47/64/561904764.db2.gz CZSUCMAQMLGPBX-FIRIVFDPSA-N 1 0 627.151 6.931 1 0 KKAFRO NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000028124892 561904807 /nfs/dbraw/zinc/90/48/07/561904807.db2.gz BHFJQXAFTZBCCB-PSXMRANNSA-N 1 0 660.859 5.342 1 0 KKAFRO CCCCn1c2ccccc2n(C2CC[NH+](C[C@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127752 561905283 /nfs/dbraw/zinc/90/52/83/561905283.db2.gz ATZFNPDRRIDACJ-MHZLTWQESA-N 1 0 619.210 5.031 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC1CCCCC1)C(C)C ZINC000028130944 561905657 /nfs/dbraw/zinc/90/56/57/561905657.db2.gz JDVRYZBTMIOYJB-PMERELPUSA-N 1 0 535.729 5.869 1 0 KKAFRO O=C1c2c(-c3ccccc3)cc(N3CCC([NH+]4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028132093 561905961 /nfs/dbraw/zinc/90/59/61/561905961.db2.gz AFBDOVSBEISTQY-UHFFFAOYSA-N 1 0 632.649 7.276 1 0 KKAFRO CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000028136737 561906697 /nfs/dbraw/zinc/90/66/97/561906697.db2.gz TYCHPBQYNABPSC-XZWHSSHBSA-N 1 0 590.690 6.161 1 0 KKAFRO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136680 561906716 /nfs/dbraw/zinc/90/67/16/561906716.db2.gz SXVLTSDSQOWRHK-WUFINQPMSA-N 1 0 569.190 5.308 1 0 KKAFRO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136604 561906747 /nfs/dbraw/zinc/90/67/47/561906747.db2.gz SKWFXNIWDGEMBS-RPWUZVMVSA-N 1 0 591.744 6.070 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N(C)Cc3ccccc3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028238501 561910132 /nfs/dbraw/zinc/91/01/32/561910132.db2.gz HKEIZDYCHZJQBJ-UHFFFAOYSA-N 1 0 509.560 6.322 1 0 KKAFRO [NH2+]=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1)N1CCCC1 ZINC000028245394 561910672 /nfs/dbraw/zinc/91/06/72/561910672.db2.gz WTUFYGNICPXDEV-UHFFFAOYSA-N 1 0 529.925 6.510 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028246107 561910716 /nfs/dbraw/zinc/91/07/16/561910716.db2.gz ZFIQNBKRRUQXAK-JLHYYAGUSA-N 1 0 514.069 5.960 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccc(OC)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028248321 561910870 /nfs/dbraw/zinc/91/08/70/561910870.db2.gz DVRDBLNROJDZCT-UHFFFAOYSA-N 1 0 639.724 6.857 1 0 KKAFRO CC(=O)[C@@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000028340848 561914052 /nfs/dbraw/zinc/91/40/52/561914052.db2.gz YZNDAQVUGOIYLF-SAIUNTKASA-N 1 0 569.746 5.299 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OCc1ccccc1)C(C)C ZINC000028341559 561914083 /nfs/dbraw/zinc/91/40/83/561914083.db2.gz YIRPXDXDTLSTJD-HKBQPEDESA-N 1 0 543.708 5.737 1 0 KKAFRO COc1cccc(-n2c(=O)c3c(C[N@H+](C)Cc4ccccc4)c(-c4ccc(N)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028238286 561910028 /nfs/dbraw/zinc/91/00/28/561910028.db2.gz JHYVSULGTMMINX-UHFFFAOYSA-N 1 0 624.713 6.430 1 0 KKAFRO CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028348184 561915126 /nfs/dbraw/zinc/91/51/26/561915126.db2.gz RDGUKBGMEDUEDL-UHFFFAOYSA-N 1 0 533.738 5.308 1 0 KKAFRO O=C1[C@@H]2C[C@@H]([NH2+]CCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028361662 561916906 /nfs/dbraw/zinc/91/69/06/561916906.db2.gz KEGIKKGRRNLCNC-VWNXMTODSA-N 1 0 559.291 6.165 1 0 KKAFRO C[C@@H]1CCC[N@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028383252 561920547 /nfs/dbraw/zinc/92/05/47/561920547.db2.gz JAYXLGPKVKAOEV-MRXNPFEDSA-N 1 0 553.046 6.746 1 0 KKAFRO CC(=O)Nc1cccc(C(=O)N(C)C[C@H](CC[NH+]2CCC(O)(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028363684 561917222 /nfs/dbraw/zinc/91/72/22/561917222.db2.gz NGTJEYANAKBOTK-VWLOTQADSA-N 1 0 568.545 6.181 1 0 KKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000028365709 561917524 /nfs/dbraw/zinc/91/75/24/561917524.db2.gz WCZIRCBKZXVRQX-UHFFFAOYSA-N 1 0 519.645 6.009 1 0 KKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(I)cc1 ZINC000028365772 561917600 /nfs/dbraw/zinc/91/76/00/561917600.db2.gz BAAFZQVTYFJGCP-UHFFFAOYSA-N 1 0 583.131 5.283 1 0 KKAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@@H](O)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028366227 561917679 /nfs/dbraw/zinc/91/76/79/561917679.db2.gz HTOZTDPNNYZTSI-XDZOPTLVSA-N 1 0 535.773 5.246 1 0 KKAFRO CN(CC[NH+](C)C)CC(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028367640 561917871 /nfs/dbraw/zinc/91/78/71/561917871.db2.gz YNTFUKIPLJHHGL-UHFFFAOYSA-N 1 0 605.082 6.156 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCC4(CC3)OCCO4)cc2)cc1 ZINC000028373565 561918726 /nfs/dbraw/zinc/91/87/26/561918726.db2.gz FBRWJFIIKLEIOI-WUFINQPMSA-N 1 0 521.635 5.283 1 0 KKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4C(F)(F)F)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028376125 561919206 /nfs/dbraw/zinc/91/92/06/561919206.db2.gz MCJLOYYNBXRALH-UHFFFAOYSA-N 1 0 501.545 5.740 1 0 KKAFRO CC[NH+](CC)C[C@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028378286 561919520 /nfs/dbraw/zinc/91/95/20/561919520.db2.gz QLZFEFLJXAQBPU-HNNXBMFYSA-N 1 0 500.970 5.368 1 0 KKAFRO CC[NH+](CC)C[C@@H](O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028378279 561919556 /nfs/dbraw/zinc/91/95/56/561919556.db2.gz QLZFEFLJXAQBPU-OAHLLOKOSA-N 1 0 500.970 5.368 1 0 KKAFRO COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCC[NH+](C(C)C)C(C)C ZINC000028386378 561921036 /nfs/dbraw/zinc/92/10/36/561921036.db2.gz PUUUAFLSKCWIHG-UHFFFAOYSA-N 1 0 613.763 5.672 1 0 KKAFRO CCNC(=O)c1ccc(C(c2cccc(-c3nn[nH]n3)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922787 /nfs/dbraw/zinc/92/27/87/561922787.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 1 0 510.667 5.307 1 0 KKAFRO C[N@H+](CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)CCCOc1ccc(Br)cc1Br ZINC000028397476 561923297 /nfs/dbraw/zinc/92/32/97/561923297.db2.gz YDUDLBFOGIOYQW-UHFFFAOYSA-N 1 0 567.244 6.143 1 0 KKAFRO CCOC(=O)c1cc(C(=O)N2CCC(c3cc(C[NH3+])ccc3F)CC2)cc(-c2nc(-c3cccs3)no2)c1 ZINC000028455315 561923401 /nfs/dbraw/zinc/92/34/01/561923401.db2.gz NVWMYYSQEIFDAY-UHFFFAOYSA-N 1 0 534.613 5.259 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[N@H+](C)CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455359 561923616 /nfs/dbraw/zinc/92/36/16/561923616.db2.gz LPZBXKUELQDVOX-OGZQLISNSA-N 1 0 635.205 6.358 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)N(C)C(=O)[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455346 561923638 /nfs/dbraw/zinc/92/36/38/561923638.db2.gz VMDMREAZDDFEQM-GYBHTYNJSA-N 1 0 635.205 6.358 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000028468792 561926560 /nfs/dbraw/zinc/92/65/60/561926560.db2.gz RPJZHDKOKSGFON-KZGFNGFISA-N 1 0 525.524 5.894 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000028458132 561924446 /nfs/dbraw/zinc/92/44/46/561924446.db2.gz DLAOGKDWAZOHKZ-JGCGQSQUSA-N 1 0 574.766 6.063 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000028459968 561924912 /nfs/dbraw/zinc/92/49/12/561924912.db2.gz DGRIKUBKESWIOD-WJOKGBTCSA-N 1 0 558.673 6.192 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461375 561925270 /nfs/dbraw/zinc/92/52/70/561925270.db2.gz JPRKCJZGKZFHOW-PDBIIMFESA-N 1 0 609.167 6.235 1 0 KKAFRO COc1ccc(C[C@@H]2[C@H](OC(=O)NC3CC[NH+](Cc4ccccc4)CC3)[C@@H](O)CN2C(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000028461300 561925284 /nfs/dbraw/zinc/92/52/84/561925284.db2.gz XDXIMRIGULSUCL-DNNYKULVSA-N 1 0 712.165 6.815 1 0 KKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(Cl)cc1Cl ZINC000028462585 561925523 /nfs/dbraw/zinc/92/55/23/561925523.db2.gz TVXDHFKNGKNDCM-UHFFFAOYSA-N 1 0 545.436 8.059 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028468435 561926638 /nfs/dbraw/zinc/92/66/38/561926638.db2.gz ITZBNMYCADUWJP-FQEVSTJZSA-N 1 0 511.497 5.648 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(F)cc3F)c2=O)cc1 ZINC000028464913 561926063 /nfs/dbraw/zinc/92/60/63/561926063.db2.gz ZGCRJQMFGZRDON-LHXLBICKSA-N 1 0 625.141 5.764 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2cccnc21 ZINC000028473851 561927496 /nfs/dbraw/zinc/92/74/96/561927496.db2.gz BJNIWMAHXDJWJS-OAQYLSRUSA-N 1 0 511.497 5.648 1 0 KKAFRO CC(C)Oc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028477186 561928404 /nfs/dbraw/zinc/92/84/04/561928404.db2.gz RVHJCDMUNHOSHG-DEOSSOPVSA-N 1 0 559.535 5.510 1 0 KKAFRO Clc1ccc(-n2cncn2)c(Cc2nc3c(ccnc3NCC[C@H]3CCCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000028528032 561932666 /nfs/dbraw/zinc/93/26/66/561932666.db2.gz ANKIJLVYTUKGJM-XMMPIXPASA-N 1 0 528.060 5.904 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028520923 561929073 /nfs/dbraw/zinc/92/90/73/561929073.db2.gz DUOZOTAOARWKFC-WJOKGBTCSA-N 1 0 651.660 6.574 1 0 KKAFRO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000028521014 561929222 /nfs/dbraw/zinc/92/92/22/561929222.db2.gz UPNXDUCBUZNMCB-WJOKGBTCSA-N 1 0 535.644 5.625 1 0 KKAFRO Cc1cc(C)cc(NC(=O)NC[C@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028521799 561929479 /nfs/dbraw/zinc/92/94/79/561929479.db2.gz DDHJYTODSBZYIU-JGCGQSQUSA-N 1 0 510.726 6.784 1 0 KKAFRO CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522888 561929695 /nfs/dbraw/zinc/92/96/95/561929695.db2.gz WVCVAYYNQLGCHZ-HHHXNRCGSA-N 1 0 530.679 6.816 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930391 /nfs/dbraw/zinc/93/03/91/561930391.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 1 0 580.748 6.679 1 0 KKAFRO C[C@@H](Nc1nccc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1 ZINC000028524219 561930734 /nfs/dbraw/zinc/93/07/34/561930734.db2.gz PWAHBXWDGRAANY-QGZVFWFLSA-N 1 0 522.550 6.399 1 0 KKAFRO CCCCCCc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028525321 561931156 /nfs/dbraw/zinc/93/11/56/561931156.db2.gz MSGFUWGUNJJZIQ-QNGWXLTQSA-N 1 0 653.914 8.190 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000028525320 561931213 /nfs/dbraw/zinc/93/12/13/561931213.db2.gz ZEVDNNXLGPCLBE-HKBQPEDESA-N 1 0 605.732 6.346 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000028529028 561933568 /nfs/dbraw/zinc/93/35/68/561933568.db2.gz QKNIXSWGUKMPBD-XIFFEERXSA-N 1 0 617.856 6.152 1 0 KKAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCN3c4ccccc4CCCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568398 561937268 /nfs/dbraw/zinc/93/72/68/561937268.db2.gz GTZSQZPMHIHCCP-UHFFFAOYSA-N 1 0 503.613 5.065 1 0 KKAFRO O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000028572004 561939634 /nfs/dbraw/zinc/93/96/34/561939634.db2.gz QEWJDKVCDFGZSN-LOSJGSFVSA-N 1 0 528.043 6.101 1 0 KKAFRO CC1(F)CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028572082 561939730 /nfs/dbraw/zinc/93/97/30/561939730.db2.gz LQAUSOVDKYFMFH-IZZNHLLZSA-N 1 0 524.080 6.193 1 0 KKAFRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000028572289 561939877 /nfs/dbraw/zinc/93/98/77/561939877.db2.gz KAZCVKAOXNOPOL-BDTNDASRSA-N 1 0 500.590 5.331 1 0 KKAFRO O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH2+]C3CC3)ccc21 ZINC000028572642 561940248 /nfs/dbraw/zinc/94/02/48/561940248.db2.gz FFKACDXBYOADOF-JYFHCDHNSA-N 1 0 549.659 5.085 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(C(=O)N4CCSCC4)cc3)cc2)cc1 ZINC000028604450 561940688 /nfs/dbraw/zinc/94/06/88/561940688.db2.gz WTMDLVOLKMVHAS-UHFFFAOYSA-N 1 0 641.966 8.820 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)cc1 ZINC000028604451 561940707 /nfs/dbraw/zinc/94/07/07/561940707.db2.gz PYSGQCOKXFGSLG-UHFFFAOYSA-N 1 0 645.932 9.561 1 0 KKAFRO Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028636657 561941469 /nfs/dbraw/zinc/94/14/69/561941469.db2.gz KJMRUOOAHNCZDI-SSEXGKCCSA-N 1 0 559.718 5.520 1 0 KKAFRO O=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)C[NH2+]C[C@H]1CCCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000028640518 561942844 /nfs/dbraw/zinc/94/28/44/561942844.db2.gz LDBKYPUSVXWURX-PGUFJCEWSA-N 1 0 603.807 6.144 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1 ZINC000028642815 561943840 /nfs/dbraw/zinc/94/38/40/561943840.db2.gz SDHWXODIKXBHDY-JWQCQUIFSA-N 1 0 592.108 5.556 1 0 KKAFRO CC(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028642909 561943930 /nfs/dbraw/zinc/94/39/30/561943930.db2.gz XXIKNRGNOGONCG-CLJLJLNGSA-N 1 0 593.643 5.392 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000028643226 561944041 /nfs/dbraw/zinc/94/40/41/561944041.db2.gz LCPFUXDPAADHMG-JWQCQUIFSA-N 1 0 556.128 5.278 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000028644459 561944313 /nfs/dbraw/zinc/94/43/13/561944313.db2.gz OHGGUUKIECOCBN-CLJLJLNGSA-N 1 0 590.573 5.931 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(C[NH2+]C3CCCCC3)ccc21 ZINC000028644852 561944451 /nfs/dbraw/zinc/94/44/51/561944451.db2.gz VMHWKJXFQNGBJT-CZNDPXEESA-N 1 0 597.781 6.312 1 0 KKAFRO C[C@H]1C[C@@H]([N@@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C[C@H]1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645333 561944560 /nfs/dbraw/zinc/94/45/60/561944560.db2.gz PAOZKBONXKGCEU-BLNSJUIPSA-N 1 0 550.587 7.062 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645289 561944575 /nfs/dbraw/zinc/94/45/75/561944575.db2.gz BSGKYQFTDXUWSC-ZJSXRUAMSA-N 1 0 512.538 6.779 1 0 KKAFRO NC(=[NH2+])N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000028645061 561944583 /nfs/dbraw/zinc/94/45/83/561944583.db2.gz YOMBHMYQOKCDGO-LJAQVGFWSA-N 1 0 516.686 5.196 1 0 KKAFRO Cc1ccc(C2CC[NH+](CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)C(C)C ZINC000028710180 561951086 /nfs/dbraw/zinc/95/10/86/561951086.db2.gz GMRMXYCDJXDFFA-UHFFFAOYSA-N 1 0 511.710 6.107 1 0 KKAFRO COC(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702821 561947285 /nfs/dbraw/zinc/94/72/85/561947285.db2.gz SFMLSDLMRDESKD-QHCPKHFHSA-N 1 0 628.639 7.029 1 0 KKAFRO CC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704050 561948132 /nfs/dbraw/zinc/94/81/32/561948132.db2.gz WZPMKCZRNPIWHY-JEDUBMGFSA-N 1 0 514.607 6.716 1 0 KKAFRO CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704068 561948311 /nfs/dbraw/zinc/94/83/11/561948311.db2.gz NGECIXLOAVQTKQ-DUBVAAOESA-N 1 0 542.661 7.352 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704058 561948315 /nfs/dbraw/zinc/94/83/15/561948315.db2.gz BWWUOZUJVUFGJV-KAXVLVORSA-N 1 0 528.634 6.962 1 0 KKAFRO O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000028704483 561948564 /nfs/dbraw/zinc/94/85/64/561948564.db2.gz BAFGXZMFFXRBQV-WJOKGBTCSA-N 1 0 563.677 5.888 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-n5cccc5)cc4)CC3)C2=O)c1 ZINC000028704489 561948585 /nfs/dbraw/zinc/94/85/85/561948585.db2.gz SPUNALFSCHUGOA-UHFFFAOYSA-N 1 0 538.623 5.629 1 0 KKAFRO C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC[NH+](C)C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000028707766 561950224 /nfs/dbraw/zinc/95/02/24/561950224.db2.gz HSGWCZXIIMAGHE-XMMPIXPASA-N 1 0 548.662 5.886 1 0 KKAFRO CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CC[NH+](CC5CCOCC5)CC4)CCCC3)sc2c1 ZINC000028711709 561952321 /nfs/dbraw/zinc/95/23/21/561952321.db2.gz XASFNZQMINANHS-UUWRZZSWSA-N 1 0 701.978 5.772 1 0 KKAFRO CC[N@@H+]1CCC[C@H](CCn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2OC)C1 ZINC000028711913 561952451 /nfs/dbraw/zinc/95/24/51/561952451.db2.gz XLXKUHJSJAEFMA-OAQYLSRUSA-N 1 0 502.058 6.515 1 0 KKAFRO O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)c1nn(-c2ccccn2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711995 561952633 /nfs/dbraw/zinc/95/26/33/561952633.db2.gz ORKQIUFOLCPTAN-UHFFFAOYSA-N 1 0 608.928 5.367 1 0 KKAFRO COc1ccc(C2=NO[C@@H](CCC[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000028712812 561953409 /nfs/dbraw/zinc/95/34/09/561953409.db2.gz PBLLZSMBTAPYBH-MHZLTWQESA-N 1 0 535.635 5.662 1 0 KKAFRO O=C(Cc1cccc2ccccc21)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714014 561954415 /nfs/dbraw/zinc/95/44/15/561954415.db2.gz QCIKOZJDMJYRIG-UHFFFAOYSA-N 1 0 530.116 5.210 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816353 561964025 /nfs/dbraw/zinc/96/40/25/561964025.db2.gz QRSZJGGQSYYERE-GSVOJQHPSA-N 1 0 680.933 9.994 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816287 561964095 /nfs/dbraw/zinc/96/40/95/561964095.db2.gz MAINIDSGKSBIQJ-MJPWBCPGSA-N 1 0 652.879 9.213 1 0 KKAFRO C[C@H]1C[C@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816526 561964217 /nfs/dbraw/zinc/96/42/17/561964217.db2.gz HCHVNBOTRLPDIE-ARGZUQHLSA-N 1 0 592.177 6.239 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816511 561964219 /nfs/dbraw/zinc/96/42/19/561964219.db2.gz KZPKWWGBJWPHLN-IAPPQJPRSA-N 1 0 578.150 5.851 1 0 KKAFRO CC(=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816612 561964362 /nfs/dbraw/zinc/96/43/62/561964362.db2.gz AGAUQIKGMPLDGM-ACKJRHLGSA-N 1 0 534.813 8.185 1 0 KKAFRO CC(=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816616 561964401 /nfs/dbraw/zinc/96/44/01/561964401.db2.gz AGAUQIKGMPLDGM-WABKCAHYSA-N 1 0 534.813 8.185 1 0 KKAFRO CC(=O)c1sc(NC(=O)N2CN(C(=O)OC(C)(C)C)C[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)nc1C ZINC000028821849 561966598 /nfs/dbraw/zinc/96/65/98/561966598.db2.gz QJHFMHUMMDKHPX-HSZRJFAPSA-N 1 0 559.708 5.159 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc4nccnc4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823037 561967700 /nfs/dbraw/zinc/96/77/00/561967700.db2.gz BCMJQNQMYZULNM-XMMPIXPASA-N 1 0 643.729 7.463 1 0 KKAFRO CC(C)C[C@H]([NH2+]CCO)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823896 561968553 /nfs/dbraw/zinc/96/85/53/561968553.db2.gz YNRLVFCAEWMMDT-XTEPFMGCSA-N 1 0 643.578 5.564 1 0 KKAFRO COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1 ZINC000028825098 561970343 /nfs/dbraw/zinc/97/03/43/561970343.db2.gz NRNNWQIWZUUFQS-ZWVRTZEQSA-N 1 0 623.750 5.089 1 0 KKAFRO C[C@H]([NH2+]CCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824128 561969011 /nfs/dbraw/zinc/96/90/11/561969011.db2.gz NHPJKBQBCRAMLO-NRFANRHFSA-N 1 0 520.077 5.847 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3coc4cc(F)ccc43)CC2)C1 ZINC000028824374 561969544 /nfs/dbraw/zinc/96/95/44/561969544.db2.gz WMOVJGHIZPEMGK-DEOSSOPVSA-N 1 0 584.614 5.599 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825211 561970542 /nfs/dbraw/zinc/97/05/42/561970542.db2.gz QOPWWVFDWSBQHN-LEAFIULHSA-N 1 0 588.818 5.442 1 0 KKAFRO C[NH+](C)CCCNC(=S)N1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825286 561970701 /nfs/dbraw/zinc/97/07/01/561970701.db2.gz BDVFVZNABXVWIJ-UHFFFAOYSA-N 1 0 651.277 6.207 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OCC(C)(C)C[NH3+])c1 ZINC000028825260 561970709 /nfs/dbraw/zinc/97/07/09/561970709.db2.gz RCOLNBYOYJTSPZ-UHFFFAOYSA-N 1 0 509.050 5.901 1 0 KKAFRO CSc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825987 561971053 /nfs/dbraw/zinc/97/10/53/561971053.db2.gz IWOPRZMZQPHJTB-UHFFFAOYSA-N 1 0 531.810 7.708 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826075 561971180 /nfs/dbraw/zinc/97/11/80/561971180.db2.gz MDPRWHYKNIZZPB-UHFFFAOYSA-N 1 0 521.696 7.264 1 0 KKAFRO NC(=[NH2+])NC1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826251 561971312 /nfs/dbraw/zinc/97/13/12/561971312.db2.gz NIZOJDGLQSFHGZ-UHFFFAOYSA-N 1 0 527.757 6.510 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827057 561971485 /nfs/dbraw/zinc/97/14/85/561971485.db2.gz BDKKUJXOTBQXCJ-ZDRFMVIZSA-N 1 0 578.606 5.669 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827011 561971503 /nfs/dbraw/zinc/97/15/03/561971503.db2.gz WGNKVNLUAVGKQK-NSOVKSMOSA-N 1 0 565.607 5.710 1 0 KKAFRO Cc1ccc([C@@H](CC(C)C)NC(=O)CC[NH+](C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000028826806 561971512 /nfs/dbraw/zinc/97/15/12/561971512.db2.gz GLNBATBKCBLDAT-JIPXPUAJSA-N 1 0 576.613 5.379 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000028879514 561976468 /nfs/dbraw/zinc/97/64/68/561976468.db2.gz HSJXMFJMCVMAKI-IZLXSDGUSA-N 1 0 640.168 6.628 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H](Cc2ccc(NC(N)=[NH2+])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000028869516 561973794 /nfs/dbraw/zinc/97/37/94/561973794.db2.gz DZZJIIDXFNEDSI-WJOKGBTCSA-N 1 0 658.652 6.055 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869452 561973797 /nfs/dbraw/zinc/97/37/97/561973797.db2.gz DPODTSKCKFJAHM-MHZLTWQESA-N 1 0 564.604 5.331 1 0 KKAFRO COc1ccccc1C(c1ccccc1OC)N1CC[NH+](CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869882 561973815 /nfs/dbraw/zinc/97/38/15/561973815.db2.gz XOGVSNDTSKOGBY-UHFFFAOYSA-N 1 0 543.733 5.836 1 0 KKAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]([NH3+])Cc3ccccc3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870528 561974025 /nfs/dbraw/zinc/97/40/25/561974025.db2.gz ZPQUPYAMVNDHEC-WTMUYZGOSA-N 1 0 600.767 5.152 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879683 561976526 /nfs/dbraw/zinc/97/65/26/561976526.db2.gz QRUVSTZLYGAOFS-CLJLJLNGSA-N 1 0 582.113 5.598 1 0 KKAFRO COc1ccc(-c2ccc(CN(CC(=O)C(C)(C)O)C(=O)NC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000028874137 561975121 /nfs/dbraw/zinc/97/51/21/561975121.db2.gz ZGUUVRMNMNGPEG-UHFFFAOYSA-N 1 0 543.708 5.187 1 0 KKAFRO CCC(CO)(CO)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000028874773 561975319 /nfs/dbraw/zinc/97/53/19/561975319.db2.gz ANKIQEZFSWFNLV-UHFFFAOYSA-N 1 0 543.752 5.609 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CCSC)c3=O)CC2)C(C)C)c1 ZINC000028874794 561975333 /nfs/dbraw/zinc/97/53/33/561975333.db2.gz RYRWIHMMTQHAQP-HHHXNRCGSA-N 1 0 511.732 5.614 1 0 KKAFRO CCC(CO)(CO)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000028874715 561975337 /nfs/dbraw/zinc/97/53/37/561975337.db2.gz CAIOOXOPQUHZGS-UHFFFAOYSA-N 1 0 573.778 5.618 1 0 KKAFRO O=C(Nc1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1)Nc1ccccc1NC(=O)c1cnc2ccccc2c1 ZINC000028877238 561975881 /nfs/dbraw/zinc/97/58/81/561975881.db2.gz ZITINVMPJYNKEP-UHFFFAOYSA-N 1 0 541.655 6.732 1 0 KKAFRO O=C(OC[C@@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879090 561976158 /nfs/dbraw/zinc/97/61/58/561976158.db2.gz ZIKGOADCTDQKTA-XCZPVHLTSA-N 1 0 596.140 5.990 1 0 KKAFRO O=C(OC[C@@H]1CCC[C@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879025 561976162 /nfs/dbraw/zinc/97/61/62/561976162.db2.gz SAJYZUZYZMJMOG-XTEPFMGCSA-N 1 0 578.150 5.851 1 0 KKAFRO CC(C)(OC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880589 561976725 /nfs/dbraw/zinc/97/67/25/561976725.db2.gz HSHATGMVTYSDEB-URLMMPGGSA-N 1 0 606.204 6.629 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887368 561977802 /nfs/dbraw/zinc/97/78/02/561977802.db2.gz DNDKXHJKVVOVQX-PMERELPUSA-N 1 0 609.642 8.421 1 0 KKAFRO C[NH+](C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887187 561977815 /nfs/dbraw/zinc/97/78/15/561977815.db2.gz UBLCHCZJUZLTNI-UHFFFAOYSA-N 1 0 523.508 6.780 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 ZINC000028887463 561977881 /nfs/dbraw/zinc/97/78/81/561977881.db2.gz WYNDQLAKITVAEF-VWLOTQADSA-N 1 0 526.725 6.651 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887475 561977939 /nfs/dbraw/zinc/97/79/39/561977939.db2.gz RLXPKABGYGNYMI-XMMPIXPASA-N 1 0 564.696 7.661 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCC[NH2+]C4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889663 561978049 /nfs/dbraw/zinc/97/80/49/561978049.db2.gz WDBDCRKFWGOAAP-OAQYLSRUSA-N 1 0 517.073 5.627 1 0 KKAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC000028895561 561978945 /nfs/dbraw/zinc/97/89/45/561978945.db2.gz HIDQMHARIWWAIP-NDEPHWFRSA-N 1 0 608.126 5.831 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(F)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897817 561979381 /nfs/dbraw/zinc/97/93/81/561979381.db2.gz LSNSTLHAEKDOFR-UHFFFAOYSA-N 1 0 580.626 5.390 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cs3)CC1)=CC2 ZINC000028957200 561983184 /nfs/dbraw/zinc/98/31/84/561983184.db2.gz QPFRKTUZRFTNPS-UWJYYQICSA-N 1 0 529.594 7.716 1 0 KKAFRO O=C(/C=C/c1ccc(Br)cc1F)N1CCC(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957839 561983441 /nfs/dbraw/zinc/98/34/41/561983441.db2.gz AASVTSQCERCXGV-XBXARRHUSA-N 1 0 519.886 6.373 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5C[NH+]5CCCC5)ccc43)cc12 ZINC000028959515 561983763 /nfs/dbraw/zinc/98/37/63/561983763.db2.gz DAVPPEQYICAVFK-UHFFFAOYSA-N 1 0 572.591 6.080 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NCC3CC[NH+](CC(C)C)CC3)n2)s1 ZINC000028961226 561984165 /nfs/dbraw/zinc/98/41/65/561984165.db2.gz WWYOJWMTSUQDTO-UHFFFAOYSA-N 1 0 598.695 7.303 1 0 KKAFRO C[NH2+]CC1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000028962382 561984590 /nfs/dbraw/zinc/98/45/90/561984590.db2.gz SYCWDKXMBHMKEH-PSXMRANNSA-N 1 0 541.695 7.125 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCC1 ZINC000028967755 561985341 /nfs/dbraw/zinc/98/53/41/561985341.db2.gz DJBPAGGSUSAEKT-LOSJGSFVSA-N 1 0 526.706 6.865 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc(-c5ccccc5)cc4)C3)cc2s1)C1CCCC1 ZINC000028967736 561985356 /nfs/dbraw/zinc/98/53/56/561985356.db2.gz MSWJDHFLZNZLJE-RRPNLBNLSA-N 1 0 552.744 7.379 1 0 KKAFRO O=C(NCc1cccc(C[NH2+]Cc2ccc3ccccc3c2)c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967572 561985365 /nfs/dbraw/zinc/98/53/65/561985365.db2.gz ZZFSYPOLPDFYNX-UHFFFAOYSA-N 1 0 562.739 7.188 1 0 KKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000028967696 561985369 /nfs/dbraw/zinc/98/53/69/561985369.db2.gz OSOLEGAIVKIDFB-UHFFFAOYSA-N 1 0 549.483 6.528 1 0 KKAFRO C[C@H](CCC[N@@H+]1CCc2ccccc2C1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978234 561987698 /nfs/dbraw/zinc/98/76/98/561987698.db2.gz DSDRQSRLYGLYRP-HXUWFJFHSA-N 1 0 533.521 5.908 1 0 KKAFRO C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H](O)C[N@H+](CCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2 ZINC000029039061 561989470 /nfs/dbraw/zinc/98/94/70/561989470.db2.gz DFTSMKPUBOXVKF-UENLDKMFSA-N 1 0 589.760 5.038 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039331 561989746 /nfs/dbraw/zinc/98/97/46/561989746.db2.gz YTRYSMIXUHQRLS-IARZGTGTSA-N 1 0 623.160 5.593 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039336 561989754 /nfs/dbraw/zinc/98/97/54/561989754.db2.gz SQWVOXOCDCWIEB-GPXNEJASSA-N 1 0 538.010 5.010 1 0 KKAFRO CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(CN3CCOC3=O)(C3CCCCC3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000029039415 561989867 /nfs/dbraw/zinc/98/98/67/561989867.db2.gz CHYXLNCETFJBFU-RPBOFIJWSA-N 1 0 531.688 5.420 1 0 KKAFRO C[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040057 561990387 /nfs/dbraw/zinc/99/03/87/561990387.db2.gz CDTYHUXYWXPHSM-GOSISDBHSA-N 1 0 510.522 6.427 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000029040091 561990391 /nfs/dbraw/zinc/99/03/91/561990391.db2.gz STSDXEDJWCUXPS-LGONNFHISA-N 1 0 564.614 7.453 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 ZINC000029043282 561991961 /nfs/dbraw/zinc/99/19/61/561991961.db2.gz MIAUOPQGTJQSKK-XQFUHLNNSA-N 1 0 621.035 7.049 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043450 561992080 /nfs/dbraw/zinc/99/20/80/561992080.db2.gz WIYYBZMEWSJCLO-XQFUHLNNSA-N 1 0 576.584 6.940 1 0 KKAFRO COC(=O)c1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029043865 561992218 /nfs/dbraw/zinc/99/22/18/561992218.db2.gz FYFWEZLGJFREHK-HHHXNRCGSA-N 1 0 573.521 5.746 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045135 561992417 /nfs/dbraw/zinc/99/24/17/561992417.db2.gz AHCRDIRRQYOJIL-WUATYOAZSA-N 1 0 526.508 5.967 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000029046107 561992743 /nfs/dbraw/zinc/99/27/43/561992743.db2.gz GQLKTRKRMSMQCE-XQFUHLNNSA-N 1 0 560.129 6.426 1 0 KKAFRO CC(=O)OC[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029045915 561992758 /nfs/dbraw/zinc/99/27/58/561992758.db2.gz SOFIYRUCAHSTSH-UQXBXQHDSA-N 1 0 553.625 5.648 1 0 KKAFRO CN(C)C[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029046161 561992764 /nfs/dbraw/zinc/99/27/64/561992764.db2.gz LMTBBCDNRDHIPQ-MFLZCGGFSA-N 1 0 538.658 5.647 1 0 KKAFRO COc1cc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc(C(F)(F)F)c1 ZINC000029048644 561993716 /nfs/dbraw/zinc/99/37/16/561993716.db2.gz ZXPMTAYDELAHRR-PKAZHMFMSA-N 1 0 550.581 6.167 1 0 KKAFRO c1c(-c2ccncc2)n[nH]c1C1CC[NH+](Cc2ccc(-c3nc4ncccc4cc3-c3ccccc3)cc2)CC1 ZINC000029049369 561994035 /nfs/dbraw/zinc/99/40/35/561994035.db2.gz APOYFUSNBQZHQQ-UHFFFAOYSA-N 1 0 522.656 7.129 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccccc3OC)CC[NH2+]2)c1 ZINC000029128969 562001398 /nfs/dbraw/zinc/00/13/98/562001398.db2.gz UFCKGWDMISCCKX-DOICAPFNSA-N 1 0 635.796 5.857 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncsn4)c3=O)CC2)C(C)C)c1 ZINC000029062181 561995902 /nfs/dbraw/zinc/99/59/02/561995902.db2.gz QEALVBRJCBVLMA-AREMUKBSSA-N 1 0 535.714 5.150 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c(C)noc4C)c3=O)CC2)C(C)C)c1 ZINC000029061753 561995909 /nfs/dbraw/zinc/99/59/09/561995909.db2.gz DNWBVIHRXCWTCQ-PMERELPUSA-N 1 0 546.712 5.904 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4ccnc4C)c3=O)CC2)C(C)C)c1 ZINC000029063582 561996304 /nfs/dbraw/zinc/99/63/04/561996304.db2.gz ULSQCYSSRBVLAT-GDLZYMKVSA-N 1 0 531.701 5.261 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cccnc4)c3=O)CC2)C(C)C)c1 ZINC000029064228 561996310 /nfs/dbraw/zinc/99/63/10/561996310.db2.gz DZBPCCBNAIHNNJ-PMERELPUSA-N 1 0 528.697 5.694 1 0 KKAFRO O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125459 561997623 /nfs/dbraw/zinc/99/76/23/561997623.db2.gz SAFAYEWAOOEFOR-UHFFFAOYSA-N 1 0 538.324 5.437 1 0 KKAFRO CN(CC[NH+](C)C)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125598 561997815 /nfs/dbraw/zinc/99/78/15/561997815.db2.gz QVLLFDDIYGBBAZ-WJOKGBTCSA-N 1 0 715.269 5.503 1 0 KKAFRO C[NH+](C)CCNC(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125597 561997879 /nfs/dbraw/zinc/99/78/79/561997879.db2.gz PRCLJYOAKPONJM-PMERELPUSA-N 1 0 701.242 5.160 1 0 KKAFRO Cc1noc2cc3c(cc12)CC[N@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029126946 561999255 /nfs/dbraw/zinc/99/92/55/561999255.db2.gz FLIIXHVRMXEDPQ-UHFFFAOYSA-N 1 0 501.578 5.534 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126991 561999274 /nfs/dbraw/zinc/99/92/74/561999274.db2.gz ILAPINSYTQOSTH-GOSISDBHSA-N 1 0 580.680 6.779 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127291 561999636 /nfs/dbraw/zinc/99/96/36/561999636.db2.gz VYGLNPIKDOAMBL-QFIPXVFZSA-N 1 0 554.764 5.674 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C6CC6)oc5cc4CC3)n2C)n1 ZINC000029127470 561999953 /nfs/dbraw/zinc/99/99/53/561999953.db2.gz YHBNNSZPKVUPMG-UHFFFAOYSA-N 1 0 524.694 5.940 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCC3CCCCC3)CC[NH2+]2)c1 ZINC000029128728 562001153 /nfs/dbraw/zinc/00/11/53/562001153.db2.gz OSVQUANTTIARBU-GJZXTFMBSA-N 1 0 627.817 5.955 1 0 KKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000029130314 562002424 /nfs/dbraw/zinc/00/24/24/562002424.db2.gz ZXMLRIBTWAJYRQ-VVFBEHOQSA-N 1 0 533.690 5.526 1 0 KKAFRO COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000029133717 562003684 /nfs/dbraw/zinc/00/36/84/562003684.db2.gz FVIRTVGXWNRAMY-UHFFFAOYSA-N 1 0 505.058 6.659 1 0 KKAFRO Cc1cc2c(ccc(Oc3ncnn4cc(OC[C@@H](C)OC(=O)c5cccc(C[NH+](C)C)c5)c(C)c34)c2F)[nH]1 ZINC000029134243 562003949 /nfs/dbraw/zinc/00/39/49/562003949.db2.gz YABFYGFIFBKKDB-GOSISDBHSA-N 1 0 531.588 5.445 1 0 KKAFRO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1ccnc2cc(Cl)ccc21)C(C)C ZINC000029134709 562004218 /nfs/dbraw/zinc/00/42/18/562004218.db2.gz IDDQJXZUGKJHDT-UHFFFAOYSA-N 1 0 532.006 7.400 1 0 KKAFRO COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCSCC5)cc4)cc3)o2)n1 ZINC000029136115 562004651 /nfs/dbraw/zinc/00/46/51/562004651.db2.gz BMUFJAUVAKXQFU-UHFFFAOYSA-N 1 0 527.646 5.555 1 0 KKAFRO O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCC3(CSc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000029222842 562007511 /nfs/dbraw/zinc/00/75/11/562007511.db2.gz MLGUGUGJZZJNEQ-AOYPEHQESA-N 1 0 504.721 5.230 1 0 KKAFRO CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029326470 562013536 /nfs/dbraw/zinc/01/35/36/562013536.db2.gz YLXXVTQNENXHGV-NDEPHWFRSA-N 1 0 562.736 5.772 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 ZINC000029330403 562013742 /nfs/dbraw/zinc/01/37/42/562013742.db2.gz ODSUJAILIUEJIU-NDEPHWFRSA-N 1 0 608.642 5.411 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[NH+]3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335839 562014321 /nfs/dbraw/zinc/01/43/21/562014321.db2.gz IGQDYUQVXOOQQK-BHVANESWSA-N 1 0 648.675 6.937 1 0 KKAFRO COc1cccc([C@H]2C(C(=O)OCC[NH+](C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340470 562015124 /nfs/dbraw/zinc/01/51/24/562015124.db2.gz NMNYYJCTQPXJPZ-QHCPKHFHSA-N 1 0 518.466 5.839 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342616 562015606 /nfs/dbraw/zinc/01/56/06/562015606.db2.gz FURDJWVBJDISJQ-DDIISEAMSA-N 1 0 686.942 5.115 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[NH+]3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029397114 562018829 /nfs/dbraw/zinc/01/88/29/562018829.db2.gz OXPHGFUXQGFKRJ-ZJJOJAIXSA-N 1 0 655.619 5.728 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1)C1CCCCCCC1 ZINC000029411714 562021921 /nfs/dbraw/zinc/02/19/21/562021921.db2.gz TZGAOWYHZPASDV-UHFFFAOYSA-N 1 0 578.845 8.577 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc3ccccc3c1)c2OCC[C@H]1CCCC[NH2+]1)NC1CC1 ZINC000029414350 562022515 /nfs/dbraw/zinc/02/25/15/562022515.db2.gz HWQNINBYCILOFM-OAQYLSRUSA-N 1 0 531.056 6.609 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(CC(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029462174 562023253 /nfs/dbraw/zinc/02/32/53/562023253.db2.gz OFPQUYNEJTTZNE-NSOVKSMOSA-N 1 0 628.883 6.920 1 0 KKAFRO CC[C@@](C)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029464338 562023705 /nfs/dbraw/zinc/02/37/05/562023705.db2.gz DFWLMADCELWCJY-VKLCXVETSA-N 1 0 576.829 7.823 1 0 KKAFRO CCN(C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1)C1CCCCC1 ZINC000029464962 562024066 /nfs/dbraw/zinc/02/40/66/562024066.db2.gz WOVMOKDSVXXEON-UHFFFAOYSA-N 1 0 592.872 8.461 1 0 KKAFRO Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC000029465127 562024211 /nfs/dbraw/zinc/02/42/11/562024211.db2.gz MLZCQGFPFQDFLC-NDEPHWFRSA-N 1 0 576.100 6.338 1 0 in-vitro KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029465991 562024413 /nfs/dbraw/zinc/02/44/13/562024413.db2.gz NTZZUGUKBHYDIN-UHFFFAOYSA-N 1 0 536.764 6.902 1 0 KKAFRO COCCN(CCOC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1 ZINC000029467922 562024837 /nfs/dbraw/zinc/02/48/37/562024837.db2.gz PHOPWDSZYFWCCF-UHFFFAOYSA-N 1 0 556.751 5.737 1 0 KKAFRO CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029468215 562024925 /nfs/dbraw/zinc/02/49/25/562024925.db2.gz UQVMPYXBAWGXGN-UHFFFAOYSA-N 1 0 503.068 6.425 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029468402 562024963 /nfs/dbraw/zinc/02/49/63/562024963.db2.gz QOOQBRRRNZUAKS-UHFFFAOYSA-N 1 0 602.845 6.344 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469753 562025314 /nfs/dbraw/zinc/02/53/14/562025314.db2.gz TYZXLZNJKGHJKW-VNJAYTNWSA-N 1 0 610.639 7.057 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000029471550 562025681 /nfs/dbraw/zinc/02/56/81/562025681.db2.gz KAMIRJQFZYYXDX-FPOVZHCZSA-N 1 0 546.071 6.219 1 0 KKAFRO CC(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5c(F)cc(F)cc45)CC3)CC2)cc1 ZINC000029474635 562026242 /nfs/dbraw/zinc/02/62/42/562026242.db2.gz XXIXYAZLVZVWIE-UHFFFAOYSA-N 1 0 533.663 5.816 1 0 KKAFRO CN1CN(c2cccc(C(F)(F)F)c2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029481688 562027478 /nfs/dbraw/zinc/02/74/78/562027478.db2.gz PHOXXTRVUNTKHW-UHFFFAOYSA-N 1 0 558.595 6.283 1 0 KKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000029489123 562029101 /nfs/dbraw/zinc/02/91/01/562029101.db2.gz YWPYDTRIUZIRJB-JGCGQSQUSA-N 1 0 533.760 8.541 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 ZINC000029545062 562029473 /nfs/dbraw/zinc/02/94/73/562029473.db2.gz DKINVODFRKTDJC-JTDOPDNRSA-N 1 0 669.823 5.472 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCCOc2ccc(OC)cc2[C@H]2Sc3ccccc3N(C)C2=O)cc1 ZINC000029551390 562031182 /nfs/dbraw/zinc/03/11/82/562031182.db2.gz OUOAHKBNSMBARV-GDLZYMKVSA-N 1 0 536.694 5.683 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@@H](OCc2ccccc2)[C@H]1OCCc1cccnc1 ZINC000029552258 562031325 /nfs/dbraw/zinc/03/13/25/562031325.db2.gz ZITWOMGDVPSLHM-IMEMCKAMSA-N 1 0 683.850 5.514 1 0 KKAFRO CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553763 562031723 /nfs/dbraw/zinc/03/17/23/562031723.db2.gz WKQSQQHHTZBHTH-JBOQNHBVSA-N 1 0 601.754 5.842 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2c(OC)cccc2OC)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556192 562032068 /nfs/dbraw/zinc/03/20/68/562032068.db2.gz FOHPCRQSIZLSLN-GDLZYMKVSA-N 1 0 552.693 5.302 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCc1ccsc1)(C(=O)OCCc1ccsc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029556114 562032081 /nfs/dbraw/zinc/03/20/81/562032081.db2.gz YJTWWUCXZCWKQF-ZBLYBZFDSA-N 1 0 642.195 5.757 1 0 KKAFRO Cc1cc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000029559524 562032822 /nfs/dbraw/zinc/03/28/22/562032822.db2.gz ONCZFLYTRGGESY-UHFFFAOYSA-N 1 0 548.706 7.230 1 0 KKAFRO CCCCOc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565712 562034330 /nfs/dbraw/zinc/03/43/30/562034330.db2.gz NHMBRKFMTPPSQN-MHZLTWQESA-N 1 0 546.687 5.719 1 0 KKAFRO N=C(Nc1ccc(Cl)cc1)Nc1nc(NCCCC[NH+]2CCCC2)nc(C(Cl)(Cl)Cl)n1 ZINC000029566996 562034525 /nfs/dbraw/zinc/03/45/25/562034525.db2.gz BYSHCFNEGPIVIY-UHFFFAOYSA-N 1 0 506.269 5.098 1 0 KKAFRO CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000029571296 562035701 /nfs/dbraw/zinc/03/57/01/562035701.db2.gz BDEAPIBOCDRCEQ-VQYHQDFDSA-N 1 0 602.860 7.031 1 0 KKAFRO CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755081 562037546 /nfs/dbraw/zinc/03/75/46/562037546.db2.gz CEWVFZWVXADRCT-PKTZIBPZSA-N 1 0 513.788 8.197 1 0 KKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(OC)ccc21 ZINC000034110097 562038217 /nfs/dbraw/zinc/03/82/17/562038217.db2.gz IFCSDJGUXGRSFR-JGCGQSQUSA-N 1 0 513.634 6.396 1 0 in-vivo KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000034663726 562039532 /nfs/dbraw/zinc/03/95/32/562039532.db2.gz UBOSWZVKFNAYOS-LJAQVGFWSA-N 1 0 517.714 5.911 1 0 KKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000034753274 562040434 /nfs/dbraw/zinc/04/04/34/562040434.db2.gz QESOEGOVASIYOF-UHFFFAOYSA-N 1 0 507.569 6.655 1 0 KKAFRO CC(C)(Cc1ccccc1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803797 562042679 /nfs/dbraw/zinc/04/26/79/562042679.db2.gz VAZIRCJVSIHJCE-IEWVHIKDSA-N 1 0 530.672 6.483 1 0 KKAFRO Cc1cc(CC(C)(C)[C@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)oc1C ZINC000034803870 562042684 /nfs/dbraw/zinc/04/26/84/562042684.db2.gz KDWRWHYXTBMSEU-UKJJDJLKSA-N 1 0 548.687 6.693 1 0 KKAFRO C[C@H]1C[N@H+](CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000034804352 562043188 /nfs/dbraw/zinc/04/31/88/562043188.db2.gz XPRHLFWRKKPHTO-BVZFJXPGSA-N 1 0 510.522 6.427 1 0 KKAFRO CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804884 562043471 /nfs/dbraw/zinc/04/34/71/562043471.db2.gz JGSIEANYYGCVKS-RUZDIDTESA-N 1 0 655.718 5.113 1 0 KKAFRO Cc1c(OC2CC[NH+](CC3CC[NH+]([C@@H](Cc4ccc(F)cc4)C(=O)[O-])CC3)CC2)ccc(Cl)c1Cl ZINC000034885147 562043914 /nfs/dbraw/zinc/04/39/14/562043914.db2.gz WKNWCTUFTMDACE-DEOSSOPVSA-N 1 0 523.476 5.692 1 0 KKAFRO CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633581 562039424 /nfs/dbraw/zinc/03/94/24/562039424.db2.gz IFYMQFZWVLAXQB-SSEXGKCCSA-N 1 0 586.629 7.393 1 0 KKAFRO CC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC000036093269 562047013 /nfs/dbraw/zinc/04/70/13/562047013.db2.gz FTVCCHUPUJEUIW-FIPFOOKPSA-N 1 0 509.622 5.045 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(OC)c2)cc1 ZINC000036107653 562047360 /nfs/dbraw/zinc/04/73/60/562047360.db2.gz SRJFMCQYJFRTOX-DJHAPPKCSA-N 1 0 547.655 5.490 1 0 KKAFRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000036126695 562047622 /nfs/dbraw/zinc/04/76/22/562047622.db2.gz OEUKDGTYEZUHLE-KYJUHHDHSA-N 1 0 513.657 5.175 1 0 KKAFRO CCOC(=O)[C@H]1CCCN(C(=[NH2+])c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)C1 ZINC000036126798 562047759 /nfs/dbraw/zinc/04/77/59/562047759.db2.gz AVFMZQVTHCWXLS-IBGZPJMESA-N 1 0 568.461 5.493 1 0 KKAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000036152703 562048391 /nfs/dbraw/zinc/04/83/91/562048391.db2.gz NZAMXMHINRKGSL-JEKXYDNZSA-N 1 0 595.228 5.374 1 0 KKAFRO COc1cccc(N([C@H](C)c2ccccc2OCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036175827 562049162 /nfs/dbraw/zinc/04/91/62/562049162.db2.gz WYLFNAJFEHDUJL-JOCHJYFZSA-N 1 0 529.102 6.170 1 0 KKAFRO COc1cccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000036177556 562049415 /nfs/dbraw/zinc/04/94/15/562049415.db2.gz GRSYDSUIMCPQLM-ZRDIBKRKSA-N 1 0 533.500 5.542 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177570 562049467 /nfs/dbraw/zinc/04/94/67/562049467.db2.gz BZFQFRBZDAJNFS-UXBLZVDNSA-N 1 0 572.364 6.840 1 0 KKAFRO C[NH2+]CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035570545 562045233 /nfs/dbraw/zinc/04/52/33/562045233.db2.gz CBOUOGWEDQDHDX-YUMHNZQISA-N 1 0 513.807 6.912 1 0 KKAFRO C[NH2+]CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035570543 562045266 /nfs/dbraw/zinc/04/52/66/562045266.db2.gz CBOUOGWEDQDHDX-MPRXFSSYSA-N 1 0 513.807 6.912 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000035822163 562045515 /nfs/dbraw/zinc/04/55/15/562045515.db2.gz ICHSQGVMXMADMI-POURPWNDSA-N 1 0 524.665 6.520 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985889 562046019 /nfs/dbraw/zinc/04/60/19/562046019.db2.gz LGUUOHMUYOBFQP-GYGTVUFYSA-N 1 0 508.147 5.324 1 0 KKAFRO CC(C)(C)C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188205 562050917 /nfs/dbraw/zinc/05/09/17/562050917.db2.gz BCJCHJGSBADBFH-UHFFFAOYSA-N 1 0 536.507 6.532 1 0 KKAFRO COc1c(Cl)cccc1N1CC[NH+](CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1 ZINC000036215318 562051122 /nfs/dbraw/zinc/05/11/22/562051122.db2.gz OWMILJDHSTVDQS-UHFFFAOYSA-N 1 0 532.128 5.565 1 0 KKAFRO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCc3ccccc3C2)CC1 ZINC000036285027 562053614 /nfs/dbraw/zinc/05/36/14/562053614.db2.gz VQOIYAMYLOQWBL-CZNDPXEESA-N 1 0 620.213 5.385 1 0 KKAFRO CC(C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285548 562054175 /nfs/dbraw/zinc/05/41/75/562054175.db2.gz DPODTCBEVBSNGA-HSZRJFAPSA-N 1 0 502.408 5.949 1 0 KKAFRO [NH3+][C@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285571 562054189 /nfs/dbraw/zinc/05/41/89/562054189.db2.gz CUIHSBFDWJIEDC-AREMUKBSSA-N 1 0 530.471 5.631 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285649 562054333 /nfs/dbraw/zinc/05/43/33/562054333.db2.gz PRWVJUJCHUHVLU-QLXKLKPCSA-N 1 0 573.487 5.456 1 0 KKAFRO Cc1cc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)ccc1Cl ZINC000036285861 562054553 /nfs/dbraw/zinc/05/45/53/562054553.db2.gz DTKGHZKFFVMHGS-CYFREDJKSA-N 1 0 510.044 6.241 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2[C@@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000036324018 562055343 /nfs/dbraw/zinc/05/53/43/562055343.db2.gz XHNPKKNIQBKPHA-OYUWMTPXSA-N 1 0 525.577 8.068 1 0 KKAFRO C[N@H+](Cc1c[nH]c(=O)[nH]1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324435 562055469 /nfs/dbraw/zinc/05/54/69/562055469.db2.gz ZSLGEMKPRWABHK-FSSWDIPSSA-N 1 0 513.482 6.116 1 0 KKAFRO Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1 ZINC000036338824 562057359 /nfs/dbraw/zinc/05/73/59/562057359.db2.gz IKKIBNZCYWKUSQ-UHFFFAOYSA-N 1 0 512.683 5.087 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc21 ZINC000036349225 562057876 /nfs/dbraw/zinc/05/78/76/562057876.db2.gz BYQZIQGTLPDDKE-MGBGTMOVSA-N 1 0 595.751 6.365 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351485 562058344 /nfs/dbraw/zinc/05/83/44/562058344.db2.gz GETZJGVTPRSRQI-VMPREFPWSA-N 1 0 584.727 6.614 1 0 KKAFRO CSc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@H]([NH2+]CCCc5ccccc5)C4)C3)cc2)cc1 ZINC000036351629 562058782 /nfs/dbraw/zinc/05/87/82/562058782.db2.gz JMWRJVZSBUSJJK-KYJUHHDHSA-N 1 0 556.776 5.639 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CC3CCCCC3)C2)C1 ZINC000036351623 562058839 /nfs/dbraw/zinc/05/88/39/562058839.db2.gz MBZSCCGQYDMCHV-IZLXSDGUSA-N 1 0 556.673 5.883 1 0 KKAFRO O=Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351663 562058968 /nfs/dbraw/zinc/05/89/68/562058968.db2.gz HJDXSOXZHJUZJL-UMSFTDKQSA-N 1 0 590.595 7.665 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351674 562058974 /nfs/dbraw/zinc/05/89/74/562058974.db2.gz CYSAXXFGKMEENX-MGBGTMOVSA-N 1 0 580.575 7.992 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccccc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351691 562059023 /nfs/dbraw/zinc/05/90/23/562059023.db2.gz COYFWRQZIIDGFN-XIFFEERXSA-N 1 0 562.585 7.853 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCC(c4ccccc4)CC3)ccc2c1 ZINC000038149731 562066226 /nfs/dbraw/zinc/06/62/26/562066226.db2.gz ODMRZHCWTPHENJ-UHFFFAOYSA-N 1 0 563.126 7.695 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150651 562066425 /nfs/dbraw/zinc/06/64/25/562066425.db2.gz GRZGPYMYCGWTKZ-UIUQJESISA-N 1 0 536.713 5.421 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000038151297 562066834 /nfs/dbraw/zinc/06/68/34/562066834.db2.gz KWUDOKOIFMMBSB-JHOUSYSJSA-N 1 0 567.755 6.039 1 0 KKAFRO Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(-c4ccncc4)n5CC[NH+]4CCCCC4)CC3)n2)cc1 ZINC000038152753 562067251 /nfs/dbraw/zinc/06/72/51/562067251.db2.gz MEGVNXLOSVIILL-UHFFFAOYSA-N 1 0 598.220 6.996 3 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC([S@@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156574 562068414 /nfs/dbraw/zinc/06/84/14/562068414.db2.gz MIEWISRGDFUMGE-KXQOOQHDSA-N 1 0 582.569 5.386 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157237 562068607 /nfs/dbraw/zinc/06/86/07/562068607.db2.gz OTTAZZYTYCBVQV-NPJIAGGLSA-N 1 0 593.643 6.943 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cc(Cl)ccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157895 562069756 /nfs/dbraw/zinc/06/97/56/562069756.db2.gz XSMSPJMYCSYEIY-UHFFFAOYSA-N 1 0 574.955 7.915 1 0 KKAFRO CC(C)(C)C[N@@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000038257729 562070806 /nfs/dbraw/zinc/07/08/06/562070806.db2.gz MZGSBTMNRARQLF-UHFFFAOYSA-N 1 0 514.548 6.821 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C2CC2)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038462132 562072019 /nfs/dbraw/zinc/07/20/19/562072019.db2.gz QVIGMIXQFMLDIS-CFJRQAHESA-N 1 0 514.510 5.976 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccccc1CCF)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000038750017 562072336 /nfs/dbraw/zinc/07/23/36/562072336.db2.gz SWDHYKXQYUPRCM-UHFFFAOYSA-N 1 0 503.639 6.882 1 0 KKAFRO [NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Oc5ccccc5)c4)c3c2)cc1 ZINC000039203035 562072764 /nfs/dbraw/zinc/07/27/64/562072764.db2.gz KSTUYVHCHCYOAB-UHFFFAOYSA-N 1 0 525.612 7.792 1 0 in-vitro KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040429926 562076766 /nfs/dbraw/zinc/07/67/66/562076766.db2.gz QOFTUMGVBJWMAB-MZKUHISZSA-N 1 0 526.565 6.682 1 0 KKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040465190 562077109 /nfs/dbraw/zinc/07/71/09/562077109.db2.gz FPBAVVKKNSIUQB-CQSZACIVSA-N 1 0 501.471 6.921 1 0 KKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040465189 562077130 /nfs/dbraw/zinc/07/71/30/562077130.db2.gz FPBAVVKKNSIUQB-AWEZNQCLSA-N 1 0 501.471 6.921 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)C1CCC(C2CCCCC2)CC1 ZINC000040496714 562077554 /nfs/dbraw/zinc/07/75/54/562077554.db2.gz JNGAIJYLBCTUCM-FQFXDTNBSA-N 1 0 529.725 5.887 1 0 KKAFRO CC[N@H+](CCCOc1ccc(C(C)=O)cc1OC)CCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000040506041 562077601 /nfs/dbraw/zinc/07/76/01/562077601.db2.gz GGMYEXMZSVNILL-UHFFFAOYSA-N 1 0 511.609 5.983 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)NCC[NH+](C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000040690088 562079073 /nfs/dbraw/zinc/07/90/73/562079073.db2.gz HIHOWBSBBDRPDW-QLTAQHPPSA-N 1 0 500.812 7.684 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@](O)(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040817946 562080025 /nfs/dbraw/zinc/08/00/25/562080025.db2.gz HZHVNKHPWFQMOV-HKBQPEDESA-N 1 0 523.620 5.787 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCC[NH+]4CCCC4)c(F)c3)nc21 ZINC000042805584 562089202 /nfs/dbraw/zinc/08/92/02/562089202.db2.gz CLLDBMRRUZYRLR-UHFFFAOYSA-N 1 0 561.706 6.359 1 0 in-vivo KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CC3CC[NH2+]CC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000040914244 562083745 /nfs/dbraw/zinc/08/37/45/562083745.db2.gz WSVAVMCVONMDDJ-UHFFFAOYSA-N 1 0 539.764 6.991 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040919194 562084459 /nfs/dbraw/zinc/08/44/59/562084459.db2.gz YPVPHVRRAMMRBZ-UHFFFAOYSA-N 1 0 515.057 6.320 1 0 KKAFRO CC[NH2+]Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)[nH]1 ZINC000040933095 562084623 /nfs/dbraw/zinc/08/46/23/562084623.db2.gz OORGVIGRGYYYEO-UHFFFAOYSA-N 1 0 508.022 6.911 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040934264 562084774 /nfs/dbraw/zinc/08/47/74/562084774.db2.gz QPXWPCNCCWSLOF-ZRZAMGCNSA-N 1 0 500.662 5.392 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040936380 562085228 /nfs/dbraw/zinc/08/52/28/562085228.db2.gz UCGDJSGANNJRLB-ZRZAMGCNSA-N 1 0 517.117 5.906 1 0 KKAFRO C[NH+](C)Cc1ccccc1Sc1ccc(I)cc1NC(=O)c1ccc(F)cc1 ZINC000040950082 562085906 /nfs/dbraw/zinc/08/59/06/562085906.db2.gz OJCSIBAAOOBVQU-UHFFFAOYSA-N 1 0 506.384 5.895 1 0 KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCCC1 ZINC000040951039 562085993 /nfs/dbraw/zinc/08/59/93/562085993.db2.gz MQIGEJLZKVQZSL-VWNXMTODSA-N 1 0 526.690 6.012 1 0 KKAFRO CCC[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040954199 562086390 /nfs/dbraw/zinc/08/63/90/562086390.db2.gz GAWLGGFBSVEUMN-ZZSVKSCCSA-N 1 0 522.574 6.330 1 0 KKAFRO Cc1ccc(N(C(=O)N(C)CCC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 ZINC000040953961 562086399 /nfs/dbraw/zinc/08/63/99/562086399.db2.gz PVFBWXXUVZTKAZ-UHFFFAOYSA-N 1 0 503.637 6.833 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000040957624 562086953 /nfs/dbraw/zinc/08/69/53/562086953.db2.gz SWBZFFOHVHXOKJ-JAVNYVMFSA-N 1 0 508.547 5.796 1 0 KKAFRO CC(C)C(=O)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979188 562087352 /nfs/dbraw/zinc/08/73/52/562087352.db2.gz HNQYTVPEOUBBMB-WJOKGBTCSA-N 1 0 535.679 6.441 1 0 KKAFRO Cc1cc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000042806726 562089835 /nfs/dbraw/zinc/08/98/35/562089835.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 1 0 591.156 5.104 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)[C@]1(Cc2ccc(O)c(OC)c2)CC[NH2+][C@H](O)C1)OC(C)=O ZINC000085596806 560063299 /nfs/dbraw/zinc/06/32/99/560063299.db2.gz QCPTYVRVRRFHBU-HPUMXDSBSA-N 1 0 533.706 5.026 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532404 560072836 /nfs/dbraw/zinc/07/28/36/560072836.db2.gz CJRXTOXGXQIANM-UFHUFKOYSA-N 1 0 523.714 5.992 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CC[C@](O)([C@H]4C=CC[C@@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532350 560073005 /nfs/dbraw/zinc/07/30/05/560073005.db2.gz MEYWFQZUSAQFHE-CBZMCJDRSA-N 1 0 549.752 6.525 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@@H+]13 ZINC000085511857 560073771 /nfs/dbraw/zinc/07/37/71/560073771.db2.gz NEKIHSCHYFCIRU-QZZURBPNSA-N 1 0 579.690 5.170 1 0 biogenic,in-vitro KKAFRO C[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1 ZINC000043024844 562645050 /nfs/dbraw/zinc/64/50/50/562645050.db2.gz BIGKPXKLKJZLME-HXUWFJFHSA-N 1 0 582.482 5.966 1 0 KKAFRO CN1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@H](c2ccccc2)C1 ZINC000043065905 562645333 /nfs/dbraw/zinc/64/53/33/562645333.db2.gz HLFQPMNDRXUKAD-MHZLTWQESA-N 1 0 525.619 5.159 1 0 KKAFRO O=C(OCc1ccc(Cl)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000043151812 562646388 /nfs/dbraw/zinc/64/63/88/562646388.db2.gz XAAACIWGJCKPDH-UHFFFAOYSA-N 1 0 540.422 5.262 1 0 KKAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170088 562646474 /nfs/dbraw/zinc/64/64/74/562646474.db2.gz HBSAGEADSOENTM-BHVANESWSA-N 1 0 631.712 5.171 1 0 KKAFRO [NH2+]=C1Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCOCC1)CCc1cccc(c1)O3 ZINC000043171641 562646562 /nfs/dbraw/zinc/64/65/62/562646562.db2.gz PROUJCWGYDRETF-LJAQVGFWSA-N 1 0 516.686 5.534 1 0 KKAFRO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 ZINC000043197082 562646780 /nfs/dbraw/zinc/64/67/80/562646780.db2.gz PGCOOGZBMIERGE-DEOSSOPVSA-N 1 0 618.964 7.496 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)cc3Cl)cc2)n1 ZINC000044032009 562651700 /nfs/dbraw/zinc/65/17/00/562651700.db2.gz JNQQKNNGZMUAHS-MHZLTWQESA-N 1 0 611.526 6.195 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1cccc([C@H](C)N3CCOCC3)c1)C2 ZINC000044281448 562653096 /nfs/dbraw/zinc/65/30/96/562653096.db2.gz KDWOPADIGXTVPB-ZWDFMOMQSA-N 1 0 562.751 5.253 1 0 KKAFRO CCCC[C@@H]1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281663 562653218 /nfs/dbraw/zinc/65/32/18/562653218.db2.gz KRUJQWXOSLKLBD-MUUNZHRXSA-N 1 0 616.842 5.186 1 0 KKAFRO C[NH+](C)CCCc1ccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)cc1 ZINC000044305192 562653402 /nfs/dbraw/zinc/65/34/02/562653402.db2.gz UUJLJBCADQREGB-UHFFFAOYSA-N 1 0 603.677 7.227 1 0 KKAFRO Cc1c(Cn2ncc(N3CC[NH2+]CC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000044308039 562654178 /nfs/dbraw/zinc/65/41/78/562654178.db2.gz LDFHMYVFAPMKFW-UHFFFAOYSA-N 1 0 565.077 5.131 1 0 KKAFRO O=C1C[C@@](CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000044350935 562654418 /nfs/dbraw/zinc/65/44/18/562654418.db2.gz RVQFDCYLUPNTJZ-JGCGQSQUSA-N 1 0 591.583 5.872 1 0 KKAFRO CCCC[C@H]1C(=O)N(Cc2ccc(F)cc2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044351317 562654555 /nfs/dbraw/zinc/65/45/55/562654555.db2.gz FUVFXKANLIQTMS-NDEPHWFRSA-N 1 0 563.762 5.548 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1cccc(F)c1 ZINC000044351681 562654828 /nfs/dbraw/zinc/65/48/28/562654828.db2.gz PKUNCJUNQIFCJL-UHFFFAOYSA-N 1 0 555.654 5.252 1 0 KKAFRO NC(=O)C1(Nc2ccccc2)CC[NH+](CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000044352259 562655098 /nfs/dbraw/zinc/65/50/98/562655098.db2.gz HGSGHCYSIWGOHG-JGCGQSQUSA-N 1 0 593.599 6.380 1 0 KKAFRO FC(F)(F)c1cccc(C[N@H+](CCCOc2cccc3[nH]ccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000044360473 562655614 /nfs/dbraw/zinc/65/56/14/562655614.db2.gz FSENUVJQKQCYBD-UHFFFAOYSA-N 1 0 563.063 8.943 1 0 KKAFRO CC[N@H+](CCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416837 562656938 /nfs/dbraw/zinc/65/69/38/562656938.db2.gz LUSQBOYQNVVORG-UHFFFAOYSA-N 1 0 568.187 5.990 1 0 KKAFRO Clc1ccc2c(c1)nccc2NCCC[NH+](CCC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2 ZINC000044416935 562657011 /nfs/dbraw/zinc/65/70/11/562657011.db2.gz DXJSRIBUZHVWKH-UHFFFAOYSA-N 1 0 560.270 9.205 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000045167085 562657937 /nfs/dbraw/zinc/65/79/37/562657937.db2.gz UZBISDZKADNRKD-HSZRJFAPSA-N 1 0 523.621 5.281 1 0 KKAFRO FC(F)(F)c1ccc(NC(=S)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000045167281 562658024 /nfs/dbraw/zinc/65/80/24/562658024.db2.gz IQEGPYILRKBMHH-UHFFFAOYSA-N 1 0 514.661 6.865 1 0 KKAFRO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167525 562658047 /nfs/dbraw/zinc/65/80/47/562658047.db2.gz KBBTZNWIQSYFEJ-LJQANCHMSA-N 1 0 521.587 5.738 1 0 KKAFRO CC(C)[NH+]1CCC(Oc2ccc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168976 562658119 /nfs/dbraw/zinc/65/81/19/562658119.db2.gz HTHWWQRUXVIKQR-YTTGMZPUSA-N 1 0 518.145 6.499 1 0 KKAFRO O=C(NC[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169110 562658238 /nfs/dbraw/zinc/65/82/38/562658238.db2.gz QHRVZLGUVNELPH-KRWDZBQOSA-N 1 0 512.519 6.705 1 0 KKAFRO COc1ccc2c(c1C1CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)CC1)CCCC2 ZINC000045188159 562658263 /nfs/dbraw/zinc/65/82/63/562658263.db2.gz CUBLLJHFBIQRIH-UHFFFAOYSA-N 1 0 532.128 6.679 1 0 KKAFRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188644 562658299 /nfs/dbraw/zinc/65/82/99/562658299.db2.gz SLBYFXHYNULWMQ-LJQANCHMSA-N 1 0 501.574 5.644 1 0 KKAFRO COc1ccc(CNC(=O)Nc2cc3cc(-c4ccc(C[NH+]5CCCC5)cc4)ccc3n3c(C)nnc23)cc1 ZINC000045190539 562658495 /nfs/dbraw/zinc/65/84/95/562658495.db2.gz DBWWBBUPCSQWMN-UHFFFAOYSA-N 1 0 520.637 5.784 1 0 KKAFRO COc1cccc([C@H]2CCC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000045191164 562658496 /nfs/dbraw/zinc/65/84/96/562658496.db2.gz MLJFSDZNUOCAJI-VWLOTQADSA-N 1 0 520.073 5.991 1 0 KKAFRO COc1ccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1Cl ZINC000045190373 562658521 /nfs/dbraw/zinc/65/85/21/562658521.db2.gz OJFNYWXESSXTLQ-MDWZMJQESA-N 1 0 533.500 5.542 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC[C@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045191851 562658572 /nfs/dbraw/zinc/65/85/72/562658572.db2.gz KFTIZENUPDYMNE-OBRGEADQSA-N 1 0 524.536 7.290 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC([NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000045192682 562658613 /nfs/dbraw/zinc/65/86/13/562658613.db2.gz OKMWVBYFLZHLEM-WTDSWWLTSA-N 1 0 512.481 6.501 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045193085 562658718 /nfs/dbraw/zinc/65/87/18/562658718.db2.gz PEFHORCHHWGDBL-ZAHGZRRWSA-N 1 0 522.904 6.297 1 0 KKAFRO COc1cc(C)ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045193281 562658730 /nfs/dbraw/zinc/65/87/30/562658730.db2.gz PMUOTAGCFAWKRS-UHFFFAOYSA-N 1 0 535.088 5.242 1 0 KKAFRO Cc1noc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)n1 ZINC000045194699 562658831 /nfs/dbraw/zinc/65/88/31/562658831.db2.gz MZWUIKWINQGRKS-AWNIVKPZSA-N 1 0 502.634 5.363 1 0 KKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000045196227 562658992 /nfs/dbraw/zinc/65/89/92/562658992.db2.gz PLKFRNSVJBWRHH-UHFFFAOYSA-N 1 0 515.535 6.992 1 0 KKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)s3)CC2)cc1 ZINC000045201014 562659006 /nfs/dbraw/zinc/65/90/06/562659006.db2.gz QVHSABVFHGJKBY-UHFFFAOYSA-N 1 0 500.630 7.126 1 0 KKAFRO O=C(/C=C/c1c(Cl)cccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201679 562659055 /nfs/dbraw/zinc/65/90/55/562659055.db2.gz RAYLBASDNVOLAN-OUKQBFOZSA-N 1 0 510.509 7.043 1 0 KKAFRO S=C(Nc1ccc2c(c1)OCCO2)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201790 562659101 /nfs/dbraw/zinc/65/91/01/562659101.db2.gz LQCNFZRBGVQBIL-UHFFFAOYSA-N 1 0 504.700 5.664 1 0 KKAFRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)s3)CC2)cc1 ZINC000045201732 562659108 /nfs/dbraw/zinc/65/91/08/562659108.db2.gz VKOXBNZGKJNJFC-UHFFFAOYSA-N 1 0 501.574 5.787 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3coc4ccccc43)CC2)CC1 ZINC000045201818 562659130 /nfs/dbraw/zinc/65/91/30/562659130.db2.gz FZQXELWXZNSPGV-XYOKQWHBSA-N 1 0 511.493 7.307 1 0 KKAFRO C[N@H+](CCCNC(=S)NC12CC3CC(CC(C3)C1)C2)CCCNc1ccnc2cc(Cl)ccc21 ZINC000045210272 562659295 /nfs/dbraw/zinc/65/92/95/562659295.db2.gz YDZUUUIVDVFNBA-UHFFFAOYSA-N 1 0 500.156 5.445 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000045227745 562659412 /nfs/dbraw/zinc/65/94/12/562659412.db2.gz XOXRPFUBUFLKIG-ZRDIBKRKSA-N 1 0 518.488 7.184 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1 ZINC000045228989 562659477 /nfs/dbraw/zinc/65/94/77/562659477.db2.gz YZZWANJLTBGWMU-UHFFFAOYSA-N 1 0 528.619 6.192 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3cc[nH+]c4ccc(N)cc34)c2)cc1 ZINC000045259200 562659976 /nfs/dbraw/zinc/65/99/76/562659976.db2.gz VOLXCNVOKHMTKN-UHFFFAOYSA-N 1 0 505.626 6.996 1 0 in-vitro KKAFRO CC(C)[NH+]1CCC(NC(=O)N2CCCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC2)CC1 ZINC000045301224 562660475 /nfs/dbraw/zinc/66/04/75/562660475.db2.gz GRSDFMCFUQXBOO-UHFFFAOYSA-N 1 0 513.111 5.106 1 0 KKAFRO Cc1nc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CC[NH+](C)CC7)c6cc54)cccc23)no1 ZINC000045301674 562660553 /nfs/dbraw/zinc/66/05/53/562660553.db2.gz MSHBRSCHDOLYKJ-UHFFFAOYSA-N 1 0 519.609 5.093 1 0 KKAFRO CCCCCC(=O)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045302352 562660606 /nfs/dbraw/zinc/66/06/06/562660606.db2.gz VIJJLJBURAKXBH-GDLZYMKVSA-N 1 0 517.541 6.898 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1ccc(OCC[NH+]2CCCC2)c2ccccc12 ZINC000045303031 562660770 /nfs/dbraw/zinc/66/07/70/562660770.db2.gz QFQKAUNRLRTQKQ-UHFFFAOYSA-N 1 0 516.066 6.455 1 0 KKAFRO COc1cccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000045324181 562661162 /nfs/dbraw/zinc/66/11/62/562661162.db2.gz BSKGEGLDQSBBAF-UHFFFAOYSA-N 1 0 520.073 5.991 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncc[nH]4)cc3C)cc1)CC2 ZINC000045334524 562661246 /nfs/dbraw/zinc/66/12/46/562661246.db2.gz HTGILZNELBSZCT-FGZHOGPDSA-N 1 0 521.665 5.450 1 0 KKAFRO COc1cc(NC(=O)/C=C/c2ccccc2Cl)cc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000045334970 562661297 /nfs/dbraw/zinc/66/12/97/562661297.db2.gz AZXHPJMZQQRHDH-VAWYXSNFSA-N 1 0 507.030 5.363 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000045334894 562661347 /nfs/dbraw/zinc/66/13/47/562661347.db2.gz OTHJNXKQAVDJEW-PKNBQFBNSA-N 1 0 521.464 5.718 1 0 KKAFRO O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000045366090 562662034 /nfs/dbraw/zinc/66/20/34/562662034.db2.gz JDFLEUYRGZPZQD-JGCGQSQUSA-N 1 0 528.618 7.161 1 0 KKAFRO O=C(c1ccc(Cl)cc1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000048307246 562662884 /nfs/dbraw/zinc/66/28/84/562662884.db2.gz FXYIXDRALCQPTK-PMERELPUSA-N 1 0 557.949 7.284 1 0 KKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000048307280 562662896 /nfs/dbraw/zinc/66/28/96/562662896.db2.gz YULHSCHRHAVYAX-UIOOFZCWSA-N 1 0 548.609 5.977 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000048307301 562662911 /nfs/dbraw/zinc/66/29/11/562662911.db2.gz BXUUZIADYSJDFA-RZBOESAMSA-N 1 0 585.498 6.846 1 0 KKAFRO CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCC[NH+](C(C)C)C(C)C)cc4)c3)ncc2nc1-c1nonc1N ZINC000048307314 562662931 /nfs/dbraw/zinc/66/29/31/562662931.db2.gz BKBUNKPDASGAMW-UHFFFAOYSA-N 1 0 584.681 5.626 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307313 562662976 /nfs/dbraw/zinc/66/29/76/562662976.db2.gz BDNFLJUVYRSWSN-GDLZYMKVSA-N 1 0 703.555 9.582 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC(C)=O)c1 ZINC000048307363 562662988 /nfs/dbraw/zinc/66/29/88/562662988.db2.gz BURXNGZCCQJKNK-UHFFFAOYSA-N 1 0 576.137 6.470 1 0 KKAFRO CNS(=O)(=O)c1ccc2c(c1)nc(C1CC[NH+](CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC1)n2C ZINC000048307355 562662989 /nfs/dbraw/zinc/66/29/89/562662989.db2.gz CBHROQOUDNMHKK-WUXMJOGZSA-N 1 0 618.631 5.356 1 0 KKAFRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307340 562662995 /nfs/dbraw/zinc/66/29/95/562662995.db2.gz BLZPLDNMGSLTPO-FAKWYAOSSA-N 1 0 580.984 6.337 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc(-c2ccccc2Cl)oc1C(F)(F)F ZINC000048307368 562663018 /nfs/dbraw/zinc/66/30/18/562663018.db2.gz CCRMISKCOHSPAV-UHFFFAOYSA-N 1 0 584.082 8.268 1 0 KKAFRO Cc1noc(C)c1-c1ccc2c(c1)ncc(C(=O)NCc1ccc(OC(C)C)cc1)c2Nc1ccccc1C(C)(C)C ZINC000048308822 562663123 /nfs/dbraw/zinc/66/31/23/562663123.db2.gz CIUUDDYPBATRJF-UHFFFAOYSA-N 1 0 562.714 8.265 1 0 KKAFRO CCCC[C@H]1CN(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998249 562663189 /nfs/dbraw/zinc/66/31/89/562663189.db2.gz IDEGMDBRNXENQR-SANMLTNESA-N 1 0 539.765 5.372 1 0 KKAFRO CCCC[C@@H]1N(CC2CCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048999496 562663199 /nfs/dbraw/zinc/66/31/99/562663199.db2.gz BQGPVKKNJCGGSP-MHZLTWQESA-N 1 0 509.735 5.944 1 0 KKAFRO CC(C)([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc43)cc2)cc1 ZINC000049017789 562663345 /nfs/dbraw/zinc/66/33/45/562663345.db2.gz DOCCZRBITWYFJS-UHFFFAOYSA-N 1 0 530.694 5.977 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049032699 562663380 /nfs/dbraw/zinc/66/33/80/562663380.db2.gz IVCDTDIZAJTORZ-UHFFFAOYSA-N 1 0 500.487 6.433 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000049033715 562663459 /nfs/dbraw/zinc/66/34/59/562663459.db2.gz URICTYNITRPTLS-UZTOHYMASA-N 1 0 524.521 6.401 1 0 KKAFRO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(Cl)cc1 ZINC000049045570 562663642 /nfs/dbraw/zinc/66/36/42/562663642.db2.gz GNMRPRCSBHLFTD-UHFFFAOYSA-N 1 0 523.430 7.788 1 0 KKAFRO O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1 ZINC000049052578 562663829 /nfs/dbraw/zinc/66/38/29/562663829.db2.gz CWHICZHLMPSAEJ-PMERELPUSA-N 1 0 517.633 5.117 1 0 KKAFRO Oc1ccc(C[NH+](Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049067325 562663936 /nfs/dbraw/zinc/66/39/36/562663936.db2.gz QVLDEPRMLWEBHN-UHFFFAOYSA-N 1 0 505.496 6.295 1 0 KKAFRO CCCC[C@H]1N(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049114609 562664694 /nfs/dbraw/zinc/66/46/94/562664694.db2.gz GSGHHANFVYYMSM-HHHXNRCGSA-N 1 0 525.734 5.180 1 0 KKAFRO C[C@H](Nc1cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3ccccc3c2)cc[nH+]1)c1ccccc1 ZINC000049114490 562664716 /nfs/dbraw/zinc/66/47/16/562664716.db2.gz VIRXXMFAHIWTKJ-QFIPXVFZSA-N 1 0 511.622 6.943 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049604966 562665127 /nfs/dbraw/zinc/66/51/27/562665127.db2.gz QMLJBMPSZMCTSH-UMSFTDKQSA-N 1 0 645.599 6.871 1 0 KKAFRO O=C(N[C@H](CCC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049605077 562665273 /nfs/dbraw/zinc/66/52/73/562665273.db2.gz JJZOMLNPXSJJBP-HHHXNRCGSA-N 1 0 645.471 8.804 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)c(C)c(=O)cc1CCc1cccc(F)c1F ZINC000049605114 562665323 /nfs/dbraw/zinc/66/53/23/562665323.db2.gz JQWVMQPMTCHLGX-UHFFFAOYSA-N 1 0 653.736 7.585 1 0 KKAFRO Cc1ccc(Cn2ncc(N3C[C@@H](C)[NH2+][C@H](C)C3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049605217 562665522 /nfs/dbraw/zinc/66/55/22/562665522.db2.gz SIRXXNTVMWWBRG-FGZHOGPDSA-N 1 0 557.098 5.751 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)nn(C)c2n1 ZINC000049605355 562665747 /nfs/dbraw/zinc/66/57/47/562665747.db2.gz GLDWMXGARJSCNP-UHFFFAOYSA-N 1 0 558.584 5.976 1 0 KKAFRO CC[C@@H](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605361 562665766 /nfs/dbraw/zinc/66/57/66/562665766.db2.gz LGRMYYUELOYAIG-GQYOUUAKSA-N 1 0 676.848 5.445 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccccc1F ZINC000049605370 562665798 /nfs/dbraw/zinc/66/57/98/562665798.db2.gz IUIUOCXCZFKWGS-UHFFFAOYSA-N 1 0 658.740 7.377 1 0 KKAFRO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1F)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605447 562665897 /nfs/dbraw/zinc/66/58/97/562665897.db2.gz FCJGYJURPSGZDP-GNXRPPCSSA-N 1 0 614.511 7.087 1 0 KKAFRO COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605448 562665940 /nfs/dbraw/zinc/66/59/40/562665940.db2.gz WQQCWWFROVXTDG-PXLJZGITSA-N 1 0 678.661 5.736 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCCS1(=O)=O ZINC000049605484 562665960 /nfs/dbraw/zinc/66/59/60/562665960.db2.gz GXMVCQXICMCGKE-BHDXBOSCSA-N 1 0 610.865 5.488 1 0 KKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049605552 562666006 /nfs/dbraw/zinc/66/60/06/562666006.db2.gz XRKNHDMTIPFKJX-UHFFFAOYSA-N 1 0 566.590 7.765 1 0 KKAFRO CC(C)CC(=O)NC1CC[NH+](Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000049605607 562666099 /nfs/dbraw/zinc/66/60/99/562666099.db2.gz UARNNAMLRIDFLR-QHCPKHFHSA-N 1 0 560.808 6.789 1 0 KKAFRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)nc2ccc(OC)cc21 ZINC000049605679 562666235 /nfs/dbraw/zinc/66/62/35/562666235.db2.gz JOJOMIIGFIWIPH-AZZOCYCNSA-N 1 0 536.116 5.539 1 0 KKAFRO O=C1c2ccccc2C(=O)N1CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000049605741 562666281 /nfs/dbraw/zinc/66/62/81/562666281.db2.gz JBCSGFMNXKTZTA-UHFFFAOYSA-N 1 0 654.359 5.320 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605729 562666302 /nfs/dbraw/zinc/66/63/02/562666302.db2.gz FWOCVWATTUPVMG-SLFFLAALSA-N 1 0 572.364 6.586 1 0 KKAFRO CCCCCCOc1ccc(C(=O)NCCC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049605794 562666358 /nfs/dbraw/zinc/66/63/58/562666358.db2.gz QOUPAVXNDDTMQS-DMYUTJGESA-N 1 0 630.701 8.174 1 0 KKAFRO C[N@H+](CCC1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000049605787 562666362 /nfs/dbraw/zinc/66/63/62/562666362.db2.gz QSEVSIAYNBVATP-NTUHNPAUSA-N 1 0 538.563 7.775 1 0 KKAFRO O=C(NCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614811 562666568 /nfs/dbraw/zinc/66/65/68/562666568.db2.gz DYQPWUWERYOCLA-UHFFFAOYSA-N 1 0 695.735 10.533 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625444 562666776 /nfs/dbraw/zinc/66/67/76/562666776.db2.gz UOYHHUKUSBEJQM-BDTNDASRSA-N 1 0 537.919 5.933 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cccc3ccccc32)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049625549 562666819 /nfs/dbraw/zinc/66/68/19/562666819.db2.gz QTGJUCFUBLLVJA-UHFFFAOYSA-N 1 0 541.095 6.078 1 0 KKAFRO C[C@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)c3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000049625663 562666841 /nfs/dbraw/zinc/66/68/41/562666841.db2.gz BAEPGMVUGRRLAR-SFTDATJTSA-N 1 0 543.071 5.443 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049625557 562666843 /nfs/dbraw/zinc/66/68/43/562666843.db2.gz SMHAPKLCQPNTCB-XIFFEERXSA-N 1 0 628.597 7.049 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CCCCn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049625585 562666845 /nfs/dbraw/zinc/66/68/45/562666845.db2.gz SWLUIOMXLMYNGC-UHFFFAOYSA-N 1 0 730.822 8.829 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCC[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000049625927 562666933 /nfs/dbraw/zinc/66/69/33/562666933.db2.gz VJANPVJPXMGRHJ-XBXARRHUSA-N 1 0 540.535 7.092 1 0 KKAFRO CCOc1cc(C(C)C)ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049626153 562667074 /nfs/dbraw/zinc/66/70/74/562667074.db2.gz WBOCJAXKIUZHHM-UHFFFAOYSA-N 1 0 577.169 6.447 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626796 562667326 /nfs/dbraw/zinc/66/73/26/562667326.db2.gz FWQUBVLQAGQEGZ-UHFFFAOYSA-N 1 0 687.753 8.264 1 0 KKAFRO CCOc1cc(C)ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049626788 562667351 /nfs/dbraw/zinc/66/73/51/562667351.db2.gz LWXAHYBVENAXMF-UHFFFAOYSA-N 1 0 549.115 5.632 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000049626805 562667400 /nfs/dbraw/zinc/66/74/00/562667400.db2.gz SSBXLIOFVZGGIK-DYIKCSJPSA-N 1 0 563.142 5.342 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2CCN(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000049626989 562667465 /nfs/dbraw/zinc/66/74/65/562667465.db2.gz RYOWOQJZHJTYQC-UHFFFAOYSA-N 1 0 633.637 5.557 1 0 KKAFRO O=C(/C=C/c1ccccc1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049626920 562667485 /nfs/dbraw/zinc/66/74/85/562667485.db2.gz RPUKBLXBSWLIOP-RJLVRWHWSA-N 1 0 549.542 7.031 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)C=C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049654598 562668102 /nfs/dbraw/zinc/66/81/02/562668102.db2.gz OKLABRSRAVXCGT-ISLYRVAYSA-N 1 0 573.686 5.656 1 0 KKAFRO CC(C)C[N@@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678971 562668709 /nfs/dbraw/zinc/66/87/09/562668709.db2.gz NHTDUDJODVJSJH-IADCTJSHSA-N 1 0 548.695 5.643 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@@H]1CCCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694579 562669509 /nfs/dbraw/zinc/66/95/09/562669509.db2.gz NNHSNTVSIBPBEP-VWLOTQADSA-N 1 0 544.186 5.946 1 0 KKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCC(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049694961 562670050 /nfs/dbraw/zinc/67/00/50/562670050.db2.gz NIBPZSMLIVDUPL-UHFFFAOYSA-N 1 0 606.425 7.754 1 0 KKAFRO CCOc1ccc(C(OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c2ccc(OCC)cc2)c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 ZINC000049695057 562670112 /nfs/dbraw/zinc/67/01/12/562670112.db2.gz XRSSEEYWANEWJZ-LQFQNGICSA-N 1 0 716.916 6.095 1 0 KKAFRO C[C@@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000049695344 562670444 /nfs/dbraw/zinc/67/04/44/562670444.db2.gz LENKUUPXOOPDDB-HXUWFJFHSA-N 1 0 621.440 6.800 1 0 KKAFRO COc1ccccc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049710050 562671509 /nfs/dbraw/zinc/67/15/09/562671509.db2.gz USCWJPZRMKKICH-OOBQRLTLSA-N 1 0 544.523 5.548 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@H](NC(=O)NCc3ccccc3Cl)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049710016 562671519 /nfs/dbraw/zinc/67/15/19/562671519.db2.gz XGGIQPIDJMSEAH-MHZLTWQESA-N 1 0 636.045 6.391 1 0 KKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccnc2)ccc1OCC[NH+]1CCCC1 ZINC000049710174 562671565 /nfs/dbraw/zinc/67/15/65/562671565.db2.gz MMQPXMZTPMHXRG-UHFFFAOYSA-N 1 0 577.106 6.451 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)c1 ZINC000049710274 562671645 /nfs/dbraw/zinc/67/16/45/562671645.db2.gz YDAAPBIJADYDIL-UHFFFAOYSA-N 1 0 558.629 8.539 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049710576 562671757 /nfs/dbraw/zinc/67/17/57/562671757.db2.gz VDAYUAOXFHEWAE-UHFFFAOYSA-N 1 0 676.780 7.884 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710900 562671858 /nfs/dbraw/zinc/67/18/58/562671858.db2.gz JBTYSKIUPAUNTK-HHHXNRCGSA-N 1 0 645.471 8.515 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710858 562671874 /nfs/dbraw/zinc/67/18/74/562671874.db2.gz NXBWPAZUEFONEN-WNOXWKSXSA-N 1 0 649.792 5.176 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Br)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049710909 562671893 /nfs/dbraw/zinc/67/18/93/562671893.db2.gz QOZGHIUNJSEXRJ-UHFFFAOYSA-N 1 0 687.629 7.260 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)c1ccc(-c2ccc(NC(=O)OC)cc2C)cc1 ZINC000049711159 562671984 /nfs/dbraw/zinc/67/19/84/562671984.db2.gz VKMCVLGTIUQFDX-UHFFFAOYSA-N 1 0 617.712 8.510 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000049722530 562672156 /nfs/dbraw/zinc/67/21/56/562672156.db2.gz SIMPAUSRUFGCQJ-PKNBQFBNSA-N 1 0 537.919 6.233 1 0 KKAFRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722592 562672205 /nfs/dbraw/zinc/67/22/05/562672205.db2.gz JLOWWZLDDROYCZ-WJOKGBTCSA-N 1 0 688.741 7.659 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049722591 562672210 /nfs/dbraw/zinc/67/22/10/562672210.db2.gz WKKXFGIJMRPOAF-HHHXNRCGSA-N 1 0 670.490 7.044 1 0 KKAFRO Cc1cc(F)ccc1-c1nc(NCCC[NH2+]CCc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049722596 562672226 /nfs/dbraw/zinc/67/22/26/562672226.db2.gz SFKJKXWNXBEJOA-UHFFFAOYSA-N 1 0 543.593 5.808 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccc(C)cc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722599 562672271 /nfs/dbraw/zinc/67/22/71/562672271.db2.gz FWHSDMDOOKGMIM-UHFFFAOYSA-N 1 0 690.757 7.825 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049722644 562672315 /nfs/dbraw/zinc/67/23/15/562672315.db2.gz SNJHTFZUNBOZOI-KEPSJGTLSA-N 1 0 607.261 5.208 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)/C=C/c2cc(C(F)(F)F)ccc2F)CC1 ZINC000049722950 562672723 /nfs/dbraw/zinc/67/27/23/562672723.db2.gz XDSQUJOGDWPROR-YOYBCKCWSA-N 1 0 628.538 7.383 1 0 KKAFRO C[NH+](C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3)c(C(N)=O)c1N2 ZINC000049723054 562672860 /nfs/dbraw/zinc/67/28/60/562672860.db2.gz QPJJXMQGPKKSPO-UHFFFAOYSA-N 1 0 594.503 5.840 1 0 KKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049723092 562672905 /nfs/dbraw/zinc/67/29/05/562672905.db2.gz LWUVOPFFGHOXHU-UHFFFAOYSA-N 1 0 607.413 6.663 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NCC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000049723332 562673250 /nfs/dbraw/zinc/67/32/50/562673250.db2.gz SKNBZKOALBZSMP-UHFFFAOYSA-N 1 0 537.648 5.528 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049745031 562673647 /nfs/dbraw/zinc/67/36/47/562673647.db2.gz KCQAMDDVQXZDMS-OIDHKYIRSA-N 1 0 692.923 5.114 1 0 in-vitro KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049745158 562673731 /nfs/dbraw/zinc/67/37/31/562673731.db2.gz GOODGRVFFQXMQC-KHMHUBCMSA-N 1 0 634.592 6.783 1 0 KKAFRO CC(C)CCNC(=O)[C@@H]1Cc2c3ccc(Br)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049745300 562673796 /nfs/dbraw/zinc/67/37/96/562673796.db2.gz GVQLRRQPASVGAZ-SANMLTNESA-N 1 0 537.546 5.141 1 0 KKAFRO COc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1Cl ZINC000049745902 562674140 /nfs/dbraw/zinc/67/41/40/562674140.db2.gz MSYAHRCNOHSBDM-UHFFFAOYSA-N 1 0 554.518 6.644 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049756681 562675187 /nfs/dbraw/zinc/67/51/87/562675187.db2.gz KHEXPUZMPCBDCB-UHFFFAOYSA-N 1 0 570.719 5.684 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756859 562675275 /nfs/dbraw/zinc/67/52/75/562675275.db2.gz QIDWHGYCMKSPBT-AJQTZOPKSA-N 1 0 545.724 5.033 1 0 KKAFRO [NH2+]=C(Cc1c(C(=O)N2CCC(c3ncccn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO ZINC000049757012 562675431 /nfs/dbraw/zinc/67/54/31/562675431.db2.gz VNFWCKINCFNIHP-UHFFFAOYSA-N 1 0 550.450 5.154 1 0 KKAFRO CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757226 562675741 /nfs/dbraw/zinc/67/57/41/562675741.db2.gz HWLAFZXKYIUVHI-SZAHLOSFSA-N 1 0 636.859 5.062 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1cccc(Oc3ccc(F)cc3)c1)CC2 ZINC000049757352 562675887 /nfs/dbraw/zinc/67/58/87/562675887.db2.gz ZFCPCEXARXCKTA-PMERELPUSA-N 1 0 549.731 6.093 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@H](Oc3cccc4ccccc43)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049757460 562676040 /nfs/dbraw/zinc/67/60/40/562676040.db2.gz QOGSMHDQGODXBS-HHMOXRITSA-N 1 0 637.846 8.018 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(C)c1 ZINC000049757508 562676064 /nfs/dbraw/zinc/67/60/64/562676064.db2.gz MZWALFBOTNMRTP-UHFFFAOYSA-N 1 0 554.720 5.983 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1cccc(Sc3ccccc3)c1)CC2 ZINC000049762144 562676338 /nfs/dbraw/zinc/67/63/38/562676338.db2.gz MTNIXVKNTZJBNP-PMERELPUSA-N 1 0 547.809 6.312 1 0 KKAFRO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049766919 562677252 /nfs/dbraw/zinc/67/72/52/562677252.db2.gz LAYRJSCDMHXVHX-DFBJGRDBSA-N 1 0 538.947 7.157 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCC[NH3+])ncn1 ZINC000049775429 562679081 /nfs/dbraw/zinc/67/90/81/562679081.db2.gz GMIVUSAKVGKIOC-UHFFFAOYSA-N 1 0 574.611 6.289 1 0 KKAFRO C[C@@H](c1ccc(C(=O)c2ccccc2)cc1OCCC[NH+]1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776243 562679271 /nfs/dbraw/zinc/67/92/71/562679271.db2.gz YHPYQGLAAHGHLS-DEOSSOPVSA-N 1 0 639.164 7.670 1 0 KKAFRO COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 ZINC000049776985 562679498 /nfs/dbraw/zinc/67/94/98/562679498.db2.gz MWXNEDJGFIJNMF-HKBQPEDESA-N 1 0 630.830 5.036 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc3)c4N)cc2)CC1 ZINC000049777126 562679706 /nfs/dbraw/zinc/67/97/06/562679706.db2.gz FIENVLBRUWEWDS-UHFFFAOYSA-N 1 0 571.607 5.668 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[C@@H]2COCC[NH2+]2)ncn1 ZINC000049777420 562679981 /nfs/dbraw/zinc/67/99/81/562679981.db2.gz XPIADKIXMMYTSD-RUZDIDTESA-N 1 0 630.675 6.319 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC([N@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777427 562680051 /nfs/dbraw/zinc/68/00/51/562680051.db2.gz FRIBUZAMFTUFSB-PMERELPUSA-N 1 0 630.899 5.945 1 0 KKAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000049777761 562680462 /nfs/dbraw/zinc/68/04/62/562680462.db2.gz DEBVVLYIQFVSES-UHFFFAOYSA-N 1 0 545.043 5.181 1 0 KKAFRO C[C@@H](Cc1ccc2ocnc2c1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049777831 562680603 /nfs/dbraw/zinc/68/06/03/562680603.db2.gz NVRFWMASOFUUJK-BJTUFNSYSA-N 1 0 536.667 5.372 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049777943 562680696 /nfs/dbraw/zinc/68/06/96/562680696.db2.gz WAXDXILODHFGIE-UXBLZVDNSA-N 1 0 605.916 7.205 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1 ZINC000049777924 562680734 /nfs/dbraw/zinc/68/07/34/562680734.db2.gz SDWSXUZGRDKRFJ-LJAQVGFWSA-N 1 0 591.818 6.322 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049777954 562680726 /nfs/dbraw/zinc/68/07/26/562680726.db2.gz ZTSUCMUSESFEGF-ISLYRVAYSA-N 1 0 561.675 5.356 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCC[NH3+])ncn1 ZINC000049777944 562680738 /nfs/dbraw/zinc/68/07/38/562680738.db2.gz KIMGPUJDZNAMSM-UHFFFAOYSA-N 1 0 546.557 5.509 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CC[NH+](CCCc2c[nH]c3ccccc23)CC1 ZINC000049777979 562680777 /nfs/dbraw/zinc/68/07/77/562680777.db2.gz ITDADHRHXNLGNN-UHFFFAOYSA-N 1 0 561.524 6.255 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049778310 562681179 /nfs/dbraw/zinc/68/11/79/562681179.db2.gz IMQBTGWOTKESLU-FREGXXQWSA-N 1 0 709.517 8.558 1 0 KKAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNc4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000049778335 562681186 /nfs/dbraw/zinc/68/11/86/562681186.db2.gz QSKSHYAAYVBXCL-UHFFFAOYSA-N 1 0 671.651 5.697 1 0 KKAFRO CC(C)C[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049780267 562681518 /nfs/dbraw/zinc/68/15/18/562681518.db2.gz INGULWRLHYWXJR-VSGBNLITSA-N 1 0 621.829 5.933 1 0 KKAFRO O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)CC[NH2+]C1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780321 562681645 /nfs/dbraw/zinc/68/16/45/562681645.db2.gz LEPZPTOEMLDSMH-UHFFFAOYSA-N 1 0 605.940 7.875 1 0 KKAFRO O=C([C@@H](C[NH2+]Cc1ccccc1)Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780754 562682208 /nfs/dbraw/zinc/68/22/08/562682208.db2.gz PPBSDRHRLCOCPR-MUUNZHRXSA-N 1 0 672.043 9.076 1 0 KKAFRO [NH3+]C[C@@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780779 562682260 /nfs/dbraw/zinc/68/22/60/562682260.db2.gz ARKBMNLTGFBKCG-OAQYLSRUSA-N 1 0 581.918 7.245 1 0 KKAFRO O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CC[NH2+]C4)n2)c1 ZINC000049780838 562682265 /nfs/dbraw/zinc/68/22/65/562682265.db2.gz NWGRWOHGDXCBOV-UHFFFAOYSA-N 1 0 557.683 6.090 1 0 KKAFRO [NH3+]CC[C@@H](CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 ZINC000049780824 562682298 /nfs/dbraw/zinc/68/22/98/562682298.db2.gz SJQLWFYLRHHGAF-NRFANRHFSA-N 1 0 595.945 7.950 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCC[NH+]5CCC(O)CC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049781095 562682610 /nfs/dbraw/zinc/68/26/10/562682610.db2.gz VTMCXPIYMFDLKI-UHFFFAOYSA-N 1 0 601.633 5.598 1 0 KKAFRO COCCOc1ccc(Cl)c(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781150 562682727 /nfs/dbraw/zinc/68/27/27/562682727.db2.gz OSMJTLDDZBOMDZ-VWLOTQADSA-N 1 0 634.044 7.301 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5c(ccn5CC(F)(F)F)c(N5CCOCC5)n4)cc3)cc2)CC1 ZINC000049781246 562682850 /nfs/dbraw/zinc/68/28/50/562682850.db2.gz QRQHRPXNUZROOQ-UHFFFAOYSA-N 1 0 650.706 5.307 1 0 KKAFRO CCC[N@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049781299 562682903 /nfs/dbraw/zinc/68/29/03/562682903.db2.gz WJKLZROERAPTFV-WPLJCJQWSA-N 1 0 607.739 5.168 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784076 562683426 /nfs/dbraw/zinc/68/34/26/562683426.db2.gz GZPYZOSKISZVND-VWLOTQADSA-N 1 0 633.060 7.249 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2csc3nc(-c4ccc(OCc5ccccc5)cc4)nn23)cc1 ZINC000049785931 562684153 /nfs/dbraw/zinc/68/41/53/562684153.db2.gz LQMXUPZHUMIOCR-UHFFFAOYSA-N 1 0 537.689 5.920 1 0 KKAFRO C[C@@H](NC(=O)c1cc(-c2ccc([C@@](C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049793402 562684821 /nfs/dbraw/zinc/68/48/21/562684821.db2.gz SPQNHSZTLTXJJP-KEEVHDRGSA-N 1 0 549.668 5.389 1 0 KKAFRO CSc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 ZINC000049793406 562684824 /nfs/dbraw/zinc/68/48/24/562684824.db2.gz TYQZZRQBYYICKJ-KKUQBAQOSA-N 1 0 620.738 6.206 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCC[NH+]5CCCC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049793725 562685114 /nfs/dbraw/zinc/68/51/14/562685114.db2.gz IQTMKKLAPIHCBO-UHFFFAOYSA-N 1 0 571.607 6.237 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC ZINC000049841468 562688392 /nfs/dbraw/zinc/68/83/92/562688392.db2.gz QXJNTMSGRQZRFO-IWWXRALLSA-N 1 0 649.754 7.822 1 0 KKAFRO O=C(N[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049867437 562689496 /nfs/dbraw/zinc/68/94/96/562689496.db2.gz SZQLNXSQHMITIF-IBGZPJMESA-N 1 0 541.317 5.235 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917565 562693577 /nfs/dbraw/zinc/69/35/77/562693577.db2.gz IPQMMHOXXCGSDM-BHDDXSALSA-N 1 0 571.471 6.298 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917560 562693580 /nfs/dbraw/zinc/69/35/80/562693580.db2.gz DPBDEJSHFAVZAV-LEWJYISDSA-N 1 0 603.488 6.781 1 0 KKAFRO COc1cc(C=CC(=O)NC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917606 562693628 /nfs/dbraw/zinc/69/36/28/562693628.db2.gz KLFABNHTMURDPS-UROCCOEBSA-N 1 0 684.429 5.860 1 0 KKAFRO O=C(C=Cc1cccs1)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049917729 562693784 /nfs/dbraw/zinc/69/37/84/562693784.db2.gz GWIJKTFOQUSAQV-KDLSMAQYSA-N 1 0 630.406 6.077 1 0 KKAFRO CC[C@@H](C[C@@H]([NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1)c1ccccc1OC ZINC000049917801 562693936 /nfs/dbraw/zinc/69/39/36/562693936.db2.gz DVBJCFUDWUVXHF-OOOSNSGVSA-N 1 0 598.187 8.026 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000049917844 562694041 /nfs/dbraw/zinc/69/40/41/562694041.db2.gz MCQIQEOGRLGUOC-YOEZECILSA-N 1 0 543.495 5.355 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OC[C@@H](O)c2ccc(Cl)cc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917873 562694106 /nfs/dbraw/zinc/69/41/06/562694106.db2.gz HGSDMSIJNZILEW-KXQOOQHDSA-N 1 0 705.261 9.407 1 0 KKAFRO O=c1cc(NCC[C@H](CNCc2ccc(Br)o2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917933 562694197 /nfs/dbraw/zinc/69/41/97/562694197.db2.gz MOWMGWIMHWQDLU-LJQANCHMSA-N 1 0 653.213 6.159 1 0 KKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000049917969 562694255 /nfs/dbraw/zinc/69/42/55/562694255.db2.gz DLUFNTLZGDMTMS-UHFFFAOYSA-N 1 0 535.591 6.609 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccc(Cl)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049918029 562694348 /nfs/dbraw/zinc/69/43/48/562694348.db2.gz CPOZHXWBGUMLEA-MGBGTMOVSA-N 1 0 648.027 7.310 1 0 KKAFRO CC(C)(C)[NH2+]CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000049918103 562694472 /nfs/dbraw/zinc/69/44/72/562694472.db2.gz LENNSJVMOJSLTL-UHFFFAOYSA-N 1 0 666.785 7.266 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)[C@H]3COc4ccccc4O3)cs2)cc1 ZINC000049918141 562694475 /nfs/dbraw/zinc/69/44/75/562694475.db2.gz XBRJRQXGAQVGAQ-MUUNZHRXSA-N 1 0 545.709 5.155 1 0 KKAFRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918195 562694621 /nfs/dbraw/zinc/69/46/21/562694621.db2.gz RHQJYCMVXLUQDC-FXDWHETJSA-N 1 0 595.011 6.632 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000049918258 562694638 /nfs/dbraw/zinc/69/46/38/562694638.db2.gz IONJJIDMPXPECU-UHFFFAOYSA-N 1 0 710.783 6.618 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049938215 562695171 /nfs/dbraw/zinc/69/51/71/562695171.db2.gz WZCRTOKSBDFVAS-FIBWVYCGSA-N 1 0 675.072 7.905 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000049938424 562695269 /nfs/dbraw/zinc/69/52/69/562695269.db2.gz DUTXSEWRTZPJLR-ZHAMFGDSSA-N 1 0 691.889 5.986 1 0 KKAFRO Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053206605 562696502 /nfs/dbraw/zinc/69/65/02/562696502.db2.gz RTGBHFYSFQEMPE-UHFFFAOYSA-N 1 0 604.637 6.196 1 0 KKAFRO CCOc1ccccc1Oc1nc(Nc2ccc(N3CC[NH2+]CC3)cc2)ncc1C(=O)Nc1c(C)cccc1C ZINC000053276054 562697009 /nfs/dbraw/zinc/69/70/09/562697009.db2.gz HXBMTVMACYGAGE-UHFFFAOYSA-N 1 0 538.652 5.690 1 0 KKAFRO Cc1cccc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)n1 ZINC000058482702 562698055 /nfs/dbraw/zinc/69/80/55/562698055.db2.gz QTQXLLIQPPYVHT-VWLOTQADSA-N 1 0 554.698 6.637 1 0 KKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058511944 562698437 /nfs/dbraw/zinc/69/84/37/562698437.db2.gz XGRCTAUNWOLIAN-UHFFFAOYSA-N 1 0 512.025 5.733 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H](C[C@@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000058537982 562698752 /nfs/dbraw/zinc/69/87/52/562698752.db2.gz VEPNEHUJRMVZLF-VAVYLYDRSA-N 1 0 501.715 5.668 1 0 KKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Br)c3)CC2)cc1-c1ccccc1 ZINC000058538241 562698805 /nfs/dbraw/zinc/69/88/05/562698805.db2.gz WEARRJZMFZNKLA-UHFFFAOYSA-N 1 0 523.519 5.578 1 0 KKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1-c1ccccc1 ZINC000058541388 562699020 /nfs/dbraw/zinc/69/90/20/562699020.db2.gz GZPRQCINUNVVEC-UHFFFAOYSA-N 1 0 512.620 5.834 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000058546949 562699054 /nfs/dbraw/zinc/69/90/54/562699054.db2.gz RPJZHDKOKSGFON-WOIMOHSLSA-N 1 0 525.524 5.894 1 0 KKAFRO CC[NH+](CC)CCCc1c(C=C2c3cc(NS(=O)(=O)c4ccccc4)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058568951 562699562 /nfs/dbraw/zinc/69/95/62/562699562.db2.gz BZDPNSHFCIPOPU-CLCOLTQESA-N 1 0 546.693 5.102 1 0 KKAFRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058580994 562699722 /nfs/dbraw/zinc/69/97/22/562699722.db2.gz GIVPKVSPHSKBPI-VWLOTQADSA-N 1 0 571.512 6.320 1 0 KKAFRO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1N(c1ccccc1)S(C)(=O)=O ZINC000058581811 562699866 /nfs/dbraw/zinc/69/98/66/562699866.db2.gz HYNKIPABGATMMG-IGYGKHONSA-N 1 0 625.713 5.603 1 0 KKAFRO O=C(Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1)C1CC1 ZINC000058583376 562700085 /nfs/dbraw/zinc/70/00/85/562700085.db2.gz OZHWWJKJVFUFNI-UHFFFAOYSA-N 1 0 511.645 6.195 1 0 KKAFRO CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058583239 562700092 /nfs/dbraw/zinc/70/00/92/562700092.db2.gz FPELKAOVKORIJY-RUZDIDTESA-N 1 0 647.043 6.700 1 0 KKAFRO C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000058584350 562700274 /nfs/dbraw/zinc/70/02/74/562700274.db2.gz VALXHTYNSBIIKC-UXGWCSDESA-N 1 0 518.745 7.761 1 0 KKAFRO C[C@H](NCCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058590579 562700286 /nfs/dbraw/zinc/70/02/86/562700286.db2.gz YQDOWZUXOISZGO-NRFANRHFSA-N 1 0 507.590 5.337 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593448 562700701 /nfs/dbraw/zinc/70/07/01/562700701.db2.gz UOYHHUKUSBEJQM-FKBYEOEOSA-N 1 0 537.919 5.933 1 0 KKAFRO CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)c1 ZINC000058602700 562700856 /nfs/dbraw/zinc/70/08/56/562700856.db2.gz VKICSHONDTWPQK-MPQUPPDSSA-N 1 0 687.784 6.962 1 0 KKAFRO COC[C@@H]1C[NH2+]C[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(COC(=O)c2ccccc2Cl)cc1 ZINC000058661272 562701413 /nfs/dbraw/zinc/70/14/13/562701413.db2.gz MDNCEOVGVRNOIK-NAYUSWPISA-N 1 0 530.064 6.385 1 0 in-vitro KKAFRO COCCCOc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031014 562701581 /nfs/dbraw/zinc/70/15/81/562701581.db2.gz YRILRJCADJPSPO-MUUNZHRXSA-N 1 0 608.606 8.435 1 0 KKAFRO COCCOc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031007 562701586 /nfs/dbraw/zinc/70/15/86/562701586.db2.gz PNMPIKWWBRRSSD-MHZLTWQESA-N 1 0 594.579 8.045 1 0 KKAFRO COC(=O)CCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031245 562701621 /nfs/dbraw/zinc/70/16/21/562701621.db2.gz QQFXOQFROKBYDL-MUUNZHRXSA-N 1 0 606.590 8.126 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033260 562701637 /nfs/dbraw/zinc/70/16/37/562701637.db2.gz NBYDAJFVSYGLLS-DEOSSOPVSA-N 1 0 565.755 6.718 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(OCC4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259519 562701929 /nfs/dbraw/zinc/70/19/29/562701929.db2.gz FCJBLTLQBCHRIE-QGZVFWFLSA-N 1 0 525.074 5.700 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cc(NC(C)=O)ccc2S(=O)(=O)CC)ccc1OC(C)C ZINC000059377600 562702019 /nfs/dbraw/zinc/70/20/19/562702019.db2.gz UEBHRGVBTPKUQT-WJOKGBTCSA-N 1 0 633.771 5.225 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cc(NC(C)=O)ccc2S(=O)(=O)CC)ccc1OC(C)C ZINC000059377595 562702031 /nfs/dbraw/zinc/70/20/31/562702031.db2.gz UEBHRGVBTPKUQT-HKBQPEDESA-N 1 0 633.771 5.225 1 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955101 562702484 /nfs/dbraw/zinc/70/24/84/562702484.db2.gz WRZDNNNWRDBIAE-ORKTZOGASA-N 1 0 509.615 8.394 3 0 KKAFRO CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CC[NH+](C)C)CC1CC1 ZINC000061904320 562702945 /nfs/dbraw/zinc/70/29/45/562702945.db2.gz XXFZLBMEIBXEJA-UHFFFAOYSA-N 1 0 511.670 5.603 3 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905246 562703011 /nfs/dbraw/zinc/70/30/11/562703011.db2.gz SHDOWDKRLICSAH-VWLOTQADSA-N 1 0 518.872 6.038 3 0 KKAFRO O=C(N[C@@H](c1cccs1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906325 562703040 /nfs/dbraw/zinc/70/30/40/562703040.db2.gz ZSEWTBNATVPXNT-AREMUKBSSA-N 1 0 509.597 6.433 3 0 KKAFRO COc1cccc(-c2sc3cc(OC)c(OC)cc3c2-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000061944867 562703813 /nfs/dbraw/zinc/70/38/13/562703813.db2.gz UZQSVAXISNJXMA-UHFFFAOYSA-N 1 0 503.664 7.126 3 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)C3CCC(NC(C)=O)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000062179078 562704351 /nfs/dbraw/zinc/70/43/51/562704351.db2.gz RURMBSCVCKOVLA-CWLDZYDQSA-N 1 0 504.715 6.332 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc21 ZINC000063539826 562704489 /nfs/dbraw/zinc/70/44/89/562704489.db2.gz RTYJMUXLFRYRBU-UHFFFAOYSA-N 1 0 534.661 5.790 1 0 KKAFRO COC(=O)c1cccc([C@@]23C[C@@H]2C[C@@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(F)c2)CC3)c1 ZINC000064415796 562705005 /nfs/dbraw/zinc/70/50/05/562705005.db2.gz STURXAIPXAIRHE-JCAOREMYSA-N 1 0 527.656 6.215 1 0 KKAFRO CCNC(=O)[C@@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)[NH2+]C1 ZINC000064512962 562706336 /nfs/dbraw/zinc/70/63/36/562706336.db2.gz XEGOLLHFEQVDHJ-SEPYTNNBSA-N 1 0 502.499 5.833 1 0 KKAFRO COCCC[NH+]1CCC(NC(=O)c2cc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3cccc4ccccc43)ccc2C)CC1 ZINC000064539458 562707576 /nfs/dbraw/zinc/70/75/76/562707576.db2.gz GYXQXRWIELQCCU-UHFFFAOYSA-N 1 0 596.776 6.506 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000064539997 562707642 /nfs/dbraw/zinc/70/76/42/562707642.db2.gz HIVHEOCGLZASLB-RDPSFJRHSA-N 1 0 521.678 6.110 1 0 KKAFRO CC(=O)NCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064540154 562707651 /nfs/dbraw/zinc/70/76/51/562707651.db2.gz XMURKBGOEUGSJM-MUUNZHRXSA-N 1 0 591.579 7.656 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000064540553 562707750 /nfs/dbraw/zinc/70/77/50/562707750.db2.gz SCIXAOGWSHBJKV-UHFFFAOYSA-N 1 0 552.723 6.491 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(c5ccccc5)c5ccccc5)sc43)cc2)CC1 ZINC000064540998 562707825 /nfs/dbraw/zinc/70/78/25/562707825.db2.gz VQIGSXZPOJLZGU-UHFFFAOYSA-N 1 0 550.688 5.148 1 0 KKAFRO CC(C)([NH3+])CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064548984 562707980 /nfs/dbraw/zinc/70/79/80/562707980.db2.gz NFZXJAAYRGGEQS-SVBPBHIXSA-N 1 0 578.544 6.055 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000064559022 562708299 /nfs/dbraw/zinc/70/82/99/562708299.db2.gz KEKTVADTRWDTIX-PPYDQSFFSA-N 1 0 534.587 5.544 1 0 KKAFRO CC(C)(C(=O)Nc1ccc(N2CCC3(CC[N@H+](CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000064560440 562708519 /nfs/dbraw/zinc/70/85/19/562708519.db2.gz ACGCDAQKSJBTTB-UHFFFAOYSA-N 1 0 534.066 6.977 1 0 KKAFRO O=C(/C=C\c1ccc(-c2ccccc2)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000064574066 562708741 /nfs/dbraw/zinc/70/87/41/562708741.db2.gz MOIKFOFBLRHJTR-QINSGFPZSA-N 1 0 517.717 7.356 1 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000064645857 562708965 /nfs/dbraw/zinc/70/89/65/562708965.db2.gz ZTMNNQKTIOUXNE-ZCGWPHLNSA-N 1 0 577.612 9.413 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066066154 562709291 /nfs/dbraw/zinc/70/92/91/562709291.db2.gz ZSOHBIYTNTYVNQ-JWHBBQGKSA-N 1 0 534.695 6.628 1 0 KKAFRO COc1cccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c1 ZINC000066066109 562709304 /nfs/dbraw/zinc/70/93/04/562709304.db2.gz FPDYNLCFLHJVOJ-CMVGPNDKSA-N 1 0 594.583 6.046 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073981 562709591 /nfs/dbraw/zinc/70/95/91/562709591.db2.gz SCDVTYVEEOZJQT-JWHBBQGKSA-N 1 0 528.722 5.665 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 ZINC000066074110 562709694 /nfs/dbraw/zinc/70/96/94/562709694.db2.gz ZCNZYJLLFKFZPD-YJNPBZNESA-N 1 0 624.609 6.054 1 0 KKAFRO COc1c(C(=O)NC2(C(=O)N[C@H](CCCN3CC[NH+](CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc21 ZINC000066074210 562709723 /nfs/dbraw/zinc/70/97/23/562709723.db2.gz OTLFJNPFYBOAPG-MGBGTMOVSA-N 1 0 640.869 5.443 1 0 KKAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@@H+]2CCC[C@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075878 562710043 /nfs/dbraw/zinc/71/00/43/562710043.db2.gz SZNLBOGTJLMSEB-LJECKYQPSA-N 1 0 586.688 5.508 1 0 KKAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@@H+]2CCC[C@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075875 562710052 /nfs/dbraw/zinc/71/00/52/562710052.db2.gz XPNVWCRSEYTHES-JEYYSDHNSA-N 1 0 602.687 5.171 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066078467 562710424 /nfs/dbraw/zinc/71/04/24/562710424.db2.gz DHQDDKPFKFTCEM-HVIPQOSHSA-N 1 0 582.547 6.176 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000066098337 562710918 /nfs/dbraw/zinc/71/09/18/562710918.db2.gz PIMLSCWBKRKXLA-FOPBOCKXSA-N 1 0 624.609 6.054 1 0 KKAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(CC[NH+](C(C)C)C(C)C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066099644 562711153 /nfs/dbraw/zinc/71/11/53/562711153.db2.gz SWBQHMCOEDNYNY-NEVPTIFISA-N 1 0 602.728 5.887 1 0 KKAFRO O=c1c(-c2ccc(Cl)cc2)c2n(c(=O)n1CCCC[NH+]1CCC(c3c[nH]c4ccccc43)CC1)CCCC2 ZINC000066101271 562711328 /nfs/dbraw/zinc/71/13/28/562711328.db2.gz YEUJJVSBUDXJBP-UHFFFAOYSA-N 1 0 531.100 5.808 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103540 562711587 /nfs/dbraw/zinc/71/15/87/562711587.db2.gz PYXSQEBHAOBWDL-YMZMCOLGSA-N 1 0 566.624 6.026 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(C)C)cc3)cs2)cc1 ZINC000066104582 562711764 /nfs/dbraw/zinc/71/17/64/562711764.db2.gz RPWCPXPLBMWKRK-UHFFFAOYSA-N 1 0 541.783 6.621 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000066112935 562712158 /nfs/dbraw/zinc/71/21/58/562712158.db2.gz JFKRRSJQKDTYKH-GDLZYMKVSA-N 1 0 550.615 5.536 1 0 KKAFRO CC[C@]1(c2ccc(COc3cccc(CC[NH+]4CCCC4)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113839 562712232 /nfs/dbraw/zinc/71/22/32/562712232.db2.gz YBJPKIBCADIDIQ-MGBGTMOVSA-N 1 0 506.646 6.575 1 0 KKAFRO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[NH+](Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000066128623 562712742 /nfs/dbraw/zinc/71/27/42/562712742.db2.gz LDOHZDOHEXMHJA-UHFFFAOYSA-N 1 0 541.717 5.160 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000066165793 562713972 /nfs/dbraw/zinc/71/39/72/562713972.db2.gz CTGVOLFEVRPTNS-UHFFFAOYSA-N 1 0 513.729 5.842 1 0 KKAFRO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066167288 562714303 /nfs/dbraw/zinc/71/43/03/562714303.db2.gz SOIUUQHALQGWPY-UHFFFAOYSA-N 1 0 572.569 5.130 1 0 KKAFRO O=C(NCC[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000066167338 562714366 /nfs/dbraw/zinc/71/43/66/562714366.db2.gz GRGPYRFLZBQNID-UHFFFAOYSA-N 1 0 592.559 5.360 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCC[NH+](C)C)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245721 562716069 /nfs/dbraw/zinc/71/60/69/562716069.db2.gz MFHUELQQRXQNEY-UHFFFAOYSA-N 1 0 532.593 5.069 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CCC[N@@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000068245928 562716129 /nfs/dbraw/zinc/71/61/29/562716129.db2.gz FTUGGBSHBYYNOW-UHFFFAOYSA-N 1 0 620.680 5.326 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCNC4=O)CC3)C(C)(C)C2)cc1 ZINC000070631582 562716452 /nfs/dbraw/zinc/71/64/52/562716452.db2.gz PHQRACHZVVVZIB-VQFWCGETSA-N 1 0 546.756 5.474 1 0 KKAFRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631592 562716458 /nfs/dbraw/zinc/71/64/58/562716458.db2.gz PUZGAVBRJNMHLD-XUEBXJBISA-N 1 0 529.769 6.023 1 0 KKAFRO Cc1nc2cc(F)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294460 562716907 /nfs/dbraw/zinc/71/69/07/562716907.db2.gz SGXJYRHEFMZKBV-BETPUDKTSA-N 1 0 550.722 6.916 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccncc2)c2ccc(Br)cc2)CC1 ZINC000071296902 562717678 /nfs/dbraw/zinc/71/76/78/562717678.db2.gz AOUQIZRTIMIHNA-DWXRJYCRSA-N 1 0 592.365 6.587 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@@H]4CCC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297084 562717731 /nfs/dbraw/zinc/71/77/31/562717731.db2.gz DKVWTGMSGYYQCA-XMMPIXPASA-N 1 0 518.610 5.261 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071315985 562717784 /nfs/dbraw/zinc/71/77/84/562717784.db2.gz QPAOZNRVQHQTBH-CLYVBNDRSA-N 1 0 614.923 8.101 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318512 562718519 /nfs/dbraw/zinc/71/85/19/562718519.db2.gz SEGQUBJRIWCWBZ-WGDIFIGCSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccnc2)c2ccc(Br)cc2)CC1 ZINC000071319299 562718792 /nfs/dbraw/zinc/71/87/92/562718792.db2.gz JEKXFKCNNKNGAU-DWXRJYCRSA-N 1 0 592.365 6.587 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329641 562718982 /nfs/dbraw/zinc/71/89/82/562718982.db2.gz YZUWTIDKWIGKBL-SSOJOUAXSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](O)c2ccc(Br)cc2)CC1 ZINC000071330885 562719231 /nfs/dbraw/zinc/71/92/31/562719231.db2.gz SBVFNLJIIJHIAV-LHSJRXKWSA-N 1 0 515.279 5.105 1 0 KKAFRO [NH3+]CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071332271 562719371 /nfs/dbraw/zinc/71/93/71/562719371.db2.gz NXWHUSWLVBSIJF-AOYPEHQESA-N 1 0 593.323 6.106 1 0 KKAFRO Cc1ccccc1/C=C1\C[N@@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1C ZINC000071334647 562719643 /nfs/dbraw/zinc/71/96/43/562719643.db2.gz ALYJDRFVACLTCQ-JCXLJCJISA-N 1 0 537.063 6.731 1 0 KKAFRO S=C1N=C2C(=Cc3cccc4ccccc34)C[N@@H+](Cc3ccccc3)CC2[C@H](c2cccc3ccccc32)N1 ZINC000071340718 562719830 /nfs/dbraw/zinc/71/98/30/562719830.db2.gz VTNQOZDFITULBB-GQCCWYFBSA-N 1 0 523.705 7.777 1 0 KKAFRO COc1ccccc1/C=C1\C[N@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1OC ZINC000071341230 562719943 /nfs/dbraw/zinc/71/99/43/562719943.db2.gz VHYNUZUMDXUILC-JXJSOSRJSA-N 1 0 569.061 6.132 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(O)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072102926 562720299 /nfs/dbraw/zinc/72/02/99/562720299.db2.gz UHOJKTDOKODUSJ-IQLGONJTSA-N 1 0 541.692 5.041 3 0 KKAFRO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103477 562720322 /nfs/dbraw/zinc/72/03/22/562720322.db2.gz OLUKHOPUUWMDEI-PFBJBMPXSA-N 1 0 509.050 5.218 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103197 562720327 /nfs/dbraw/zinc/72/03/27/562720327.db2.gz GTPMMMDYPWSLBL-ZYADHFCISA-N 1 0 676.053 6.857 3 0 KKAFRO O=C(Nc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 ZINC000072106564 562721028 /nfs/dbraw/zinc/72/10/28/562721028.db2.gz GXDRIFNNDQHONW-HKBQPEDESA-N 1 0 555.760 5.562 1 0 KKAFRO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccccc1Cl ZINC000072106802 562721113 /nfs/dbraw/zinc/72/11/13/562721113.db2.gz HGGJEDTUKGFYIN-UHFFFAOYSA-N 1 0 508.110 5.346 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6cc(C(F)(F)F)cc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072111471 562721988 /nfs/dbraw/zinc/72/19/88/562721988.db2.gz LIGFFEGIWZXUAP-FPDLZRPASA-N 1 0 614.715 7.185 1 0 KKAFRO C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112522 562722118 /nfs/dbraw/zinc/72/21/18/562722118.db2.gz JZPFDUSVFDKDJU-NYTNZEMMSA-N 1 0 642.769 7.962 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113029 562722235 /nfs/dbraw/zinc/72/22/35/562722235.db2.gz UTNLTQYGLBSRPE-IIMVBQHGSA-N 1 0 520.718 5.258 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccc(Cl)cc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072116371 562723101 /nfs/dbraw/zinc/72/31/01/562723101.db2.gz NGLKSVAOSNSXCK-HSZRJFAPSA-N 1 0 509.075 5.410 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cccc(C(F)(F)F)c1 ZINC000072117066 562723324 /nfs/dbraw/zinc/72/33/24/562723324.db2.gz SENDUEUOHLBKIY-JOCHJYFZSA-N 1 0 528.600 5.467 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000072118792 562723640 /nfs/dbraw/zinc/72/36/40/562723640.db2.gz XFTUXQZTAPVODE-QFIPXVFZSA-N 1 0 539.499 5.211 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(c(O)cc4Cl)O[C@@H]2[C@]53CC[N@@H+]1CC1CC1 ZINC000072122632 562724576 /nfs/dbraw/zinc/72/45/76/562724576.db2.gz ARMVYVANYSKLSH-LDFHUFRKSA-N 1 0 502.095 5.067 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123631 562724768 /nfs/dbraw/zinc/72/47/68/562724768.db2.gz BEGFCGPNILKSKQ-GOXGLGGOSA-N 1 0 633.447 7.344 1 0 KKAFRO O=S(=O)(Nc1ccc(C[C@H]2CC[C@@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126802 562725427 /nfs/dbraw/zinc/72/54/27/562725427.db2.gz CVNUDPVQPWCUGZ-DQQHMPIDSA-N 1 0 649.760 7.693 1 0 KKAFRO CCc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000072127847 562725960 /nfs/dbraw/zinc/72/59/60/562725960.db2.gz OZGMWZQPDXMETP-WJOKGBTCSA-N 1 0 520.677 5.741 1 0 KKAFRO CCCCNC(=O)[C@@H](C1CCCCC1)N(CC[NH+](C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127742 562725924 /nfs/dbraw/zinc/72/59/24/562725924.db2.gz HUJIOOUZBZWSBP-NCRNUEESSA-N 1 0 749.997 7.473 3 0 KKAFRO 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 ZINC000072127997 562725976 /nfs/dbraw/zinc/72/59/76/562725976.db2.gz CGLNLVFPHXEQAP-RWYJCYHVSA-N 1 0 653.529 7.008 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072128642 562726094 /nfs/dbraw/zinc/72/60/94/562726094.db2.gz GQWDZONLPIYMSR-WPTHFGHYSA-N 1 0 672.826 7.557 3 0 KKAFRO CCCCNC(=O)[C@H](C)N(CC[NH+](C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128638 562726115 /nfs/dbraw/zinc/72/61/15/562726115.db2.gz LNLNGNGPLSBRDR-VCTRWQRLSA-N 1 0 668.279 5.679 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128741 562726300 /nfs/dbraw/zinc/72/63/00/562726300.db2.gz XIGFKHPASRIFAO-KWRMZWAXSA-N 1 0 664.042 6.626 3 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)Cc6ccc(C(F)(F)F)cc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128781 562726336 /nfs/dbraw/zinc/72/63/36/562726336.db2.gz AGHZIEXSJDHZPW-NGZBDLKASA-N 1 0 644.888 8.265 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(=O)(=O)C(C)C)c(F)cc2F)CC1 ZINC000072129838 562726493 /nfs/dbraw/zinc/72/64/93/562726493.db2.gz AYZQTNVKDVUKMD-BWMKXQIXSA-N 1 0 707.863 7.344 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129942 562726606 /nfs/dbraw/zinc/72/66/06/562726606.db2.gz DMKRCVCDILPMAA-ULJKERAFSA-N 1 0 664.247 6.217 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129943 562726633 /nfs/dbraw/zinc/72/66/33/562726633.db2.gz LSEYGFKZVFFFCR-ULJKERAFSA-N 1 0 714.254 7.097 1 0 KKAFRO C[C@@H](C[NH+](C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072132413 562726868 /nfs/dbraw/zinc/72/68/68/562726868.db2.gz BKTXRPJVVXUPPO-PNCWTNKOSA-N 1 0 711.901 6.155 3 0 KKAFRO COC(=O)c1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000072132824 562726913 /nfs/dbraw/zinc/72/69/13/562726913.db2.gz BBPIAZGYCZVTCO-XRHLQHRESA-N 1 0 639.502 6.630 1 0 KKAFRO COC(=O)c1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000072132815 562726935 /nfs/dbraw/zinc/72/69/35/562726935.db2.gz MMFIYNUWNAVWBL-WHLCRQNOSA-N 1 0 638.514 7.235 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072132835 562726950 /nfs/dbraw/zinc/72/69/50/562726950.db2.gz DSJGKJAUOYZTRF-QLXKLKPCSA-N 1 0 649.463 7.862 1 0 KKAFRO O=C(N[C@@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137566 562728326 /nfs/dbraw/zinc/72/83/26/562728326.db2.gz KJMXSWBTEKEAHU-AREMUKBSSA-N 1 0 528.436 5.114 3 0 KKAFRO COc1cc(OC)nc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccc(F)cc2)n1 ZINC000072137839 562728467 /nfs/dbraw/zinc/72/84/67/562728467.db2.gz YSZYSSFEWCOCJD-PMERELPUSA-N 1 0 556.638 5.543 3 0 KKAFRO CC[N@H+]1Cc2c(cc3nc4n(-c5ccc(Cl)cc5)nc(C(=O)Nc5ccccc5)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000072138014 562728591 /nfs/dbraw/zinc/72/85/91/562728591.db2.gz PCRGLWKHIPYWKY-JBASAIQMSA-N 1 0 691.235 8.599 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072139472 562728938 /nfs/dbraw/zinc/72/89/38/562728938.db2.gz GRPFDAQJGJEHNF-WNQXLSPZSA-N 1 0 619.989 6.227 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072139655 562729002 /nfs/dbraw/zinc/72/90/02/562729002.db2.gz QKCCYZTVXCUTKJ-WNQXLSPZSA-N 1 0 619.989 6.227 3 0 KKAFRO C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[NH+]1CCCC1 ZINC000072139957 562729132 /nfs/dbraw/zinc/72/91/32/562729132.db2.gz DIVUWJFWEQMVAY-CHJDUVSTSA-N 1 0 503.090 5.812 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072140894 562729209 /nfs/dbraw/zinc/72/92/09/562729209.db2.gz PBMALKHQNFBMQF-QNBZCSHPSA-N 1 0 651.767 5.904 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000072141035 562729258 /nfs/dbraw/zinc/72/92/58/562729258.db2.gz LELBVVXWCNYFBB-OSESMHQUSA-N 1 0 645.797 5.595 3 0 KKAFRO CCNC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CC[NH3+])cc2)n1 ZINC000072142276 562729456 /nfs/dbraw/zinc/72/94/56/562729456.db2.gz RMNIHMHXDGNMSM-UHFFFAOYSA-N 1 0 521.543 5.262 1 0 KKAFRO CC[C@@H](c1nc2sc(Br)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072142281 562729506 /nfs/dbraw/zinc/72/95/06/562729506.db2.gz FVESJFWSPQDOHX-QFIPXVFZSA-N 1 0 553.526 5.520 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146507 562729696 /nfs/dbraw/zinc/72/96/96/562729696.db2.gz DPZGZNAHWBAHEG-QHHIVDTJSA-N 1 0 635.648 9.200 3 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000072147603 562729774 /nfs/dbraw/zinc/72/97/74/562729774.db2.gz IZSGQPAFIIQCJJ-NLDZOOGBSA-N 1 0 672.097 7.081 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147637 562729784 /nfs/dbraw/zinc/72/97/84/562729784.db2.gz RDCUZWVELSAOBC-IHLOFXLRSA-N 1 0 660.082 7.876 1 0 in-vitro KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000072151428 562730112 /nfs/dbraw/zinc/73/01/12/562730112.db2.gz MWIOXPKQVFBCTI-HEVIKAOCSA-N 1 0 648.848 6.621 1 0 KKAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072160872 562730194 /nfs/dbraw/zinc/73/01/94/562730194.db2.gz USHIXTLHWVDUCI-KQYRIMJJSA-N 1 0 663.863 5.747 3 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171080 562730467 /nfs/dbraw/zinc/73/04/67/562730467.db2.gz JGUWRDGVCUGGGI-DEOSSOPVSA-N 1 0 556.615 5.296 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172003 562730549 /nfs/dbraw/zinc/73/05/49/562730549.db2.gz JSMYFJXDBDPWRP-XMMPIXPASA-N 1 0 528.605 5.511 1 0 KKAFRO C[C@@H](NC(=O)c1cc(-c2cn([C@H](C[NH2+]Cc3cccc(Br)c3)Cc3ccccc3)nn2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000072176865 562731697 /nfs/dbraw/zinc/73/16/97/562731697.db2.gz ZJUGXFYQRWKLPE-HPMVVLTCSA-N 1 0 701.691 6.168 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180647 562732545 /nfs/dbraw/zinc/73/25/45/562732545.db2.gz DWRSFLPJFKITBF-INIZCTEOSA-N 1 0 517.432 5.742 1 0 KKAFRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181476 562732752 /nfs/dbraw/zinc/73/27/52/562732752.db2.gz AWUSEWFIOJHHGJ-HHHXNRCGSA-N 1 0 510.642 5.401 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl ZINC000072183499 562732946 /nfs/dbraw/zinc/73/29/46/562732946.db2.gz WONIGLPPCGGIDN-PGRDOPGGSA-N 1 0 541.042 6.103 1 0 KKAFRO C[C@H](O)C(=O)N(CC[C@H]([NH3+])CF)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000072317541 562733204 /nfs/dbraw/zinc/73/32/04/562733204.db2.gz NRLJADWXSYTZGP-SZUKKWSHSA-N 1 0 533.660 5.663 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1 ZINC000073140366 562733616 /nfs/dbraw/zinc/73/36/16/562733616.db2.gz JPVGYGPMNFNVTR-XJFCNFDWSA-N 1 0 533.594 5.095 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073167406 562734603 /nfs/dbraw/zinc/73/46/03/562734603.db2.gz UUGJQIZGOJTKRM-HKBQPEDESA-N 1 0 552.690 5.788 1 0 KKAFRO COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000073167810 562734635 /nfs/dbraw/zinc/73/46/35/562734635.db2.gz HNGUGPWVISDANL-UHFFFAOYSA-N 1 0 506.626 5.575 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199719 562736018 /nfs/dbraw/zinc/73/60/18/562736018.db2.gz XWWBOYDUGHVMQG-BJKOFHAPSA-N 1 0 526.633 5.201 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4ccc(F)cc4c3=O)CC2)c1 ZINC000073218956 562736178 /nfs/dbraw/zinc/73/61/78/562736178.db2.gz JDZUOOLTFGPZIL-UHFFFAOYSA-N 1 0 533.047 6.084 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(OC)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073221904 562736349 /nfs/dbraw/zinc/73/63/49/562736349.db2.gz GWANAUJTYJQSLE-MPQQFYCHSA-N 1 0 534.726 5.112 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)F ZINC000073223577 562736499 /nfs/dbraw/zinc/73/64/99/562736499.db2.gz CWSAJTLFSLVVTF-YRUKQIKQSA-N 1 0 514.016 5.455 1 0 KKAFRO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1ccc(C[NH2+]C(C)C)cc1 ZINC000073240403 562736862 /nfs/dbraw/zinc/73/68/62/562736862.db2.gz YJARNKOBQXKAJC-ACCUITESSA-N 1 0 517.048 7.569 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000073279987 562737388 /nfs/dbraw/zinc/73/73/88/562737388.db2.gz PNYWSRFQQRUDKN-PSXMRANNSA-N 1 0 615.884 6.032 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)cc1 ZINC000073292524 562737488 /nfs/dbraw/zinc/73/74/88/562737488.db2.gz YNPVBCBDMGLBTR-XMMPIXPASA-N 1 0 508.367 7.503 1 0 KKAFRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)N[C@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000073294371 562737596 /nfs/dbraw/zinc/73/75/96/562737596.db2.gz QPOUCHIQTFZFLC-BNFGYFSNSA-N 1 0 548.841 7.068 1 0 KKAFRO CC[N@H+]1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311062 562737841 /nfs/dbraw/zinc/73/78/41/562737841.db2.gz GYGZRRGYBJLWRY-AXQPBCOJSA-N 1 0 592.979 6.595 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2Cl)ccc1C[NH+]1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082138002 562739108 /nfs/dbraw/zinc/73/91/08/562739108.db2.gz WMHUXCUGXVXAJP-UHFFFAOYSA-N 1 0 682.178 5.543 1 0 KKAFRO CCCOc1cccc2c1C[NH2+][C@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@H](C)CC)C1=O)C2 ZINC000082139817 562739214 /nfs/dbraw/zinc/73/92/14/562739214.db2.gz UNHYCLXMUBLSOA-KPWKDLPLSA-N 1 0 718.886 5.011 1 0 KKAFRO CCOC(=O)Nc1nc(NCCCC[NH+](CC)CC)c2c(n1)S[C@@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153690 562740223 /nfs/dbraw/zinc/74/02/23/562740223.db2.gz YAJWMGFMGNZQPU-VWLOTQADSA-N 1 0 532.714 6.547 1 0 KKAFRO C[NH+](C)CCCc1ccc(C(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 ZINC000082155828 562740551 /nfs/dbraw/zinc/74/05/51/562740551.db2.gz IHOWKSDIGLFLPH-UHFFFAOYSA-N 1 0 505.997 6.349 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082156819 562740758 /nfs/dbraw/zinc/74/07/58/562740758.db2.gz XRBCSAZPNWJRJK-SSEXGKCCSA-N 1 0 641.134 5.517 1 0 KKAFRO CC(C)c1c(OC[C@@H](O)C[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082156655 562740775 /nfs/dbraw/zinc/74/07/75/562740775.db2.gz ZFYXFKAYIBXASB-NGUGRHTISA-N 1 0 590.252 7.604 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)c(F)c4)c4ccccc4c3=O)CC2)c1 ZINC000082157816 562740989 /nfs/dbraw/zinc/74/09/89/562740989.db2.gz BTIBOXRUOJMCMC-UHFFFAOYSA-N 1 0 533.047 6.084 1 0 KKAFRO O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(-c3cccc(C[NH+]4Cc5ccccc5C4)c3)cc1)ccc2[O-] ZINC000082158858 562741129 /nfs/dbraw/zinc/74/11/29/562741129.db2.gz NGFREUBJOZESFK-UHFFFAOYSA-N 1 0 521.686 5.853 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165086 562741328 /nfs/dbraw/zinc/74/13/28/562741328.db2.gz QXSAFGQAHODVKD-QIKUIUABSA-N 1 0 726.307 5.764 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165069 562741377 /nfs/dbraw/zinc/74/13/77/562741377.db2.gz YPTCVVCGFGDLDX-QIKUIUABSA-N 1 0 709.852 5.249 1 0 KKAFRO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595519 562743624 /nfs/dbraw/zinc/74/36/24/562743624.db2.gz RXLHNEPWLCJVNN-HMQVCXRFSA-N 1 0 602.795 6.267 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@@H]([NH3+])C(C)C)o2)c2ccc(C(F)(F)F)nc12 ZINC000084603385 562744118 /nfs/dbraw/zinc/74/41/18/562744118.db2.gz MQFZRKHRDFXZHY-FQEVSTJZSA-N 1 0 534.485 5.781 1 0 KKAFRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NCC[NH3+])CC[C@]23C)C1(C)C ZINC000084614727 562744384 /nfs/dbraw/zinc/74/43/84/562744384.db2.gz HGLDZVONEAYGCZ-PNXZZNQOSA-N 1 0 540.833 6.651 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084614841 562744405 /nfs/dbraw/zinc/74/44/05/562744405.db2.gz BGCCYGFALRFDOR-IZZNHLLZSA-N 1 0 555.113 6.641 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(-c2nc4ccccc4o2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084617789 562744947 /nfs/dbraw/zinc/74/49/47/562744947.db2.gz RXYYOMFBFZYPJM-UHFFFAOYSA-N 1 0 573.625 6.744 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccccc1CCCF)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000084619392 562745274 /nfs/dbraw/zinc/74/52/74/562745274.db2.gz RPXJYPJCYFILIZ-UHFFFAOYSA-N 1 0 517.666 7.272 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084632874 562745621 /nfs/dbraw/zinc/74/56/21/562745621.db2.gz RDTFFLFEGIKFDL-UHFFFAOYSA-N 1 0 525.693 7.183 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccccc2)n1 ZINC000084633508 562745761 /nfs/dbraw/zinc/74/57/61/562745761.db2.gz HZQAUGPSUMNSMF-LOSJGSFVSA-N 1 0 507.629 5.074 1 0 KKAFRO O=C(C[C@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084634868 562746012 /nfs/dbraw/zinc/74/60/12/562746012.db2.gz JBWUFPJPOHNINP-PMERELPUSA-N 1 0 619.574 6.009 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000084652630 562746601 /nfs/dbraw/zinc/74/66/01/562746601.db2.gz JNTWFZMEHYELDP-UHFFFAOYSA-N 1 0 590.650 5.987 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccncc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084652611 562746620 /nfs/dbraw/zinc/74/66/20/562746620.db2.gz FSKMGQHZDVVZFD-YHZWMNSLSA-N 1 0 687.820 5.498 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1Cl ZINC000084653497 562746871 /nfs/dbraw/zinc/74/68/71/562746871.db2.gz VXQBATYBJPWXSC-JGCGQSQUSA-N 1 0 597.506 7.017 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1Cl ZINC000084653498 562746891 /nfs/dbraw/zinc/74/68/91/562746891.db2.gz VXQBATYBJPWXSC-YTTGMZPUSA-N 1 0 597.506 7.017 1 0 KKAFRO C[C@]1([NH3+])C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000084654834 562747379 /nfs/dbraw/zinc/74/73/79/562747379.db2.gz CJMLZWQLLIRLRX-PBDKAQRYSA-N 1 0 516.995 5.560 1 0 KKAFRO COc1c(C(C)(C)C)cc(C(=O)N2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668474 562747611 /nfs/dbraw/zinc/74/76/11/562747611.db2.gz DQYMRJZVWUVEHQ-UHFFFAOYSA-N 1 0 604.826 8.719 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084669976 562748166 /nfs/dbraw/zinc/74/81/66/562748166.db2.gz GMOFRPHSPZPTTF-TYPXCFOJSA-N 1 0 531.022 5.869 1 0 KKAFRO C[C@@H](C[NH3+])N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084670918 562748434 /nfs/dbraw/zinc/74/84/34/562748434.db2.gz MXEMDAWSOIQKOI-FYZNHFMZSA-N 1 0 683.847 5.552 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccc(-c5cncnc5)cc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084672507 562748796 /nfs/dbraw/zinc/74/87/96/562748796.db2.gz GIDNAZYCGIBNKS-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 ZINC000084689057 562749308 /nfs/dbraw/zinc/74/93/08/562749308.db2.gz AYQQJSQHXLZXMR-HFASVGIHSA-N 1 0 640.772 6.183 1 0 KKAFRO COc1cccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c32)c1 ZINC000084731763 562751756 /nfs/dbraw/zinc/75/17/56/562751756.db2.gz XMSTXAFMIGLWTF-VWLOTQADSA-N 1 0 513.642 5.366 1 0 KKAFRO C[NH+]1CCC([C@H](CCCCC(=O)N2CC[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)C2)c2ccccc2)CC1 ZINC000084758468 562752624 /nfs/dbraw/zinc/75/26/24/562752624.db2.gz PEVJKPBZHLDFLW-SKCUWOTOSA-N 1 0 544.567 6.258 1 0 KKAFRO CCCC[C@@H](C[NH+]1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084759392 562752903 /nfs/dbraw/zinc/75/29/03/562752903.db2.gz MNYSWZUJUHSRKV-QFIPXVFZSA-N 1 0 507.458 5.969 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2 ZINC000088260760 562753509 /nfs/dbraw/zinc/75/35/09/562753509.db2.gz GDLSQNRDPMUWOH-SHQCIBLASA-N 1 0 537.553 5.439 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095535664 562753739 /nfs/dbraw/zinc/75/37/39/562753739.db2.gz FGTUNZXVJIYOAM-JTTJSRJUSA-N 1 0 751.925 6.119 1 0 KKAFRO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538376 562754723 /nfs/dbraw/zinc/75/47/23/562754723.db2.gz PIXHQGLHFSYQEU-JSKSTBSASA-N 1 0 796.778 6.141 1 0 KKAFRO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538491 562754854 /nfs/dbraw/zinc/75/48/54/562754854.db2.gz WRVGHUJUOPRDLV-UETQYXGNSA-N 1 0 768.724 5.360 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095539245 562754931 /nfs/dbraw/zinc/75/49/31/562754931.db2.gz QCUBIVMFCWHQOX-QRIZJJBVSA-N 1 0 764.074 6.430 3 0 KKAFRO [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1 ZINC000095540667 562755898 /nfs/dbraw/zinc/75/58/98/562755898.db2.gz PMLFMHBLGQXOCS-KXQOOQHDSA-N 1 0 790.962 5.336 1 0 KKAFRO COC(=O)c1ccccc1OCCCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095545712 562758196 /nfs/dbraw/zinc/75/81/96/562758196.db2.gz OFMHVSNETOZSQH-QZNUWAOFSA-N 1 0 802.969 7.477 1 0 KKAFRO CCCCCC[P@@](=O)(COc1ccc(CC[NH+](C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548887 562759587 /nfs/dbraw/zinc/75/95/87/562759587.db2.gz HGLRSGVEGXDYFV-XVBHLXBKSA-N 1 0 819.937 6.583 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@H]([NH3+])CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553371 562760922 /nfs/dbraw/zinc/76/09/22/562760922.db2.gz ATLHHAOOYRUXSA-NWMUMVKVSA-N 1 0 801.053 6.126 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000095554835 562761447 /nfs/dbraw/zinc/76/14/47/562761447.db2.gz KVJZHYGKVHFRKK-JBENSDGMSA-N 1 0 650.838 6.053 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3cccnc3)cc2)oc2ccccc12 ZINC000095555456 562761574 /nfs/dbraw/zinc/76/15/74/562761574.db2.gz GUZVHYKKPTUHCB-UHFFFAOYSA-N 1 0 724.810 7.622 1 0 KKAFRO CCCCc1sc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559986 562762957 /nfs/dbraw/zinc/76/29/57/562762957.db2.gz DCZWLAKNYOFZPT-UHFFFAOYSA-N 1 0 562.179 7.892 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095564646 562764409 /nfs/dbraw/zinc/76/44/09/562764409.db2.gz PKQAAOKAAVIVOG-JJJRTKIYSA-N 1 0 694.789 5.246 1 0 KKAFRO Cc1ccc(CN2CCC[C@]3([NH2+][C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000095565795 562764704 /nfs/dbraw/zinc/76/47/04/562764704.db2.gz UVWGOHYOGNDDQS-ACXCVDCASA-N 1 0 561.604 5.021 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095565960 562764773 /nfs/dbraw/zinc/76/47/73/562764773.db2.gz HMCLAGFKTYIJCB-LOTJKCTMSA-N 1 0 648.726 6.784 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095566134 562764786 /nfs/dbraw/zinc/76/47/86/562764786.db2.gz DETSJJCDIRAXSN-DOBRQBTGSA-N 1 0 622.766 6.404 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566368 562764962 /nfs/dbraw/zinc/76/49/62/562764962.db2.gz MLZGHAQZJXEDIV-STZBQRKKSA-N 1 0 636.793 6.287 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566672 562765206 /nfs/dbraw/zinc/76/52/06/562765206.db2.gz DTGXRBNGNVLSQA-SGBCODJCSA-N 1 0 672.911 7.791 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566981 562765427 /nfs/dbraw/zinc/76/54/27/562765427.db2.gz HOPYMWLRLXEYET-FBDLJDKSSA-N 1 0 708.816 5.175 1 0 KKAFRO 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)Nc3cccc4ccccc43)cc2C1=O ZINC000095567226 562765590 /nfs/dbraw/zinc/76/55/90/562765590.db2.gz AXRFBZDPAKRYDH-DEMOTUPJSA-N 1 0 735.753 8.718 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567429 562765837 /nfs/dbraw/zinc/76/58/37/562765837.db2.gz BYLIWFZGYMHZPB-XUKQSAIQSA-N 1 0 674.764 7.297 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095567759 562766073 /nfs/dbraw/zinc/76/60/73/562766073.db2.gz FGYBIZORLGBRKO-PHLCOOFXSA-N 1 0 588.793 5.021 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568105 562766354 /nfs/dbraw/zinc/76/63/54/562766354.db2.gz NDWKUNXUJXBMPH-YJYIJQSESA-N 1 0 636.749 6.078 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095568325 562766519 /nfs/dbraw/zinc/76/65/19/562766519.db2.gz OYNIYJJSCYRIFI-QAJXPZEFSA-N 1 0 666.775 6.133 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095568543 562766750 /nfs/dbraw/zinc/76/67/50/562766750.db2.gz CHFYKRHHVBHPRB-WGKZYHDKSA-N 1 0 685.693 7.565 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568666 562766774 /nfs/dbraw/zinc/76/67/74/562766774.db2.gz HSYUUPPAKBJHIW-QWQFASRJSA-N 1 0 628.648 5.430 1 0 KKAFRO 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 ZINC000095569049 562767130 /nfs/dbraw/zinc/76/71/30/562767130.db2.gz DEMCBGNJFOTASI-HQLBTAIYSA-N 1 0 638.589 5.214 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095569123 562767152 /nfs/dbraw/zinc/76/71/52/562767152.db2.gz LECUTASIXBNTEX-WVEXKQSWSA-N 1 0 689.898 6.080 1 0 KKAFRO COc1ccc(NC(=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 ZINC000095569111 562767178 /nfs/dbraw/zinc/76/71/78/562767178.db2.gz BRPKOIUAXBFUAW-SFXKCFQESA-N 1 0 622.766 6.358 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569166 562767258 /nfs/dbraw/zinc/76/72/58/562767258.db2.gz UIWHTZIAIXNFGN-USUMGCFOSA-N 1 0 718.880 6.249 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569223 562767299 /nfs/dbraw/zinc/76/72/99/562767299.db2.gz JCTQRGBOQISLQK-KWRMZWAXSA-N 1 0 664.042 6.626 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095569727 562767601 /nfs/dbraw/zinc/76/76/01/562767601.db2.gz MWZZJLSSBGSNND-UVNCRYBCSA-N 1 0 614.787 6.285 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095569731 562767673 /nfs/dbraw/zinc/76/76/73/562767673.db2.gz DVNKZOFDASKPOO-SUERDDPBSA-N 1 0 806.426 6.903 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095569766 562767683 /nfs/dbraw/zinc/76/76/83/562767683.db2.gz APCAUJZEWHRTOX-KDQDRUBRSA-N 1 0 658.799 7.628 1 0 KKAFRO 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 ZINC000095569841 562767696 /nfs/dbraw/zinc/76/76/96/562767696.db2.gz CGLNLVFPHXEQAP-CUMRGQLISA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570210 562768050 /nfs/dbraw/zinc/76/80/50/562768050.db2.gz NHGHJDDGJPIKGB-GNMOFYLKSA-N 1 0 590.687 5.512 1 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570330 562768131 /nfs/dbraw/zinc/76/81/31/562768131.db2.gz SRAYVMPNBAVWRU-ZYADHFCISA-N 1 0 646.027 6.761 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570583 562768311 /nfs/dbraw/zinc/76/83/11/562768311.db2.gz RIKKTKCVINKHQI-WAPJKPAKSA-N 1 0 667.556 6.937 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570653 562768354 /nfs/dbraw/zinc/76/83/54/562768354.db2.gz CFABTZAAJDECGO-NVOANOBXSA-N 1 0 628.814 6.214 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095570797 562768484 /nfs/dbraw/zinc/76/84/84/562768484.db2.gz FHYFYPZRCDKSKV-HYHRRZRMSA-N 1 0 608.824 5.528 3 0 KKAFRO CCOc1ccccc1C[N@@H+]1[C@@H](c2ccc(OC)cc2)CC(C(=O)OC)(C(=O)OC)[C@H]1c1ccccc1 ZINC000095570768 562768520 /nfs/dbraw/zinc/76/85/20/562768520.db2.gz OAGBJEYAKHKCAA-XNMGPUDCSA-N 1 0 503.595 5.115 3 0 KKAFRO 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Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095576839 562770734 /nfs/dbraw/zinc/77/07/34/562770734.db2.gz XVCPZFLMAOLHQX-UHFFFAOYSA-N 1 0 560.584 5.771 1 0 KKAFRO Cc1c(Cl)c(Cl)ccc1OC1CC[NH+](CC2CC[NH+]([C@@](C)(Cc3ccccc3)C(=O)[O-])CC2)CC1 ZINC000095576775 562770761 /nfs/dbraw/zinc/77/07/61/562770761.db2.gz TYDWSEQLTIBAPO-NDEPHWFRSA-N 1 0 519.513 5.943 1 0 KKAFRO CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577505 562770998 /nfs/dbraw/zinc/77/09/98/562770998.db2.gz AGUOMKYLIBUMLE-RJGXRXQPSA-N 1 0 597.650 5.317 1 0 KKAFRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095577742 562771065 /nfs/dbraw/zinc/77/10/65/562771065.db2.gz NCWQYKBAUIPYMD-WOGQQFDQSA-N 1 0 676.858 6.716 1 0 KKAFRO COc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)c1 ZINC000095577873 562771131 /nfs/dbraw/zinc/77/11/31/562771131.db2.gz PYHGCNIYRRGMIK-UHFFFAOYSA-N 1 0 561.722 8.801 1 0 KKAFRO Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2OCCc2ccccc2)C[C@H]2[N@@H+](CC5CC5)CC[C@]41[C@@]2(O)C3 ZINC000095578268 562771212 /nfs/dbraw/zinc/77/12/12/562771212.db2.gz HXOIETBHRZNHME-WDJKZLNSSA-N 1 0 533.672 5.071 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000095579631 562771600 /nfs/dbraw/zinc/77/16/00/562771600.db2.gz LEINOXRFIYQSFV-ZPGRZCPFSA-N 1 0 644.816 5.165 1 0 KKAFRO COc1ccc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)cc1-c1cccc(OC(C)=O)c1 ZINC000095583388 562772933 /nfs/dbraw/zinc/77/29/33/562772933.db2.gz VJTXXXJLUNESHV-UHFFFAOYSA-N 1 0 556.615 5.428 1 0 KKAFRO CC(C)c1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000095587271 562774247 /nfs/dbraw/zinc/77/42/47/562774247.db2.gz NFKNHAHXAMZIFN-MGBGTMOVSA-N 1 0 654.860 5.296 1 0 KKAFRO Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587339 562774262 /nfs/dbraw/zinc/77/42/62/562774262.db2.gz ZBOYECSUZSRATG-UHFFFAOYSA-N 1 0 611.233 10.637 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)c1 ZINC000095587684 562774433 /nfs/dbraw/zinc/77/44/33/562774433.db2.gz MHNXYKUQICQQIS-IOWSJCHKSA-N 1 0 559.751 5.184 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)c(Cl)c2c[nH]nc21 ZINC000095587874 562774445 /nfs/dbraw/zinc/77/44/45/562774445.db2.gz AOBPSENKFBJNAZ-SSEXGKCCSA-N 1 0 661.251 5.134 1 0 KKAFRO C[N@@H+]1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588988 562774817 /nfs/dbraw/zinc/77/48/17/562774817.db2.gz URLFXOAZLHEFBC-CPESWEKQSA-N 1 0 513.515 6.285 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000095589333 562774946 /nfs/dbraw/zinc/77/49/46/562774946.db2.gz UMVMBZYZKGIBNZ-QZFRTWIZSA-N 1 0 521.746 5.209 1 0 KKAFRO C[NH+](C)C1CCN(Cc2nnc(Cn3c4c(c(=O)nc3SCc3ccc(F)cc3)CCC4)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000095592003 562775796 /nfs/dbraw/zinc/77/57/96/562775796.db2.gz RFGOTMPJCCFSCT-UHFFFAOYSA-N 1 0 731.864 7.063 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CCC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595902 562776833 /nfs/dbraw/zinc/77/68/33/562776833.db2.gz IOXSETITQBUCMZ-QFIPXVFZSA-N 1 0 532.637 5.508 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncn1)Cc1ccc(Cl)cc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000095595927 562776836 /nfs/dbraw/zinc/77/68/36/562776836.db2.gz YDVHTDFJRKVWLR-UHFFFAOYSA-N 1 0 619.529 5.567 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598738 562777475 /nfs/dbraw/zinc/77/74/75/562777475.db2.gz KHFPDWFEACXBKS-AWYDNWMNSA-N 1 0 678.251 6.214 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095598829 562777550 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CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670340 562788298 /nfs/dbraw/zinc/78/82/98/562788298.db2.gz GLCDSMRSFSVQSW-IGKIAQTJSA-N 1 0 516.560 5.546 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000095680149 562788376 /nfs/dbraw/zinc/78/83/76/562788376.db2.gz YJCJPPNKEWBJHB-DQCZWYHMSA-N 1 0 572.731 5.555 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680093 562788392 /nfs/dbraw/zinc/78/83/92/562788392.db2.gz AYFIOZIDKGBGDF-IHMCZWCLSA-N 1 0 602.757 5.563 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@H]2C)cc1 ZINC000095692023 562788505 /nfs/dbraw/zinc/78/85/05/562788505.db2.gz AXRPYCYFPRGHTO-IEOSBIPESA-N 1 0 602.757 5.563 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095752568 562788791 /nfs/dbraw/zinc/78/87/91/562788791.db2.gz BACUFSHCHJQBQC-FOWIORFYSA-N 1 0 652.877 6.647 1 0 KKAFRO 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 ZINC000095773770 562789014 /nfs/dbraw/zinc/78/90/14/562789014.db2.gz GFVNWDBMZVYSCS-RXEQZPOXSA-N 1 0 694.833 5.455 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095775984 562789033 /nfs/dbraw/zinc/78/90/33/562789033.db2.gz VLABVJXETLVVIO-DKGMKSHISA-N 1 0 554.707 5.131 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833204 562789345 /nfs/dbraw/zinc/78/93/45/562789345.db2.gz RPCBUSZJYVBWAG-UNTHUGQZSA-N 1 0 650.801 6.693 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095833542 562789390 /nfs/dbraw/zinc/78/93/90/562789390.db2.gz IVGISJLMDFIDFY-ISCCLHIJSA-N 1 0 590.687 6.082 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095837918 562789444 /nfs/dbraw/zinc/78/94/44/562789444.db2.gz JQPAJQARRJIYSV-XIWHWFKQSA-N 1 0 622.766 6.358 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095853129 562789604 /nfs/dbraw/zinc/78/96/04/562789604.db2.gz VESPUZANCIEHEA-NIAOJTHTSA-N 1 0 636.598 5.155 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095859651 562789706 /nfs/dbraw/zinc/78/97/06/562789706.db2.gz RBDGKEGTWTXSMS-GGJMMHKRSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867111 562789787 /nfs/dbraw/zinc/78/97/87/562789787.db2.gz SEJLCTYRTRPGEU-PNRGXICFSA-N 1 0 597.756 5.497 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095869023 562789897 /nfs/dbraw/zinc/78/98/97/562789897.db2.gz HQAZDFNOZXZGFG-IEOSBIPESA-N 1 0 540.626 5.862 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868915 562789916 /nfs/dbraw/zinc/78/99/16/562789916.db2.gz ZWEDFXZUTGJBMW-IQLGONJTSA-N 1 0 593.690 6.354 1 0 KKAFRO CC(C)(C(N)=O)C1CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)CC1 ZINC000096135264 562790450 /nfs/dbraw/zinc/79/04/50/562790450.db2.gz ZLNYUCXXSDDIFU-GDLZYMKVSA-N 1 0 682.533 6.941 1 0 in-man KKAFRO CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169829 562790905 /nfs/dbraw/zinc/79/09/05/562790905.db2.gz GOWVPXNIYHDDAK-UHFFFAOYSA-N 1 0 566.628 5.435 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C1 ZINC000096172261 562791295 /nfs/dbraw/zinc/79/12/95/562791295.db2.gz HVEVWNBOUFTSIY-QPJJXVBHSA-N 1 0 538.048 5.766 1 0 KKAFRO CC[NH+]1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)Nc4cccnc4)c3n2)CC1 ZINC000096173406 562791367 /nfs/dbraw/zinc/79/13/67/562791367.db2.gz KPGVDTIUTLRPRF-UHFFFAOYSA-N 1 0 581.504 5.406 1 0 KKAFRO O=S(=O)(NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1cccc(F)c1 ZINC000096174090 562791668 /nfs/dbraw/zinc/79/16/68/562791668.db2.gz QVOTVSNEZOXVAG-UHFFFAOYSA-N 1 0 581.677 5.135 1 0 KKAFRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174098 562791724 /nfs/dbraw/zinc/79/17/24/562791724.db2.gz MGXIGLLTWMPQBT-UHFFFAOYSA-N 1 0 560.637 5.979 1 0 KKAFRO O=C(Nc1ccc2c(c1)CCO2)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174107 562791733 /nfs/dbraw/zinc/79/17/33/562791733.db2.gz LXHXJDAIKHQLDZ-UHFFFAOYSA-N 1 0 584.684 5.774 1 0 KKAFRO CNC(=O)c1c2cc(C3CC3)c(N(CCC[NH+]3CCCCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174169 562791769 /nfs/dbraw/zinc/79/17/69/562791769.db2.gz OWNWWIIFZNDWJA-UHFFFAOYSA-N 1 0 619.763 5.836 1 0 KKAFRO CCOCC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175770 562791993 /nfs/dbraw/zinc/79/19/93/562791993.db2.gz GZMMMQKHQUFFEA-UHFFFAOYSA-N 1 0 703.910 6.298 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)CC[NH+](C)C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177936 562792539 /nfs/dbraw/zinc/79/25/39/562792539.db2.gz DFICIQYIWYXVTA-UHFFFAOYSA-N 1 0 676.888 6.084 1 0 KKAFRO C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258148 562792825 /nfs/dbraw/zinc/79/28/25/562792825.db2.gz BCORTDXDARSESF-MRXNPFEDSA-N 1 0 518.416 6.199 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269471 562792937 /nfs/dbraw/zinc/79/29/37/562792937.db2.gz KZCQJHOZUQOHSD-RUZDIDTESA-N 1 0 628.745 7.399 1 0 KKAFRO C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269476 562792942 /nfs/dbraw/zinc/79/29/42/562792942.db2.gz JBDKIZMXCKQPEO-NDEPHWFRSA-N 1 0 670.826 8.569 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269475 562792965 /nfs/dbraw/zinc/79/29/65/562792965.db2.gz VGCARQWJPMTGRS-GDLZYMKVSA-N 1 0 684.853 8.959 1 0 KKAFRO C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269486 562792985 /nfs/dbraw/zinc/79/29/85/562792985.db2.gz BHBIPNYAHFZVSM-SANMLTNESA-N 1 0 551.750 8.592 1 0 KKAFRO CN(CC[NH+]1CCCC1)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269796 562793066 /nfs/dbraw/zinc/79/30/66/562793066.db2.gz QBPBLTQPOATORI-UHFFFAOYSA-N 1 0 731.864 7.065 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3c2=O)cc1F ZINC000096270753 562793360 /nfs/dbraw/zinc/79/33/60/562793360.db2.gz FAGHBGHQYBASQO-UHFFFAOYSA-N 1 0 790.214 9.299 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271291 562793749 /nfs/dbraw/zinc/79/37/49/562793749.db2.gz LLTBLDGGEZETHJ-UHFFFAOYSA-N 1 0 668.326 9.206 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271289 562793762 /nfs/dbraw/zinc/79/37/62/562793762.db2.gz BSMCSGLJFKNIIZ-UHFFFAOYSA-N 1 0 640.272 8.426 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271297 562793778 /nfs/dbraw/zinc/79/37/78/562793778.db2.gz JIONKALOKBZGKG-UHFFFAOYSA-N 1 0 598.191 7.256 1 0 KKAFRO CCCC[NH+](CCCC)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272636 562794137 /nfs/dbraw/zinc/79/41/37/562794137.db2.gz QTUXGVCSDKAGGZ-UHFFFAOYSA-N 1 0 620.798 8.469 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C(C)C)CC1 ZINC000096272775 562794253 /nfs/dbraw/zinc/79/42/53/562794253.db2.gz XFABGERDXKXSEQ-UHFFFAOYSA-N 1 0 600.229 7.483 1 0 KKAFRO CCC[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096273081 562794375 /nfs/dbraw/zinc/79/43/75/562794375.db2.gz LAXINFVDHAMRQJ-FQEVSTJZSA-N 1 0 518.420 6.564 1 0 KKAFRO [NH3+]C1CCC(Nc2nc3c(ncn3C3CCCC3)c(NCc3ccc(-c4cccc(F)c4)nc3)n2)CC1 ZINC000096273143 562794416 /nfs/dbraw/zinc/79/44/16/562794416.db2.gz AINDQZQBSRTGQF-UHFFFAOYSA-N 1 0 500.626 5.436 1 0 KKAFRO COc1ccccc1-c1ccc(CNc2nc(NC3CCC([NH3+])CC3)nc3c2ncn3C2CCCC2)cc1 ZINC000096273148 562794422 /nfs/dbraw/zinc/79/44/22/562794422.db2.gz XPLJJOBNMXZUQR-UHFFFAOYSA-N 1 0 511.674 5.911 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096285101 562795436 /nfs/dbraw/zinc/79/54/36/562795436.db2.gz OKJTTYWLYKAMBD-UHFFFAOYSA-N 1 0 611.649 6.888 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 ZINC000096285343 562795519 /nfs/dbraw/zinc/79/55/19/562795519.db2.gz BLLNKFHFWKLHQV-LXFBAYGMSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 ZINC000096285366 562795531 /nfs/dbraw/zinc/79/55/31/562795531.db2.gz VLCNIWNAFVRZRX-LXFBAYGMSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285351 562795533 /nfs/dbraw/zinc/79/55/33/562795533.db2.gz GLZGIZYROAGFSY-GIGWZHCTSA-N 1 0 580.217 6.384 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000096285346 562795535 /nfs/dbraw/zinc/79/55/35/562795535.db2.gz QQPGVUMKWQYOEK-OUTSHDOLSA-N 1 0 574.169 6.004 1 0 KKAFRO Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285376 562795586 /nfs/dbraw/zinc/79/55/86/562795586.db2.gz FRBJEUDAEXXYFS-QABMSTFYSA-N 1 0 560.787 5.495 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285402 562795632 /nfs/dbraw/zinc/79/56/32/562795632.db2.gz UPDSQDKCTCPMPO-LXFBAYGMSA-N 1 0 582.189 5.230 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302071 562796237 /nfs/dbraw/zinc/79/62/37/562796237.db2.gz RJVRDLDDCGQDGE-PBFQYQTBSA-N 1 0 620.810 6.044 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302072 562796246 /nfs/dbraw/zinc/79/62/46/562796246.db2.gz FSHOMAHJUYDWJR-NGZLLANBSA-N 1 0 616.866 7.325 1 0 KKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096902360 562797354 /nfs/dbraw/zinc/79/73/54/562797354.db2.gz XEWBBCDRWZDVGS-MIXBDBMTSA-N 1 0 516.767 5.218 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(C1CC[NH+](Cc2ccccc2)CC1)C3 ZINC000096907148 562799050 /nfs/dbraw/zinc/79/90/50/562799050.db2.gz GZOSYQCIDVYFBV-XXRSETISSA-N 1 0 624.954 10.403 1 0 KKAFRO COc1ccc(C[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 ZINC000096908068 562799282 /nfs/dbraw/zinc/79/92/82/562799282.db2.gz UPFQNDGJQZHDEJ-UWJYMKDWSA-N 1 0 555.844 6.333 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908958 562799455 /nfs/dbraw/zinc/79/94/55/562799455.db2.gz KLAVOBGBJXQRSZ-UHFFFAOYSA-N 1 0 631.202 7.707 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908955 562799463 /nfs/dbraw/zinc/79/94/63/562799463.db2.gz YNUZPPQTICIXEM-UHFFFAOYSA-N 1 0 610.784 7.362 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908964 562799499 /nfs/dbraw/zinc/79/94/99/562799499.db2.gz ZFEYMTGWHMQIRG-XMMPIXPASA-N 1 0 624.811 7.813 1 0 KKAFRO CC[NH+](CC)CCNCc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909368 562799562 /nfs/dbraw/zinc/79/95/62/562799562.db2.gz OHXFMJIMZXCCLB-UHFFFAOYSA-N 1 0 719.853 6.969 1 0 KKAFRO CC(C)[C@@H](C[N@@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000096909598 562799623 /nfs/dbraw/zinc/79/96/23/562799623.db2.gz QGFMHKNZYUPZNZ-RBTNQOKQSA-N 1 0 541.614 6.168 1 0 KKAFRO C[N@@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC(F)(F)C3)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909792 562799768 /nfs/dbraw/zinc/79/97/68/562799768.db2.gz ZXMABQSFPFLMFD-UHFFFAOYSA-N 1 0 540.614 5.806 1 0 KKAFRO C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)cn(CC[NH+](CC)CC)c1=O ZINC000096909879 562799794 /nfs/dbraw/zinc/79/97/94/562799794.db2.gz WWCWIALQFDYNFP-XJSAQWGRSA-N 1 0 532.725 6.272 1 0 KKAFRO COc1ccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)cc1 ZINC000096910119 562799867 /nfs/dbraw/zinc/79/98/67/562799867.db2.gz LONCFUZSLDPGLJ-PZGXJGMVSA-N 1 0 503.643 5.158 1 0 KKAFRO O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929485 562803041 /nfs/dbraw/zinc/80/30/41/562803041.db2.gz NGQMIUZGTLTNIT-QFIPXVFZSA-N 1 0 514.553 5.360 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932291 562803348 /nfs/dbraw/zinc/80/33/48/562803348.db2.gz IARARWMEEHJSSO-UHFFFAOYSA-N 1 0 660.668 8.373 1 0 KKAFRO CCN(CC)C(=O)n1c2cc(Cl)ccc2n(C2CC[NH+]([C@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933804 562803685 /nfs/dbraw/zinc/80/36/85/562803685.db2.gz GWHGEYZVFPCUOP-QFIPXVFZSA-N 1 0 527.065 5.108 1 0 KKAFRO CCN(CC)C(=O)n1c2cc(Cl)ccc2n(C2CC[NH+]([C@@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933803 562803707 /nfs/dbraw/zinc/80/37/07/562803707.db2.gz GWHGEYZVFPCUOP-JOCHJYFZSA-N 1 0 527.065 5.108 1 0 KKAFRO c1ccc2sc(N[C@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938105 562804431 /nfs/dbraw/zinc/80/44/31/562804431.db2.gz NLLOVMZXCOWCHJ-PMERELPUSA-N 1 0 513.707 7.303 1 0 KKAFRO Fc1ccc2nc(N[C@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)sc2c1 ZINC000096938111 562804446 /nfs/dbraw/zinc/80/44/46/562804446.db2.gz ATWPFZQKUBRXJP-PMERELPUSA-N 1 0 531.697 7.442 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)C1C(=O)OCC ZINC000100013994 562806080 /nfs/dbraw/zinc/80/60/80/562806080.db2.gz VKOMOGKJKFBTTA-CIJRZJQLSA-N 1 0 548.661 6.696 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(OC)c(OC)c4)n(Cc4ccc(OC)c(OC)c4)c3c2)C1C(=O)OC ZINC000100028507 562806189 /nfs/dbraw/zinc/80/61/89/562806189.db2.gz CMIGUXBDWJCVMT-RPVMAUEDSA-N 1 0 627.694 6.207 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)(C)C)C2 ZINC000100076420 562806649 /nfs/dbraw/zinc/80/66/49/562806649.db2.gz SFGZIFPFBZEGEC-CSSKISATSA-N 1 0 596.820 6.727 1 0 KKAFRO CC(C)(Cc1ncc[nH]1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101049769 562808916 /nfs/dbraw/zinc/80/89/16/562808916.db2.gz XKJFSQKYOGSARJ-ZTOMLWHTSA-N 1 0 520.637 5.206 1 0 KKAFRO Clc1ccc2c(c1)nc1n(/c2=N\CCCCCCCCN[C@H]2c3ccc(Cl)cc3[NH+]=C3CCCN32)CCC1 ZINC000101053620 562808946 /nfs/dbraw/zinc/80/89/46/562808946.db2.gz VEIMVQZEDAZLJO-JNOQOLMXSA-N 1 0 551.566 6.958 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)C[C@@]([NH3+])(C(=O)N2CCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101086379 562809068 /nfs/dbraw/zinc/80/90/68/562809068.db2.gz HPUOJOVHXLUXCC-VEYWIMSWSA-N 1 0 514.510 5.854 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143965 562809460 /nfs/dbraw/zinc/80/94/60/562809460.db2.gz IZTNHWMAUPLTML-ASZYYYDVSA-N 1 0 510.037 5.676 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809849 /nfs/dbraw/zinc/80/98/49/562809849.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 1 0 598.738 7.041 1 0 KKAFRO CC1=NC(=S)N(CCC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000101268828 562810101 /nfs/dbraw/zinc/81/01/01/562810101.db2.gz QFKKBLVFSGAHIT-HHHXNRCGSA-N 1 0 559.698 6.876 1 0 KKAFRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1c(F)cccc1F ZINC000101338033 562810374 /nfs/dbraw/zinc/81/03/74/562810374.db2.gz UJXZIZJAELMUHW-RIVGWTAASA-N 1 0 506.584 5.059 1 0 KKAFRO COCCCN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367537 562810431 /nfs/dbraw/zinc/81/04/31/562810431.db2.gz SGQJPPQXKVUHGS-PSWAGMNNSA-N 1 0 616.170 5.752 1 0 KKAFRO COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)N(C)CC5 ZINC000101505144 562811087 /nfs/dbraw/zinc/81/10/87/562811087.db2.gz AVICOTFUCGWABJ-UIOOFZCWSA-N 1 0 548.639 6.606 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CC3CCCCC3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000101691448 562811785 /nfs/dbraw/zinc/81/17/85/562811785.db2.gz JMEJNSTXGQNDRT-QUFBTCJSSA-N 1 0 544.736 6.284 1 0 KKAFRO CCN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696095 562811802 /nfs/dbraw/zinc/81/18/02/562811802.db2.gz OXMIJSVIKYIGSO-HSZRJFAPSA-N 1 0 610.780 6.067 1 0 KKAFRO CCN1CCC[C@H]1C[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696220 562811841 /nfs/dbraw/zinc/81/18/41/562811841.db2.gz NTPDWLWNIDHMMF-QFIPXVFZSA-N 1 0 596.753 5.677 1 0 KKAFRO O=C(C[NH2+]CCN1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696483 562811899 /nfs/dbraw/zinc/81/18/99/562811899.db2.gz PORIPDLEWQANGE-UHFFFAOYSA-N 1 0 596.753 5.679 1 0 KKAFRO COc1cc(CCC(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806558 562813326 /nfs/dbraw/zinc/81/33/26/562813326.db2.gz JXCYICKXOWATCA-VWDNVJOOSA-N 1 0 643.774 5.625 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103100265 562814297 /nfs/dbraw/zinc/81/42/97/562814297.db2.gz GYWUGKYGQVCSEZ-ZCHVARTASA-N 1 0 641.758 5.706 1 0 KKAFRO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000103135082 562814445 /nfs/dbraw/zinc/81/44/45/562814445.db2.gz HFZJXDJGOXFFIC-HSZRJFAPSA-N 1 0 501.030 5.715 1 0 KKAFRO CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196191 562815844 /nfs/dbraw/zinc/81/58/44/562815844.db2.gz JKNSMKIIYWRJFW-SSEXGKCCSA-N 1 0 620.816 5.093 1 0 KKAFRO CCN(C(=O)NCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196175 562815849 /nfs/dbraw/zinc/81/58/49/562815849.db2.gz QNNMDPWUCCMRER-GDLZYMKVSA-N 1 0 562.780 5.177 1 0 KKAFRO CCCN(C(=O)c1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198944 562815988 /nfs/dbraw/zinc/81/59/88/562815988.db2.gz QQAHRLRNHDSDDK-GDLZYMKVSA-N 1 0 547.765 5.498 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227175 562817865 /nfs/dbraw/zinc/81/78/65/562817865.db2.gz KLDQNAOVPPWNBT-OWWCKCFISA-N 1 0 541.731 6.168 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+](C)C)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228630 562818012 /nfs/dbraw/zinc/81/80/12/562818012.db2.gz OTKNPSVTBSVAHV-UHFFFAOYSA-N 1 0 535.641 5.865 1 0 KKAFRO Clc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230102 562818057 /nfs/dbraw/zinc/81/80/57/562818057.db2.gz ZEIFJJKBAHPYGV-RJRUJURLSA-N 1 0 502.470 7.392 1 0 KKAFRO COc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230117 562818138 /nfs/dbraw/zinc/81/81/38/562818138.db2.gz FVKWBAHPUAWUCW-VYMJWTMMSA-N 1 0 511.622 6.242 1 0 KKAFRO Clc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230139 562818142 /nfs/dbraw/zinc/81/81/42/562818142.db2.gz WCDYIAVPTZFADG-MSPUWCJJSA-N 1 0 536.915 8.046 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 ZINC000103233992 562818509 /nfs/dbraw/zinc/81/85/09/562818509.db2.gz IUXJXLMGFCINNP-PKQPGRETSA-N 1 0 536.720 6.760 1 0 KKAFRO Cc1cnc(Nc2ccc(C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241198 562819537 /nfs/dbraw/zinc/81/95/37/562819537.db2.gz WSSLFOBAFYKXGG-UHFFFAOYSA-N 1 0 576.623 6.094 1 0 KKAFRO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCCCCCC[N@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241419 562819601 /nfs/dbraw/zinc/81/96/01/562819601.db2.gz UNXUBWQEVXWNCW-UHFFFAOYSA-N 1 0 568.802 8.938 1 0 KKAFRO C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CC[NH2+]CC4)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 ZINC000103244816 562819745 /nfs/dbraw/zinc/81/97/45/562819745.db2.gz KWRXFAKQFYCVMI-VRCOFNPLSA-N 1 0 545.699 5.247 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)nc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254059 562820617 /nfs/dbraw/zinc/82/06/17/562820617.db2.gz BXAYHKKPWXVTLG-MKNBMTNBSA-N 1 0 614.505 5.024 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254004 562820649 /nfs/dbraw/zinc/82/06/49/562820649.db2.gz UOVSZRTTWLJPHE-RDAVAYNZSA-N 1 0 619.546 5.691 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C ZINC000103258269 562821015 /nfs/dbraw/zinc/82/10/15/562821015.db2.gz UKRTUGXKHNJCBG-GDLZYMKVSA-N 1 0 541.652 5.431 1 0 KKAFRO COC(=O)[C@](CCC[N@H+]1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265087 562822067 /nfs/dbraw/zinc/82/20/67/562822067.db2.gz VJNSKFRRVHJJRE-MHZLTWQESA-N 1 0 500.477 6.094 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268256 562822652 /nfs/dbraw/zinc/82/26/52/562822652.db2.gz ORQLPHMUPMGJPQ-LXANVCGNSA-N 1 0 632.875 5.246 1 0 KKAFRO Cc1cc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH+]3CCOCC3)C[C@H]2c2ccc(Br)cc2)c2ccc(Cl)cc2)ccn1 ZINC000103283333 562823665 /nfs/dbraw/zinc/82/36/65/562823665.db2.gz UGTLPOPMRFSDFF-OVHUPFAXSA-N 1 0 582.970 6.296 1 0 KKAFRO O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283327 562823680 /nfs/dbraw/zinc/82/36/80/562823680.db2.gz AXXCMOIEGOZRPQ-FCEKVYKBSA-N 1 0 602.400 7.246 1 0 KKAFRO CC[N@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000103299661 562824879 /nfs/dbraw/zinc/82/48/79/562824879.db2.gz XPQCSVSGABSVCD-CCEZHUSRSA-N 1 0 503.683 7.344 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)Nc2ccc(OCCO)cc2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000113334821 562826473 /nfs/dbraw/zinc/82/64/73/562826473.db2.gz JCZWYDYWXVXZMQ-NCRFVDKVSA-N 1 0 600.518 5.893 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC000114098014 562827552 /nfs/dbraw/zinc/82/75/52/562827552.db2.gz VGWPBULXNAUXJI-HSZRJFAPSA-N 1 0 512.094 5.366 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000114100312 562827743 /nfs/dbraw/zinc/82/77/43/562827743.db2.gz SVZJPUWYVAXFNM-XMMPIXPASA-N 1 0 513.078 5.333 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114601106 562828364 /nfs/dbraw/zinc/82/83/64/562828364.db2.gz QVJKMHVHKSTLSO-UHFFFAOYSA-N 1 0 536.094 6.082 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[NH+](C)C)cc3c(Nc3ccc4c(cnn4C)c3)n2)c1 ZINC000114770285 562828478 /nfs/dbraw/zinc/82/84/78/562828478.db2.gz QEQGYYKHVSFREH-UHFFFAOYSA-N 1 0 523.641 5.606 1 0 KKAFRO CCCS(=O)(=O)Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1 ZINC000114980569 562828642 /nfs/dbraw/zinc/82/86/42/562828642.db2.gz QQWPMKIOTISDDY-SANMLTNESA-N 1 0 512.075 5.988 1 0 KKAFRO CCCS(=O)(=O)Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980443 562828644 /nfs/dbraw/zinc/82/86/44/562828644.db2.gz QKCJTNKROJXRJV-VWLOTQADSA-N 1 0 512.075 5.988 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@@H]3CC[N@H+](C)C3)cn2)c1=O ZINC000116053915 562829133 /nfs/dbraw/zinc/82/91/33/562829133.db2.gz MPJHYCDNGHGKCK-OAQYLSRUSA-N 1 0 613.759 5.385 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1=O ZINC000116056480 562829195 /nfs/dbraw/zinc/82/91/95/562829195.db2.gz NCIPWTVNNZITQZ-UHFFFAOYSA-N 1 0 627.786 5.775 1 0 KKAFRO Brc1c2nc(NCCC[NH+]3CCCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117193395 562829684 /nfs/dbraw/zinc/82/96/84/562829684.db2.gz AVFNHNDTSRCCOQ-UHFFFAOYSA-N 1 0 573.953 5.901 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795555 562830647 /nfs/dbraw/zinc/83/06/47/562830647.db2.gz NCDHHXTYFKEITD-DHYKOVJISA-N 1 0 562.154 6.640 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797933 562830682 /nfs/dbraw/zinc/83/06/82/562830682.db2.gz WKPFGADMDMLPOJ-TXDYMCHWSA-N 1 0 604.191 6.866 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cccc7ccccc76)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889759 562831634 /nfs/dbraw/zinc/83/16/34/562831634.db2.gz ZCGZFRFSXBJLMT-LTDHPMEISA-N 1 0 627.870 5.332 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000138445547 562831894 /nfs/dbraw/zinc/83/18/94/562831894.db2.gz JNPQRCBWRFVILY-UHFFFAOYSA-N 1 0 569.584 5.301 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)c2cccs2)C1 ZINC000138610111 562832047 /nfs/dbraw/zinc/83/20/47/562832047.db2.gz RYECAVBLJLROOW-YLQXFRFJSA-N 1 0 536.569 6.277 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](c2c[nH]c3ccccc32)[C@H](O)C1 ZINC000138614127 562832120 /nfs/dbraw/zinc/83/21/20/562832120.db2.gz KXZLPSIOZXQKOP-RRDWJJQPSA-N 1 0 500.470 5.625 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000139023081 562832307 /nfs/dbraw/zinc/83/23/07/562832307.db2.gz LFZMHPBICVCVNB-XMMPIXPASA-N 1 0 512.094 5.000 1 0 KKAFRO C[NH+](C)CCCOc1ccc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cn1 ZINC000139596940 562832650 /nfs/dbraw/zinc/83/26/50/562832650.db2.gz DCPPHIRTTFNMRQ-UHFFFAOYSA-N 1 0 512.536 5.078 1 0 KKAFRO CCc1cccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000140480508 562833073 /nfs/dbraw/zinc/83/30/73/562833073.db2.gz HMWXVRNYPUAKEU-QRXNUUPWSA-N 1 0 545.683 6.044 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)C1 ZINC000140518510 562833112 /nfs/dbraw/zinc/83/31/12/562833112.db2.gz BUANHUJQTZLXSX-GMAHTHKFSA-N 1 0 514.686 5.033 1 0 KKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140518749 562833116 /nfs/dbraw/zinc/83/31/16/562833116.db2.gz BFYZNAOKDWKLBO-OZXSUGGESA-N 1 0 584.683 5.616 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140518303 562833134 /nfs/dbraw/zinc/83/31/34/562833134.db2.gz JUZWOJQHVONRPX-GMAHTHKFSA-N 1 0 564.693 5.913 1 0 KKAFRO C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142004782 562833880 /nfs/dbraw/zinc/83/38/80/562833880.db2.gz PIQWOQHEODPFLM-CLJLJLNGSA-N 1 0 561.782 8.868 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)N(C)C)c[nH]2)c1 ZINC000142131448 562833959 /nfs/dbraw/zinc/83/39/59/562833959.db2.gz JUKLVJXIJYFWGR-NDEPHWFRSA-N 1 0 558.658 5.589 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccc(C)cc3)c[nH]2)c1 ZINC000142255020 562834090 /nfs/dbraw/zinc/83/40/90/562834090.db2.gz QJTUFIIFXFYXOO-HHHXNRCGSA-N 1 0 501.606 6.196 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762148 562834287 /nfs/dbraw/zinc/83/42/87/562834287.db2.gz LVONMJJLVXJEPS-DHLKQENFSA-N 1 0 511.515 5.224 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3)cn2C)c1 ZINC000142812496 562834339 /nfs/dbraw/zinc/83/43/39/562834339.db2.gz VLUAWJZKVDKCMV-MHZLTWQESA-N 1 0 501.606 5.898 1 0 KKAFRO COc1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143087420 562834590 /nfs/dbraw/zinc/83/45/90/562834590.db2.gz WDTKVBXUZANKRN-UHFFFAOYSA-N 1 0 572.113 5.120 1 0 KKAFRO CCOc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143105041 562834628 /nfs/dbraw/zinc/83/46/28/562834628.db2.gz YUTOVSQDRRHWQM-UHFFFAOYSA-N 1 0 537.712 5.239 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143725191 562835243 /nfs/dbraw/zinc/83/52/43/562835243.db2.gz SVRXJVGEJNTFDZ-ZDCRTTOTSA-N 1 0 599.697 7.103 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724981 562835250 /nfs/dbraw/zinc/83/52/50/562835250.db2.gz SVRXJVGEJNTFDZ-XFCANUNOSA-N 1 0 599.697 7.103 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144266257 562836016 /nfs/dbraw/zinc/83/60/16/562836016.db2.gz AHIJWSZQOHIMAS-UHFFFAOYSA-N 1 0 533.676 5.558 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc([C@H]3CCC[N@H+]3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288326 562836046 /nfs/dbraw/zinc/83/60/46/562836046.db2.gz LGSGFTMLNOAYCK-GDLZYMKVSA-N 1 0 504.634 6.578 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1cn(C)c2c1CCCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000144919717 562836689 /nfs/dbraw/zinc/83/66/89/562836689.db2.gz CNSGSATYYDDERW-UHFFFAOYSA-N 1 0 593.776 5.852 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146007186 562837909 /nfs/dbraw/zinc/83/79/09/562837909.db2.gz HZMAWNDVYWVYAC-MRXNPFEDSA-N 1 0 584.599 5.011 1 0 KKAFRO CC(C)C(=O)Nc1sc2nc(N3CCC(COCC[NH+]4CCCC4)CC3)ncc2c1-c1ccccc1 ZINC000146480183 562838602 /nfs/dbraw/zinc/83/86/02/562838602.db2.gz BBWDCJFXYIIWIR-UHFFFAOYSA-N 1 0 507.704 5.282 1 0 KKAFRO C#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)c4ccccc4)cc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl ZINC000146642412 562838750 /nfs/dbraw/zinc/83/87/50/562838750.db2.gz UGYLWNRBYPGVEF-KCWXNJEJSA-N 1 0 593.039 7.867 1 0 KKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872008 562838880 /nfs/dbraw/zinc/83/88/80/562838880.db2.gz IYBGHBZUXSMOKI-GKCHCDMOSA-N 1 0 506.650 6.115 1 0 KKAFRO CCNC(=O)N1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000147043760 562839071 /nfs/dbraw/zinc/83/90/71/562839071.db2.gz MCIIAYUIIHWTEG-IUXWYWOJSA-N 1 0 618.581 5.193 1 0 KKAFRO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[NH+]5CCCCC5)nc4)n[nH]c3c1)C(=O)N2 ZINC000148020392 562839916 /nfs/dbraw/zinc/83/99/16/562839916.db2.gz LLWIMNNGCHBSEF-OTQKXZBHSA-N 1 0 505.622 5.500 1 0 KKAFRO CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148156630 562840370 /nfs/dbraw/zinc/84/03/70/562840370.db2.gz NCCMSZWETHBHSM-UHFFFAOYSA-N 1 0 595.674 5.587 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148164593 562840414 /nfs/dbraw/zinc/84/04/14/562840414.db2.gz NQHMFQYOTZKYKX-UHFFFAOYSA-N 1 0 580.615 5.284 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148211743 562840570 /nfs/dbraw/zinc/84/05/70/562840570.db2.gz BRMBPISALWWOLE-UHFFFAOYSA-N 1 0 512.662 5.019 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N[C@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000148255330 562840723 /nfs/dbraw/zinc/84/07/23/562840723.db2.gz KBAGSCMZYWHUIY-QFIPXVFZSA-N 1 0 621.668 5.086 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CC[NH+](CC6CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148282145 562840834 /nfs/dbraw/zinc/84/08/34/562840834.db2.gz XBQTXWZSPWRNCZ-UHFFFAOYSA-N 1 0 596.589 5.114 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148306760 562840971 /nfs/dbraw/zinc/84/09/71/562840971.db2.gz QEYQFBBBZSZSHE-NRFANRHFSA-N 1 0 609.632 5.043 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([NH+]6CCCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148350185 562841147 /nfs/dbraw/zinc/84/11/47/562841147.db2.gz RMIMQWHOSYRFFP-UHFFFAOYSA-N 1 0 606.653 5.816 1 0 KKAFRO COc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C[NH+]5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148356691 562841165 /nfs/dbraw/zinc/84/11/65/562841165.db2.gz LRHPMYHKWOLZGB-UHFFFAOYSA-N 1 0 537.546 5.347 1 0 KKAFRO COc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148741002 562841745 /nfs/dbraw/zinc/84/17/45/562841745.db2.gz ZKSMNJVVPOADIE-GOSISDBHSA-N 1 0 514.998 5.014 1 0 KKAFRO COc1cc(N2CCC[N@H+](C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148753009 562841782 /nfs/dbraw/zinc/84/17/82/562841782.db2.gz MQCNUAFNUAISQK-UHFFFAOYSA-N 1 0 514.998 5.016 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148829490 562841819 /nfs/dbraw/zinc/84/18/19/562841819.db2.gz UMBAXYUNLBBCLW-VWLOTQADSA-N 1 0 524.105 5.890 1 0 KKAFRO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149224882 562842495 /nfs/dbraw/zinc/84/24/95/562842495.db2.gz UETYAVAIGWIDEO-OAQYLSRUSA-N 1 0 555.063 5.938 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(-c3cccc(C)c3)c2)C(C)C)ccc1OC ZINC000150137879 562842880 /nfs/dbraw/zinc/84/28/80/562842880.db2.gz GYURMHJSNYXVEG-BZKUTMRRSA-N 1 0 560.735 5.741 1 0 KKAFRO C[NH+](C)CCC(=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524954 562843746 /nfs/dbraw/zinc/84/37/46/562843746.db2.gz HRGHDEMNCYCUCS-MGBGTMOVSA-N 1 0 720.715 5.412 1 0 KKAFRO O[C@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@@H](O)CN3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)CN1CCOCC1 ZINC000150561645 562844910 /nfs/dbraw/zinc/84/49/10/562844910.db2.gz OHOBNUOBOCABGF-PMACEKPBSA-N 1 0 938.187 6.291 1 0 KKAFRO Cc1ccc([C@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586650 562845862 /nfs/dbraw/zinc/84/58/62/562845862.db2.gz MFAMOPUOBNKRKO-HCJVMEMPSA-N 1 0 755.905 6.561 1 0 KKAFRO Cc1ccc([C@@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586654 562845879 /nfs/dbraw/zinc/84/58/79/562845879.db2.gz MFAMOPUOBNKRKO-UVNLRBHVSA-N 1 0 755.905 6.561 1 0 KKAFRO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)o1 ZINC000150587893 562845930 /nfs/dbraw/zinc/84/59/30/562845930.db2.gz UDYMDPJTJDUNMQ-UHFFFAOYSA-N 1 0 718.799 7.431 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588319 562845973 /nfs/dbraw/zinc/84/59/73/562845973.db2.gz IZLDOWNQXOSBQR-DYKQPOOOSA-N 1 0 820.774 7.015 1 0 KKAFRO CC(C)[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606291 562847933 /nfs/dbraw/zinc/84/79/33/562847933.db2.gz AVNPYHOCFYSARF-LBHUVFDKSA-N 1 0 692.946 6.206 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5CC[NH2+]CC5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000162965038 562849300 /nfs/dbraw/zinc/84/93/00/562849300.db2.gz DDLPYTYQTBPWNR-UHFFFAOYSA-N 1 0 688.899 6.132 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163632848 562849383 /nfs/dbraw/zinc/84/93/83/562849383.db2.gz KHZJHZKEYDLJSM-SWBIORQWSA-N 1 0 653.803 5.375 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCCN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163639863 562849389 /nfs/dbraw/zinc/84/93/89/562849389.db2.gz BOLHCUZVJPHIDF-FLSDQSJTSA-N 1 0 681.857 5.808 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](CC(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000165276863 562850076 /nfs/dbraw/zinc/85/00/76/562850076.db2.gz WJJHQYYOEWHKTO-DEOSSOPVSA-N 1 0 651.713 6.069 1 0 KKAFRO CCNc1nnc(-c2ccc(C3=CCN(C(=O)C[N@@H+]4CC[C@@](OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)c(F)c2)o1 ZINC000165581014 562850282 /nfs/dbraw/zinc/85/02/82/562850282.db2.gz LKDDLRNTWQGUHF-BHVANESWSA-N 1 0 682.732 5.335 1 0 KKAFRO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc2)nc2nc(C)cn21 ZINC000166664846 562850432 /nfs/dbraw/zinc/85/04/32/562850432.db2.gz LFRPXRBPJQZTMI-UHFFFAOYSA-N 1 0 527.636 5.193 1 0 KKAFRO Cc1cn2c(n1)nc(-c1ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000166683912 562850450 /nfs/dbraw/zinc/85/04/50/562850450.db2.gz KUPCIMLXVLSZBL-UHFFFAOYSA-N 1 0 555.690 5.972 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc(C(F)(F)F)ccc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166691513 562850477 /nfs/dbraw/zinc/85/04/77/562850477.db2.gz HEXVXEKKZNKKSL-UHFFFAOYSA-N 1 0 567.619 7.041 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000167075530 562850602 /nfs/dbraw/zinc/85/06/02/562850602.db2.gz RDMDYYYJDXIUDF-AREMUKBSSA-N 1 0 544.606 5.288 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN6C[C@@H](C)[NH2+][C@@H](C)C6)cc5)c4)CC3)cn21 ZINC000167522943 562850884 /nfs/dbraw/zinc/85/08/84/562850884.db2.gz QRGFWLQABJUBCF-FLSDQSJTSA-N 1 0 689.836 6.289 1 0 KKAFRO C[NH+](C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](NC(=O)c3cn4cc(F)ccc4n3)CC2)c1 ZINC000167959125 562851131 /nfs/dbraw/zinc/85/11/31/562851131.db2.gz SJGSDOWJAQWCHC-WMPKNSHKSA-N 1 0 640.691 5.705 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000167990202 562851235 /nfs/dbraw/zinc/85/12/35/562851235.db2.gz BGTCXGXSKWHLPW-QVTSAQFISA-N 1 0 542.511 5.889 1 0 KKAFRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000168081959 562851237 /nfs/dbraw/zinc/85/12/37/562851237.db2.gz PDJAYZAJEHUMDM-XLQILXQQSA-N 1 0 538.614 5.007 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4cc(O)cc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)c4)c3)CC2)nn1C ZINC000168129427 562851253 /nfs/dbraw/zinc/85/12/53/562851253.db2.gz IPAJHMLMONLPPL-JFAUGGILSA-N 1 0 669.802 5.081 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000168089188 562851257 /nfs/dbraw/zinc/85/12/57/562851257.db2.gz AWYGAVYSWRPYNI-UHFFFAOYSA-N 1 0 591.517 6.222 1 0 KKAFRO C[NH+]1CCC(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)CC1 ZINC000168349805 562851310 /nfs/dbraw/zinc/85/13/10/562851310.db2.gz PVZZWZYWXOLCLH-VPEWXMBWSA-N 1 0 539.664 5.507 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cccnc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000168188954 562851314 /nfs/dbraw/zinc/85/13/14/562851314.db2.gz HSEYVRLNEKZLLK-UHFFFAOYSA-N 1 0 500.610 5.418 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000168367706 562851348 /nfs/dbraw/zinc/85/13/48/562851348.db2.gz MKROHLHAQJWPTH-MPZYELNSSA-N 1 0 541.618 5.601 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293599 562852084 /nfs/dbraw/zinc/85/20/84/562852084.db2.gz HLMMHUFTDWSTBP-FCHUYYIVSA-N 1 0 504.631 5.159 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCC[NH2+]CCNc4ccnc5ccc(Cl)cc54)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169297899 562852622 /nfs/dbraw/zinc/85/26/22/562852622.db2.gz ZAZHHDGOKKMOSF-NJVOLIHBSA-N 1 0 724.383 7.980 1 0 KKAFRO CN(C)C(=O)NCCCN(C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccc(F)cc2)N1c1ccc(-c2ccccc2)cc1 ZINC000169307069 562853691 /nfs/dbraw/zinc/85/36/91/562853691.db2.gz UCEDESPOEVHPGY-MGBGTMOVSA-N 1 0 606.746 6.341 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccccc3F)cc2)nn1C ZINC000169308195 562854049 /nfs/dbraw/zinc/85/40/49/562854049.db2.gz MSUILRRYXTYOSR-UHFFFAOYSA-N 1 0 588.724 7.560 1 0 KKAFRO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310154 562854662 /nfs/dbraw/zinc/85/46/62/562854662.db2.gz UWULGUFSFZJDEY-ULPIOCOXSA-N 1 0 580.685 5.231 1 0 KKAFRO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310151 562854679 /nfs/dbraw/zinc/85/46/79/562854679.db2.gz UWULGUFSFZJDEY-OVMXQCPESA-N 1 0 580.685 5.231 1 0 KKAFRO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310148 562854712 /nfs/dbraw/zinc/85/47/12/562854712.db2.gz UWULGUFSFZJDEY-MKGJDZFWSA-N 1 0 580.685 5.231 1 0 KKAFRO CC(C)c1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000169311392 562855150 /nfs/dbraw/zinc/85/51/50/562855150.db2.gz SUUZFEQGUGHTTA-UHFFFAOYSA-N 1 0 578.639 5.957 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312239 562855314 /nfs/dbraw/zinc/85/53/14/562855314.db2.gz NUZXKZLGVSJZQL-MFMCTBQISA-N 1 0 514.691 6.854 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(OC)cc2)nn1C ZINC000169312768 562855426 /nfs/dbraw/zinc/85/54/26/562855426.db2.gz FEIFXXXHQUXIIQ-UHFFFAOYSA-N 1 0 508.663 5.638 1 0 KKAFRO CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@@H](O)C[NH2+]CCNC(=O)Nc1ccccc1 ZINC000169318814 562856119 /nfs/dbraw/zinc/85/61/19/562856119.db2.gz QZGJVUOMYSCIKX-BUCZBDGVSA-N 1 0 543.752 6.603 1 0 KKAFRO CCOC(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CCC45CC6CC(CC(C6)C4)C5)CC3)c(F)cc2c1=O ZINC000169321733 562856748 /nfs/dbraw/zinc/85/67/48/562856748.db2.gz STRVRXRFUXGPON-UHFFFAOYSA-N 1 0 521.677 5.381 1 0 KKAFRO CN(CCC[NH+](C)C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323980 562857246 /nfs/dbraw/zinc/85/72/46/562857246.db2.gz ZOCJVKXBNHCCQK-NDEPHWFRSA-N 1 0 629.636 7.016 1 0 KKAFRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000169328267 562858352 /nfs/dbraw/zinc/85/83/52/562858352.db2.gz VTLGZAPEXMQVJB-VKAIGLIFSA-N 1 0 628.809 7.298 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C[C@@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000169329758 562858577 /nfs/dbraw/zinc/85/85/77/562858577.db2.gz NRQKOIIFRGQHPK-LQFQNGICSA-N 1 0 627.867 6.098 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334053 562859439 /nfs/dbraw/zinc/85/94/39/562859439.db2.gz ARWQGXVGACZQBH-DEOSSOPVSA-N 1 0 575.886 8.380 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(Cl)cc21 ZINC000169334598 562859519 /nfs/dbraw/zinc/85/95/19/562859519.db2.gz OCFAPIBWWLMVPN-HSZRJFAPSA-N 1 0 528.351 8.759 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335780 562859732 /nfs/dbraw/zinc/85/97/32/562859732.db2.gz HRORQRZPBMTODP-HHHXNRCGSA-N 1 0 505.024 8.023 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Oc2cccc(C(F)(F)F)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169337014 562859912 /nfs/dbraw/zinc/85/99/12/562859912.db2.gz LCYZHTMZWWSSGK-SANMLTNESA-N 1 0 528.442 8.893 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343518 562861181 /nfs/dbraw/zinc/86/11/81/562861181.db2.gz QXBBLTVHGIMTJE-PTKZXZCGSA-N 1 0 699.814 8.614 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3cccs3)c2)cc1F ZINC000169345211 562861513 /nfs/dbraw/zinc/86/15/13/562861513.db2.gz JZHLJSQRMBQYME-UHFFFAOYSA-N 1 0 662.809 6.720 1 0 KKAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@@H+](C)CC3)ncc1Cl ZINC000169345258 562861562 /nfs/dbraw/zinc/86/15/62/562861562.db2.gz RMBJAPLSOZTGDA-QGZVFWFLSA-N 1 0 500.068 5.391 1 0 KKAFRO O=C(CCCSc1nc2ccccc2n1C1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000169346466 562861756 /nfs/dbraw/zinc/86/17/56/562861756.db2.gz ILYFQFQNUKYYHY-UHFFFAOYSA-N 1 0 561.698 7.370 1 0 KKAFRO CCOC(=O)/C=C/C(=O)Nc1ccccc1CCC[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346317 562861765 /nfs/dbraw/zinc/86/17/65/562861765.db2.gz UHHMKYFIVVBCLB-ZPLHYYKDSA-N 1 0 502.655 5.141 1 0 KKAFRO O=C(CCC[NH+]1CCC(n2c3ccccc3nc2SCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000169346468 562861791 /nfs/dbraw/zinc/86/17/91/562861791.db2.gz JEQGKIGGTHSIRD-UHFFFAOYSA-N 1 0 550.099 7.104 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3cc(O)ccc32)CC1 ZINC000169348363 562862158 /nfs/dbraw/zinc/86/21/58/562862158.db2.gz YIEZRRRVKWCLFU-UHFFFAOYSA-N 1 0 568.640 7.466 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350398 562862845 /nfs/dbraw/zinc/86/28/45/562862845.db2.gz JBJZYGZTNVVXMN-UHFFFAOYSA-N 1 0 686.184 7.436 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350709 562862909 /nfs/dbraw/zinc/86/29/09/562862909.db2.gz NORQIYMCKYRXOJ-UHFFFAOYSA-N 1 0 651.739 6.845 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350714 562862916 /nfs/dbraw/zinc/86/29/16/562862916.db2.gz RVPSNYLJUHSZDC-UHFFFAOYSA-N 1 0 655.702 6.675 1 0 KKAFRO O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1 ZINC000169353025 562863332 /nfs/dbraw/zinc/86/33/32/562863332.db2.gz MIMZFWLVKRMQDU-DHUJRADRSA-N 1 0 644.845 7.163 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H]([C@H]3CCC[NH2+]C3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353008 562863334 /nfs/dbraw/zinc/86/33/34/562863334.db2.gz XFKBTTLKRPNYMX-SCAVLVJOSA-N 1 0 603.770 8.388 1 0 KKAFRO CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[NH+](C)C ZINC000169353305 562863441 /nfs/dbraw/zinc/86/34/41/562863441.db2.gz SAECJVQBEGICIO-FIRIVFDPSA-N 1 0 628.789 5.907 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000169354586 562863666 /nfs/dbraw/zinc/86/36/66/562863666.db2.gz DUTXSEWRTZPJLR-IXQHYERASA-N 1 0 691.889 5.986 1 0 KKAFRO Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@@H]([NH3+])CO)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169359752 562864084 /nfs/dbraw/zinc/86/40/84/562864084.db2.gz KHPQHOQTMRAMGT-INEBQLFXSA-N 1 0 764.974 9.217 1 0 KKAFRO CC[N@H+]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000169373563 562864910 /nfs/dbraw/zinc/86/49/10/562864910.db2.gz DCZQYXXNARKPSE-GVPNVNDJSA-N 1 0 573.690 5.691 3 0 KKAFRO CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700223 562867616 /nfs/dbraw/zinc/86/76/16/562867616.db2.gz KVGPVCYSGPUFTJ-SLXNBQQMSA-N 1 0 598.578 5.583 1 0 KKAFRO CC[C@@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702182 562868228 /nfs/dbraw/zinc/86/82/28/562868228.db2.gz UZGVFWVIJIASHB-XMMPIXPASA-N 1 0 523.685 5.022 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(C)cc1C)CC2 ZINC000169702198 562868261 /nfs/dbraw/zinc/86/82/61/562868261.db2.gz MKRLEWWGGSREOD-UHFFFAOYSA-N 1 0 524.669 5.486 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000169702245 562868265 /nfs/dbraw/zinc/86/82/65/562868265.db2.gz PPYLFYCCTSGYBM-UHFFFAOYSA-N 1 0 545.087 5.831 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702252 562868271 /nfs/dbraw/zinc/86/82/71/562868271.db2.gz VAIAUKCZKJPKFB-SFHVURJKSA-N 1 0 572.113 5.433 1 0 KKAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(Nc3ccc(C[NH+]4CCCC4)cc3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703470 562868770 /nfs/dbraw/zinc/86/87/70/562868770.db2.gz FVYVYLIPKROMIA-UHFFFAOYSA-N 1 0 581.724 7.197 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704495 562868990 /nfs/dbraw/zinc/86/89/90/562868990.db2.gz OGADCDGFLKGXPZ-SANMLTNESA-N 1 0 591.552 6.883 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@@H]1CCc1ccccc1 ZINC000169704514 562869029 /nfs/dbraw/zinc/86/90/29/562869029.db2.gz AJUDGSWDKCDVCE-AREMUKBSSA-N 1 0 611.661 6.141 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169704507 562869030 /nfs/dbraw/zinc/86/90/30/562869030.db2.gz INOBMLHJHRPMST-RUZDIDTESA-N 1 0 595.971 7.527 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@@H]1CCc1ccccc1 ZINC000169704551 562869055 /nfs/dbraw/zinc/86/90/55/562869055.db2.gz WURDPAAKPUIYKI-AREMUKBSSA-N 1 0 521.583 6.115 3 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705463 562869383 /nfs/dbraw/zinc/86/93/83/562869383.db2.gz QISCNELKGABNFQ-OAQYLSRUSA-N 1 0 517.952 5.605 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000169707553 562870041 /nfs/dbraw/zinc/87/00/41/562870041.db2.gz CFOIPLNAQHKFCO-UHFFFAOYSA-N 1 0 641.556 5.287 1 0 KKAFRO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000169710796 562870743 /nfs/dbraw/zinc/87/07/43/562870743.db2.gz PAHDMNWZEBXEGD-MUUNZHRXSA-N 1 0 604.213 5.300 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C(C)C)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711513 562870959 /nfs/dbraw/zinc/87/09/59/562870959.db2.gz AEOGIRUULHSAPQ-UHFFFAOYSA-N 1 0 585.705 5.881 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000169711505 562870976 /nfs/dbraw/zinc/87/09/76/562870976.db2.gz TXOQFLRUTYZUGU-UHFFFAOYSA-N 1 0 513.598 5.134 1 0 KKAFRO CC[NH+]1CC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCOC)ccn3)cc2)C1 ZINC000169711614 562871051 /nfs/dbraw/zinc/87/10/51/562871051.db2.gz WWAMBZOLXABJNM-UHFFFAOYSA-N 1 0 557.651 5.103 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5C[NH+](C(C)C)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711613 562871069 /nfs/dbraw/zinc/87/10/69/562871069.db2.gz SXCYLVKTHAGKTR-UHFFFAOYSA-N 1 0 571.678 5.491 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000169711593 562871094 /nfs/dbraw/zinc/87/10/94/562871094.db2.gz JWNAUIYGGMVKPX-UHFFFAOYSA-N 1 0 599.732 6.272 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc([NH+]=c3ccn(C)cc3)c2)[C@H]1O ZINC000169718908 562871327 /nfs/dbraw/zinc/87/13/27/562871327.db2.gz MCVKUHCRQQVQEE-FIRIVFDPSA-N 1 0 549.781 5.970 1 0 KKAFRO C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169741569 562871422 /nfs/dbraw/zinc/87/14/22/562871422.db2.gz LDVRAJSZIPKJHL-VFXRXZKFSA-N 1 0 582.629 7.285 1 0 KKAFRO CCc1ccccc1-c1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000196616466 562872580 /nfs/dbraw/zinc/87/25/80/562872580.db2.gz KJRMSZFCCVITKM-NCCGNHMWSA-N 1 0 545.683 6.044 1 0 KKAFRO CC[NH+](CC)[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)cc1 ZINC000199683069 562873029 /nfs/dbraw/zinc/87/30/29/562873029.db2.gz QBDNZKACLDDLNA-NSOVKSMOSA-N 1 0 503.152 5.585 1 0 KKAFRO CC[NH+](CC)[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)cc1 ZINC000199683059 562873034 /nfs/dbraw/zinc/87/30/34/562873034.db2.gz QBDNZKACLDDLNA-WUFINQPMSA-N 1 0 503.152 5.585 1 0 KKAFRO CC[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199802529 562873129 /nfs/dbraw/zinc/87/31/29/562873129.db2.gz CTHQUTHHHNLCMC-GCJKJVERSA-N 1 0 528.607 5.078 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000203798096 562874163 /nfs/dbraw/zinc/87/41/63/562874163.db2.gz GOXWPHHXBRESDW-KRWDZBQOSA-N 1 0 508.062 6.029 1 0 KKAFRO Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC([NH+]7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204946546 562874629 /nfs/dbraw/zinc/87/46/29/562874629.db2.gz QTDCAXYCFZXWPG-UHFFFAOYSA-N 1 0 524.698 5.284 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc5c4ccn5Cc4ccccc4)CC3)cc2N1 ZINC000206271242 562876408 /nfs/dbraw/zinc/87/64/08/562876408.db2.gz PRFXSTWAKKZDRM-UHFFFAOYSA-N 1 0 508.666 5.556 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221084313 562878774 /nfs/dbraw/zinc/87/87/74/562878774.db2.gz SSHNWZWLAACLAH-RSYKJWEYSA-N 1 0 560.085 5.036 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1c(I)cc(I)cc1-2 ZINC000221681976 562879105 /nfs/dbraw/zinc/87/91/05/562879105.db2.gz HVSFSZIVXAAAGO-INIZCTEOSA-N 1 0 640.757 6.633 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(-c4c[nH]c(-c5ccccc5)n4)cc32)c1C ZINC000221771621 562879255 /nfs/dbraw/zinc/87/92/55/562879255.db2.gz MKKNDYHZIUGUPL-ULJHMMPZSA-N 1 0 522.653 5.253 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000221843020 562879269 /nfs/dbraw/zinc/87/92/69/562879269.db2.gz MKVSYSYLVOKFBA-ITYLOYPMSA-N 1 0 534.664 5.111 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1F ZINC000222185916 562879752 /nfs/dbraw/zinc/87/97/52/562879752.db2.gz QOBYLORHSHBOAP-UHFFFAOYSA-N 1 0 596.663 6.181 1 0 KKAFRO COc1ccc(C(C)C)cc1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223688041 562880159 /nfs/dbraw/zinc/88/01/59/562880159.db2.gz OTUBWGLHXFVKSB-DEOSSOPVSA-N 1 0 523.706 6.843 1 0 KKAFRO Cc1sc2c(nc(-c3ccncc3)nc2NC[C@@H]([NH3+])Cc2ccccc2)c1-c1cc(Cl)ccc1OC(C)C ZINC000223679374 562880172 /nfs/dbraw/zinc/88/01/72/562880172.db2.gz JFKOKKMSZFDIKT-QHCPKHFHSA-N 1 0 544.124 7.151 1 0 KKAFRO Cc1ccc(Cl)cc1N1C(=O)c2nn(C3CC[NH+](C)CC3)c(C(C)C)c2[C@H]1c1ccc(Cl)cc1C ZINC000224056270 562880210 /nfs/dbraw/zinc/88/02/10/562880210.db2.gz GNUPSFNBJBWYRB-HHHXNRCGSA-N 1 0 511.497 6.947 1 0 KKAFRO COc1ccc(C[NH3+])cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224062260 562880221 /nfs/dbraw/zinc/88/02/21/562880221.db2.gz ZJWOFSLLBIUKPW-LJAQVGFWSA-N 1 0 549.502 7.136 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@H](O)C[NH+]1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101047 562880352 /nfs/dbraw/zinc/88/03/52/562880352.db2.gz ILSKQZCULNKRSM-WNSROMTISA-N 1 0 637.583 7.201 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@@H](O)C[NH+]1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101155 562880374 /nfs/dbraw/zinc/88/03/74/562880374.db2.gz ILSKQZCULNKRSM-QCBOHVIISA-N 1 0 637.583 7.201 1 0 KKAFRO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000253635612 562882241 /nfs/dbraw/zinc/88/22/41/562882241.db2.gz XOQWEZVGZTXXBC-QCKMFSDUSA-N 1 0 531.737 5.287 1 0 KKAFRO CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253680053 562882816 /nfs/dbraw/zinc/88/28/16/562882816.db2.gz XEAMFNQXXHLSLU-ARLPLZOUSA-N 1 0 634.214 5.789 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@H](Nc2nc3c(ncn3C(C)C)c(NCc3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000253679930 562882823 /nfs/dbraw/zinc/88/28/23/562882823.db2.gz ZXFGRIREWGYNSU-MCZWQBSQSA-N 1 0 511.718 6.751 1 0 KKAFRO CCOc1cc(OCC)cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)c1 ZINC000299826398 562883863 /nfs/dbraw/zinc/88/38/63/562883863.db2.gz FXWZTYUATPUVDI-MUUNZHRXSA-N 1 0 571.640 5.189 1 0 KKAFRO Cc1cc(Nc2nc3ccccc3o2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299827383 562884145 /nfs/dbraw/zinc/88/41/45/562884145.db2.gz GISZVPBPRUQLCY-HZCBDIJESA-N 1 0 557.658 7.359 1 0 KKAFRO COc1ccc([C@@H]2[C@@H](c3ccc([C@@H](O)c4ccc(OCC[NH+]5CCCC5)cc4)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299829345 562884827 /nfs/dbraw/zinc/88/48/27/562884827.db2.gz TWJWRMVCNFZKDN-YAFWASLJSA-N 1 0 578.709 6.132 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3C)ccc2OC)c1 ZINC000299831128 562885467 /nfs/dbraw/zinc/88/54/67/562885467.db2.gz IWMLMUIBIYYAFM-UHFFFAOYSA-N 1 0 536.672 7.072 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299832209 562885818 /nfs/dbraw/zinc/88/58/18/562885818.db2.gz FKIGNRIKSXHZMX-UHFFFAOYSA-N 1 0 693.702 6.351 1 0 KKAFRO C[C@H](Nc1c(-c2c(F)cc(OCCC[NH2+]C(C)(C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000299833891 562886314 /nfs/dbraw/zinc/88/63/14/562886314.db2.gz OAPSOEVUZUHNJU-NSHDSACASA-N 1 0 506.907 5.243 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3CCC(N4CCOCC4)CC3)cc2)c(O)cc1O ZINC000299836528 562887215 /nfs/dbraw/zinc/88/72/15/562887215.db2.gz NIFFFYPXJYKJJY-UHFFFAOYSA-N 1 0 560.695 5.188 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C)c2C)cc1F ZINC000299837557 562887490 /nfs/dbraw/zinc/88/74/90/562887490.db2.gz RJMBEUADUJYIEH-UHFFFAOYSA-N 1 0 610.690 6.489 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299837712 562887586 /nfs/dbraw/zinc/88/75/86/562887586.db2.gz PFSPMYHTZUFJQW-UHFFFAOYSA-N 1 0 593.882 6.838 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299838759 562887913 /nfs/dbraw/zinc/88/79/13/562887913.db2.gz NTPONQDFXCPKQO-UHFFFAOYSA-N 1 0 705.762 7.766 1 0 KKAFRO COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CC[NH+](C)CC4)cc3-c3ccccc3)ccc2OC)c1 ZINC000299839728 562888289 /nfs/dbraw/zinc/88/82/89/562888289.db2.gz SWHRRIABQQCXDH-UHFFFAOYSA-N 1 0 550.699 6.483 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299840533 562888588 /nfs/dbraw/zinc/88/85/88/562888588.db2.gz XYMHLMDLDHRKKO-UHFFFAOYSA-N 1 0 767.656 6.905 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cc1-c1cccc(N)c1 ZINC000299840972 562888705 /nfs/dbraw/zinc/88/87/05/562888705.db2.gz XBQPKGWOUZNCQU-UHFFFAOYSA-N 1 0 507.634 6.337 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4C)cc3)ccc2OC)c1 ZINC000299841336 562888848 /nfs/dbraw/zinc/88/88/48/562888848.db2.gz ZHRXTJFXKWAZEQ-UHFFFAOYSA-N 1 0 536.672 7.072 1 0 KKAFRO O=S(=O)(NC[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc3[C@@H]2Cc2cccnc2)CC1)c1ccccc1 ZINC000299847483 562889938 /nfs/dbraw/zinc/88/99/38/562889938.db2.gz QVZPBSHMFRXZBI-TZZQULJZSA-N 1 0 521.702 5.236 1 0 KKAFRO Cc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299854574 562891390 /nfs/dbraw/zinc/89/13/90/562891390.db2.gz AJBVFXOBGJCYGI-UHFFFAOYSA-N 1 0 522.624 5.627 1 0 KKAFRO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299854693 562891421 /nfs/dbraw/zinc/89/14/21/562891421.db2.gz BASFZZGEGBLXOZ-UHFFFAOYSA-N 1 0 603.948 6.595 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3cc(-c4cccnc4)ccc32)C1 ZINC000299854762 562891469 /nfs/dbraw/zinc/89/14/69/562891469.db2.gz ANARUSDEEXNZJU-MZMVFCBMSA-N 1 0 547.665 7.124 1 0 KKAFRO Cc1cccc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299856655 562891983 /nfs/dbraw/zinc/89/19/83/562891983.db2.gz DBOKVVRTOYWYNR-LLISZCHOSA-N 1 0 560.704 8.038 1 0 KKAFRO O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299858407 562892414 /nfs/dbraw/zinc/89/24/14/562892414.db2.gz RGVYBZYQLHLRFW-UHFFFAOYSA-N 1 0 559.497 6.486 1 0 KKAFRO C[NH+](C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864794 562894177 /nfs/dbraw/zinc/89/41/77/562894177.db2.gz MVEOKWWWGIPPQA-XREYCITQSA-N 1 0 545.683 5.792 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCC3CC3)c2)n1 ZINC000299865085 562894305 /nfs/dbraw/zinc/89/43/05/562894305.db2.gz NCWNHUNTEASHMC-UHFFFAOYSA-N 1 0 537.064 5.555 1 0 KKAFRO COc1cc2oc(-c3cccc(OCC(=O)NCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299865612 562894458 /nfs/dbraw/zinc/89/44/58/562894458.db2.gz NYWLZADYCPAMIA-UHFFFAOYSA-N 1 0 672.178 6.954 1 0 KKAFRO COc1ccccc1-c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865751 562894530 /nfs/dbraw/zinc/89/45/30/562894530.db2.gz ULCUQTYKXUQEQA-UDBCBOCPSA-N 1 0 576.703 7.738 1 0 KKAFRO C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299866178 562894588 /nfs/dbraw/zinc/89/45/88/562894588.db2.gz OQCFGGOXRNFFJG-KANMSUPUSA-N 1 0 545.683 5.790 1 0 KKAFRO CC[NH+](CC)Cc1csc(-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)n1 ZINC000299866519 562894662 /nfs/dbraw/zinc/89/46/62/562894662.db2.gz WBNLKANUOUTECR-SFHVURJKSA-N 1 0 505.065 5.122 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1cccc(C(=O)Nc3ccccc3N)c1)CC2 ZINC000299867034 562894758 /nfs/dbraw/zinc/89/47/58/562894758.db2.gz XIBREIKGGKRRBU-SANMLTNESA-N 1 0 581.669 5.360 1 0 KKAFRO CC[NH+](CC)Cc1cccn1-c1cc(F)c(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(F)c1 ZINC000299867998 562894985 /nfs/dbraw/zinc/89/49/85/562894985.db2.gz ZCSFEPCPVMQOQW-KRWDZBQOSA-N 1 0 523.005 5.067 1 0 KKAFRO Nc1noc2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(-c6cnn(C7CC[NH2+]CC7)c6)cc5)CC4)cc3)c12 ZINC000299870687 562895505 /nfs/dbraw/zinc/89/55/05/562895505.db2.gz WSECSIYSTVOKKJ-UHFFFAOYSA-N 1 0 561.646 5.222 1 0 KKAFRO c1ccc2sc(SCCCCN3CC[NH+](CCCCSc4nc5ccccc5s4)CC3)nc2c1 ZINC000473081274 562896597 /nfs/dbraw/zinc/89/65/97/562896597.db2.gz BNERDISSYMQSCF-UHFFFAOYSA-N 1 0 528.838 6.968 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000473086724 562897078 /nfs/dbraw/zinc/89/70/78/562897078.db2.gz CNIWZQPSVDYFSY-UHFFFAOYSA-N 1 0 576.167 5.438 1 0 in-vitro KKAFRO Cc1c(CNC(=O)c2ccc3ccccc3c2)c2[n+](c(C)c1CNC(=O)c1ccc3ccccc3c1)CCC2 ZINC000473104088 562898146 /nfs/dbraw/zinc/89/81/46/562898146.db2.gz OGSBVITYCWWQRK-UHFFFAOYSA-O 1 0 514.649 5.704 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1ccc(CNc3ccc4[nH]ccc4c3)cc1)C2 ZINC000473105955 562898228 /nfs/dbraw/zinc/89/82/28/562898228.db2.gz UZLRAURTWLGLEO-NUVMXGFHSA-N 1 0 593.768 6.953 1 0 KKAFRO O=C(CCC[NH+]1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000473108244 562898401 /nfs/dbraw/zinc/89/84/01/562898401.db2.gz LLKRKXJNMABFNP-UHFFFAOYSA-N 1 0 514.510 5.685 1 0 KKAFRO CC(C)C[C@H]1CN2C(=CC3=[NH+]C[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1 ZINC000473109221 562898465 /nfs/dbraw/zinc/89/84/65/562898465.db2.gz RDAXOAHVMDAOHY-CPCREDONSA-N 1 0 534.748 5.759 1 0 KKAFRO CC[N@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473113283 562898782 /nfs/dbraw/zinc/89/87/82/562898782.db2.gz IISBJVRBKISFCJ-UHFFFAOYSA-N 1 0 545.676 6.947 1 0 KKAFRO CC[N@H+](CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473114018 562898851 /nfs/dbraw/zinc/89/88/51/562898851.db2.gz LHGFBGVOLWJYNC-UHFFFAOYSA-N 1 0 533.621 5.785 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473114387 562898948 /nfs/dbraw/zinc/89/89/48/562898948.db2.gz NJMHGTWUMGDPBL-UHFFFAOYSA-N 1 0 561.675 6.566 1 0 KKAFRO CC[N@H+](CCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473115892 562899100 /nfs/dbraw/zinc/89/91/00/562899100.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 1 0 533.621 5.873 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2cccc(F)c2)cc1 ZINC000473119488 562899285 /nfs/dbraw/zinc/89/92/85/562899285.db2.gz AYNJDFMFFIERLA-OGPASDKVSA-N 1 0 557.626 5.316 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473120511 562899362 /nfs/dbraw/zinc/89/93/62/562899362.db2.gz DSJCPDXJBJZMEJ-CWDCEQMOSA-N 1 0 535.954 5.270 1 0 KKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]CCCCCCCCCCF)cc1)c1ccccc1 ZINC000473122078 562899460 /nfs/dbraw/zinc/89/94/60/562899460.db2.gz IPKXDKBBLQZJOL-YHZPTAEISA-N 1 0 517.729 8.820 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000473134814 562900530 /nfs/dbraw/zinc/90/05/30/562900530.db2.gz IJPOQHANNXTLGS-XOSCKEEYSA-N 1 0 501.667 5.049 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([N@@H+]1CC[C@@H](F)C1)CC2 ZINC000473145150 562901303 /nfs/dbraw/zinc/90/13/03/562901303.db2.gz KWNAEWYQYPOIBQ-QURRFSBHSA-N 1 0 555.543 5.387 1 0 KKAFRO Fc1ccc2c(c1)onc2C1CC[NH+](CCCOc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1 ZINC000473155994 562902420 /nfs/dbraw/zinc/90/24/20/562902420.db2.gz SDPWBLYTEKGWLP-UHFFFAOYSA-N 1 0 505.977 7.077 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+](C)CCO)CC4)c3c2)cc(Cl)c1O ZINC000473159155 562902657 /nfs/dbraw/zinc/90/26/57/562902657.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 1 0 538.088 5.179 1 0 KKAFRO CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(C[NH+](C)C)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473243806 562904741 /nfs/dbraw/zinc/90/47/41/562904741.db2.gz BLDXWRFKMMDTCA-ISILISOKSA-N 1 0 571.766 5.255 1 0 KKAFRO CCN(c1cc(-c2cnc(C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244490 562904885 /nfs/dbraw/zinc/90/48/85/562904885.db2.gz MNRLYFJXPPCPDA-DIVCQZSQSA-N 1 0 530.717 5.107 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4ccc(Br)cc4)[nH]3)ccc21 ZINC000474603375 562905234 /nfs/dbraw/zinc/90/52/34/562905234.db2.gz BXSRSTILCNULAT-MHZLTWQESA-N 1 0 521.434 6.156 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(F)c3)c(=O)n2C)cc1F ZINC000474603886 562905253 /nfs/dbraw/zinc/90/52/53/562905253.db2.gz DBLBTCIPMTTXBA-UHFFFAOYSA-N 1 0 689.735 7.004 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(=O)n2C)cc1F ZINC000474607060 562905359 /nfs/dbraw/zinc/90/53/59/562905359.db2.gz IMYFGASYVCQZRY-UHFFFAOYSA-N 1 0 706.190 7.518 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Br)cc3)c(=O)n2C)cc1F ZINC000474606094 562905360 /nfs/dbraw/zinc/90/53/60/562905360.db2.gz HIEABAWAMZKMHV-UHFFFAOYSA-N 1 0 733.639 6.004 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2C)cc1F ZINC000474609770 562905699 /nfs/dbraw/zinc/90/56/99/562905699.db2.gz UVSIBVLSEPOIBQ-UHFFFAOYSA-N 1 0 689.188 5.895 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)cc3)c(=O)n2C)cc1F ZINC000474610079 562905820 /nfs/dbraw/zinc/90/58/20/562905820.db2.gz ZXTBQNPNDYAULZ-UHFFFAOYSA-N 1 0 671.745 6.865 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc5ccccc5n4)ccc32)c1C ZINC000653663049 562905895 /nfs/dbraw/zinc/90/58/95/562905895.db2.gz GZGLMOPXCBGIME-MOHJPFBDSA-N 1 0 507.638 5.411 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4nc5ccccc5s4)cc32)c1C ZINC000653670299 562906138 /nfs/dbraw/zinc/90/61/38/562906138.db2.gz ZCTQMWDOMOVDDI-PGMHBOJBSA-N 1 0 513.667 5.473 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653685007 562906478 /nfs/dbraw/zinc/90/64/78/562906478.db2.gz GHNVNCXYLHYQDO-UHFFFAOYSA-N 1 0 575.709 7.189 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CC[NH+](C)C)c1ccc(Br)cc1 ZINC000653699618 562907259 /nfs/dbraw/zinc/90/72/59/562907259.db2.gz QDRJSIIKIUXVRU-YTTGMZPUSA-N 1 0 586.530 6.534 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000653699598 562907261 /nfs/dbraw/zinc/90/72/61/562907261.db2.gz IXLSBDXBCUSOJH-PSXMRANNSA-N 1 0 557.694 6.925 1 0 KKAFRO Cc1ccc(C[NH+]2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653705314 562907748 /nfs/dbraw/zinc/90/77/48/562907748.db2.gz MIDLJYVZAMZZQC-UHFFFAOYSA-N 1 0 629.605 8.351 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000653714241 562908412 /nfs/dbraw/zinc/90/84/12/562908412.db2.gz FSIFTUHBPHJAAD-PSXMRANNSA-N 1 0 557.694 6.925 1 0 KKAFRO CCCCCC[NH+](CCCCCC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1C(F)(F)F ZINC000653721790 562908761 /nfs/dbraw/zinc/90/87/61/562908761.db2.gz YKSJVVHQOXOPHA-LJAQVGFWSA-N 1 0 583.695 7.952 1 0 KKAFRO CCCC[C@@H](OC(=O)CN1CC[NH+](CCCCCOc2ccccc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653725349 562909011 /nfs/dbraw/zinc/90/90/11/562909011.db2.gz GLQVMMJJLNNFHT-LSWRZMNJSA-N 1 0 761.869 6.321 1 0 KKAFRO [NH3+][C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653729242 562909350 /nfs/dbraw/zinc/90/93/50/562909350.db2.gz OIEMABJJRMOPCQ-ZPGRZCPFSA-N 1 0 644.816 5.165 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@@H]([NH3+])C2(C)C ZINC000653728724 562909363 /nfs/dbraw/zinc/90/93/63/562909363.db2.gz WMLFTPJTSQTLNL-HSZRJFAPSA-N 1 0 530.094 5.359 1 0 KKAFRO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(c4nc5cc(F)ccc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653737628 562909835 /nfs/dbraw/zinc/90/98/35/562909835.db2.gz LXVYUHJXPQZIFC-UHFFFAOYSA-N 1 0 623.732 8.393 1 0 KKAFRO CC[N@H+](CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1 ZINC000653739163 562910040 /nfs/dbraw/zinc/91/00/40/562910040.db2.gz LSIKGIFEOURDJB-OUKQBFOZSA-N 1 0 502.655 5.672 1 0 KKAFRO O=S(=O)([N-]c1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC000653742644 562910207 /nfs/dbraw/zinc/91/02/07/562910207.db2.gz GUGZIAOSXOELAU-LJQANCHMSA-N 1 0 521.586 5.254 1 0 KKAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(-c3ccccc3)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000653759939 562911216 /nfs/dbraw/zinc/91/12/16/562911216.db2.gz FPAUYFFDYRSLII-UHFFFAOYSA-N 1 0 587.684 5.076 1 0 KKAFRO CCN(CC)C(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768959 562911741 /nfs/dbraw/zinc/91/17/41/562911741.db2.gz JLMVLYYCQLMTCP-NSOVKSMOSA-N 1 0 603.881 5.295 1 0 KKAFRO O=S(=O)(c1ccc(F)cc1)N(CC1CC1)C1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1 ZINC000653781843 562912192 /nfs/dbraw/zinc/91/21/92/562912192.db2.gz XIPPMBYEJXCYMK-UHFFFAOYSA-N 1 0 508.659 5.437 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccccc1Br ZINC000653785887 562912384 /nfs/dbraw/zinc/91/23/84/562912384.db2.gz HQTRXMBWSZFJAY-KYJUHHDHSA-N 1 0 544.517 5.323 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(=O)N6CCCC6)c5)c4c3)cc2)CC1 ZINC000653794138 562912888 /nfs/dbraw/zinc/91/28/88/562912888.db2.gz XGCZXXNGRXPGMX-UHFFFAOYSA-N 1 0 564.694 5.001 1 0 KKAFRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653795299 562913030 /nfs/dbraw/zinc/91/30/30/562913030.db2.gz VLSTVQVTBBKYDN-UHFFFAOYSA-N 1 0 521.543 6.408 1 0 KKAFRO C[N@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1 ZINC000653823128 562914251 /nfs/dbraw/zinc/91/42/51/562914251.db2.gz CQTFNVLDNHGYMC-UHFFFAOYSA-N 1 0 542.676 6.585 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCC[NH+]3CCOCC3)c2)c(F)c1)Nc1ccccc1C(F)(F)F ZINC000653843498 562915005 /nfs/dbraw/zinc/91/50/05/562915005.db2.gz LARHKFZBLDXROJ-UHFFFAOYSA-N 1 0 585.562 5.657 1 0 KKAFRO C[NH+](C)CCCN1c2ccccc2CCc2ccc(CCCOCCCOCCCN3c4ccccc4CCc4ccccc43)cc21 ZINC000653849294 562915412 /nfs/dbraw/zinc/91/54/12/562915412.db2.gz NDULAFSPRLMDAI-UHFFFAOYSA-N 1 0 631.905 8.558 1 0 KKAFRO CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[n+]4ccn(C)c4)cc3)c3ccccc3c2=O)cc1 ZINC000653850195 562915472 /nfs/dbraw/zinc/91/54/72/562915472.db2.gz SDXMMIQYSLXGBY-UHFFFAOYSA-N 1 0 522.673 5.384 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@@H]4CCC[N@@H+]4C)c(F)c3)c2cc1OC ZINC000653864042 562916126 /nfs/dbraw/zinc/91/61/26/562916126.db2.gz KPUCSRWYMCPNNM-UNMCSNQZSA-N 1 0 592.115 6.650 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1F ZINC000653874615 562916591 /nfs/dbraw/zinc/91/65/91/562916591.db2.gz NASZVPJPERCJLV-UHFFFAOYSA-N 1 0 661.532 6.635 1 0 KKAFRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(NC(=O)c5ccco5)ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000653882141 562916736 /nfs/dbraw/zinc/91/67/36/562916736.db2.gz NALKPGBKOWMTTO-UHFFFAOYSA-N 1 0 601.629 6.558 1 0 KKAFRO CCN(CC)c1ccc2cc(C(=O)NCCCC[NH+]3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000653883018 562916908 /nfs/dbraw/zinc/91/69/08/562916908.db2.gz FUCOYJUYPRXNIH-UHFFFAOYSA-N 1 0 638.788 6.263 1 0 KKAFRO CC(C)(C)c1ccc(-c2cn([C@H](C[NH+]3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887960 562917068 /nfs/dbraw/zinc/91/70/68/562917068.db2.gz FDGHNDMFQXREFC-HHHXNRCGSA-N 1 0 512.748 7.249 1 0 KKAFRO CC(C)(C)c1ccc(-c2cn([C@@H](C[NH+]3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888017 562917121 /nfs/dbraw/zinc/91/71/21/562917121.db2.gz KPEVFWABFLSPAM-LJAQVGFWSA-N 1 0 539.749 5.810 1 0 KKAFRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(cc(OC)c(OC)c4-3)CCN2C)cc1 ZINC000058569477 565115027 /nfs/dbraw/zinc/11/50/27/565115027.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 1 0 638.761 6.448 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)CCC(C)C ZINC000085571384 565146057 /nfs/dbraw/zinc/14/60/57/565146057.db2.gz JLQUPLCIHXBKJE-LQSJBDIGSA-N 1 0 687.921 9.669 1 0 biogenic,in-vitro KKAFRO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](C[NH+]3C)C4)c(OC)cc2CC[N@H+]1C ZINC000095485888 565173427 /nfs/dbraw/zinc/17/34/27/565173427.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 1 0 664.843 6.775 1 0 biogenic,in-vitro KKAFRO CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000150350051 565202526 /nfs/dbraw/zinc/20/25/26/565202526.db2.gz RZIDPURBHIEUBW-UHFFFAOYSA-N 1 0 684.813 7.039 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3S(=O)(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823341 581100686 /nfs/dbraw/zinc/10/06/86/581100686.db2.gz JRCHKVVMHCOVBA-DLMWIQERSA-N 1 0 578.706 5.784 1 0 KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3C[C@@H](C)C=C[C@@H]4C[C@H]1[C@@H]5C=CC[C@@H]1C ZINC000085531882 291920495 /nfs/dbraw/zinc/92/04/95/291920495.db2.gz ZJTHOGAWMSZMCL-ZFGOZKPASA-N 1 0 579.781 7.322 1 0 biogenic,in-vitro KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(/C(=C/[C@H]2C=C[C@H]4CC[C@H]5C=CC=C[C@]45C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000085531989 291938233 /nfs/dbraw/zinc/93/82/33/291938233.db2.gz MQWNEZWWLWBCCU-JLLFVMJPSA-N 1 0 563.738 6.852 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CCC[C@@H]2C3)c1)CO4 ZINC000085567379 291940452 /nfs/dbraw/zinc/94/04/52/291940452.db2.gz ZDNHKUVDZWSMHU-NDYBFFBQSA-N 1 0 778.943 6.979 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2C(C)(C)CO)c1)CO4 ZINC000085567395 291940463 /nfs/dbraw/zinc/94/04/63/291940463.db2.gz XMKJNQLAGQCQDA-AWSTYODSSA-N 1 0 756.893 5.247 1 0 biogenic,in-vitro KKAFRO CCc1cc(C[C@@H]2CC[C@@]3(C2)Cc2cc(O)cc(OCO)c2-c2ccc4c(c23)O[C@H](c2ccc(O)c(OC)c2)[C@H]4COC(C)=O)c[nH+]c1N ZINC000085568380 291948381 /nfs/dbraw/zinc/94/83/81/291948381.db2.gz DCRBJYNSYLPFDQ-RWZCOJQESA-N 1 0 666.771 6.259 1 0 biogenic,in-vitro KKAFRO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH2+][C@@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3=NCC2 ZINC000085666525 291978383 /nfs/dbraw/zinc/97/83/83/291978383.db2.gz KWEYISWYFYQDJC-RUZDIDTESA-N 1 0 564.638 6.030 1 0 biogenic,in-vitro KKAFRO CCc1c2ccc(OC)c(OCc3ccc(C(C)(C)C)cc3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000001548820 561677424 /nfs/dbraw/zinc/67/74/24/561677424.db2.gz QNOMRKCLGJMBOO-UHFFFAOYSA-N 1 0 512.670 6.815 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)C1CCCCC1 ZINC000003931504 561687502 /nfs/dbraw/zinc/68/75/02/561687502.db2.gz VKSITIDMXFEQJN-KYJUHHDHSA-N 1 0 535.773 5.887 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000003932554 561687746 /nfs/dbraw/zinc/68/77/46/561687746.db2.gz BFXFDLMTMKFDSG-YHZPTAEISA-N 1 0 607.620 9.476 1 0 KKAFRO C[N@H+](CCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000003941507 561689333 /nfs/dbraw/zinc/68/93/33/561689333.db2.gz ZNZDCIBRQPJMQD-UHFFFAOYSA-N 1 0 524.514 7.262 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000002008962 561680539 /nfs/dbraw/zinc/68/05/39/561680539.db2.gz YGPZHTPVLQFEEE-UHFFFAOYSA-N 1 0 562.802 7.433 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000003947952 561690110 /nfs/dbraw/zinc/69/01/10/561690110.db2.gz NDUYMDVQDJTRFL-UHFFFAOYSA-N 1 0 616.872 6.058 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC(C)(C)C)(C(=O)OCC(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000003961063 561691190 /nfs/dbraw/zinc/69/11/90/561691190.db2.gz YMCPLCLBRCTBNW-XXBNENTESA-N 1 0 562.103 5.240 1 0 KKAFRO C[NH+](C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000003962832 561691286 /nfs/dbraw/zinc/69/12/86/561691286.db2.gz XYUYSDBKGVJSKN-UHFFFAOYSA-N 1 0 539.639 5.652 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccc(F)cc3Cl)n2)CC1 ZINC000003980256 561692397 /nfs/dbraw/zinc/69/23/97/561692397.db2.gz TZWVWEKHMVIEJH-UHFFFAOYSA-N 1 0 558.912 8.130 1 0 KKAFRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000003989403 561693154 /nfs/dbraw/zinc/69/31/54/561693154.db2.gz GJNNFCMJAHQXBR-UHFFFAOYSA-N 1 0 593.349 6.427 1 0 KKAFRO CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=[NH2+])N(C)[C@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000005537373 561696112 /nfs/dbraw/zinc/69/61/12/561696112.db2.gz BMGKUMOJIJODJU-ZDUSSCGKSA-N 1 0 555.457 5.067 1 0 KKAFRO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000005582798 561697292 /nfs/dbraw/zinc/69/72/92/561697292.db2.gz SJVYWFQLQAFMML-UHFFFAOYSA-N 1 0 568.797 6.733 1 0 KKAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823030 561698764 /nfs/dbraw/zinc/69/87/64/561698764.db2.gz HKSABFMJANGSMM-UZNNEEJFSA-N 1 0 521.657 7.300 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@@H]2CCCC[C@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923779 561700275 /nfs/dbraw/zinc/70/02/75/561700275.db2.gz UPXQKZKLSGNVHJ-BHBAPUPVSA-N 1 0 511.615 5.170 1 0 KKAFRO C[NH+](CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2 ZINC000006018712 561701868 /nfs/dbraw/zinc/70/18/68/561701868.db2.gz HDUFPFHIONJNJK-UHFFFAOYSA-N 1 0 633.756 5.292 1 0 KKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)cc12 ZINC000013454407 561713489 /nfs/dbraw/zinc/71/34/89/561713489.db2.gz NGOGKKBBHCVORF-UHFFFAOYSA-N 1 0 514.065 7.842 1 0 KKAFRO COc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)[N@H+](CC3CC3)CC[C@]425)c1 ZINC000006018973 561702004 /nfs/dbraw/zinc/70/20/04/561702004.db2.gz YTLGAZWZLBXUKJ-OUDZLNJNSA-N 1 0 504.630 5.543 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000006511223 561702781 /nfs/dbraw/zinc/70/27/81/561702781.db2.gz LYDOHOJKPPNXJX-JGCGQSQUSA-N 1 0 574.766 6.063 1 0 KKAFRO COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455671 561713663 /nfs/dbraw/zinc/71/36/63/561713663.db2.gz LOXUUVJTKHHJKI-QFIPXVFZSA-N 1 0 500.658 7.186 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596969 561706065 /nfs/dbraw/zinc/70/60/65/561706065.db2.gz CMRZPEQDXOUDCW-UHFFFAOYSA-N 1 0 637.225 5.591 1 0 KKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679914 561706902 /nfs/dbraw/zinc/70/69/02/561706902.db2.gz ZEPXBJNKUZWBDJ-MHKXILBSSA-N 1 0 553.149 9.091 3 0 aggregator KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690096 561707745 /nfs/dbraw/zinc/70/77/45/561707745.db2.gz UESIYDZPBMNPLD-ALQBRSPBSA-N 1 0 516.651 8.169 3 0 KKAFRO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435674 553960172 /nfs/dbraw/zinc/96/01/72/553960172.db2.gz REMYYYICRNOILH-MGTSJQRLSA-N 1 0 507.675 5.218 2 0 KKAFRO COc1ccc([C@@H]2Cc3cc(Sc4ccccc4)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450887 561713328 /nfs/dbraw/zinc/71/33/28/561713328.db2.gz PYVDJSHKPUQHAF-XTEPFMGCSA-N 1 0 504.652 5.013 1 0 KKAFRO CC(=O)c1cccc(NC(=O)Nc2cc3c(cc2C[NH+]2CCC(Cc4ccc(F)cc4)CC2)OCO3)c1 ZINC000013475834 561714746 /nfs/dbraw/zinc/71/47/46/561714746.db2.gz NDXPXQWBWHPZBF-UHFFFAOYSA-N 1 0 503.574 5.856 1 0 KKAFRO O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000013529164 561717546 /nfs/dbraw/zinc/71/75/46/561717546.db2.gz NVSXFDQTCYVKHH-MUUNZHRXSA-N 1 0 509.646 5.379 1 0 KKAFRO O=C(NCCC[C@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000013545650 561718217 /nfs/dbraw/zinc/71/82/17/561718217.db2.gz AISQFGWPSVARMU-WIOPSUGQSA-N 1 0 505.534 5.537 3 0 KKAFRO COc1cccc(OC)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560294 561719728 /nfs/dbraw/zinc/71/97/28/561719728.db2.gz MVNNBOOQUVZTLT-UHFFFAOYSA-N 1 0 513.682 6.001 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12 ZINC000013587837 561720870 /nfs/dbraw/zinc/72/08/70/561720870.db2.gz SACRSUCIYWDREQ-SANMLTNESA-N 1 0 500.393 5.235 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2 ZINC000013588500 561721010 /nfs/dbraw/zinc/72/10/10/561721010.db2.gz XXDKXXVEKGJMFE-UHFFFAOYSA-N 1 0 527.459 5.196 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2c(Cl)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646540 561722554 /nfs/dbraw/zinc/72/25/54/561722554.db2.gz SKYXWYPKUXHAPX-UHFFFAOYSA-N 1 0 517.482 6.316 1 0 KKAFRO CCN(CC)c1ccc(N2CC[NH+](C[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651316 561723088 /nfs/dbraw/zinc/72/30/88/561723088.db2.gz XFUNZJAYNITYED-WJOKGBTCSA-N 1 0 523.766 5.311 1 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013661177 561723531 /nfs/dbraw/zinc/72/35/31/561723531.db2.gz NPBPQBFJIHOBHC-SANMLTNESA-N 1 0 526.677 6.551 3 0 KKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674187 561723892 /nfs/dbraw/zinc/72/38/92/561723892.db2.gz KEZJSZDVAAWYLU-FQEVSTJZSA-N 1 0 508.403 6.114 1 0 KKAFRO CCN(CCC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000013745780 561726752 /nfs/dbraw/zinc/72/67/52/561726752.db2.gz PAVSPZQGQAPNNA-UHFFFAOYSA-N 1 0 504.696 5.425 1 0 KKAFRO C[N@H+](CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799745 561730381 /nfs/dbraw/zinc/73/03/81/561730381.db2.gz KTZFWUUKOUWTMJ-MHZLTWQESA-N 1 0 528.715 5.301 1 0 KKAFRO CC(C)c1cc([C@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799690 561730398 /nfs/dbraw/zinc/73/03/98/561730398.db2.gz RDNYXEDBZMOHTQ-MUUNZHRXSA-N 1 0 514.688 5.343 1 0 KKAFRO CC(C)c1cc([C@@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799686 561730414 /nfs/dbraw/zinc/73/04/14/561730414.db2.gz RDNYXEDBZMOHTQ-NDEPHWFRSA-N 1 0 514.688 5.343 1 0 KKAFRO O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CC[NH+]([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 ZINC000013806865 561731484 /nfs/dbraw/zinc/73/14/84/561731484.db2.gz RZYITGJRSITIGE-XMMPIXPASA-N 1 0 520.504 6.192 1 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812955 561731788 /nfs/dbraw/zinc/73/17/88/561731788.db2.gz ALLKBIANVUTXDD-LMBSYKFDSA-N 1 0 511.591 7.184 3 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824922 561732713 /nfs/dbraw/zinc/73/27/13/561732713.db2.gz FVPCYOBHFAOFOE-UHFFFAOYSA-N 1 0 507.621 6.879 1 0 KKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000013826823 561733012 /nfs/dbraw/zinc/73/30/12/561733012.db2.gz QLRUMELLFYFLRX-UHFFFAOYSA-N 1 0 522.468 5.772 1 0 KKAFRO CC(=O)Nc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013829946 561733226 /nfs/dbraw/zinc/73/32/26/561733226.db2.gz ILAUSUDKTJLFLK-MUUNZHRXSA-N 1 0 501.696 5.125 1 0 KKAFRO Cc1cc(O)c(C)c2sc(-c3ccc(O)cc3)c(C(=O)c3ccc(OCC[NH+]4CCCCC4)cc3)c21 ZINC000013834299 561734103 /nfs/dbraw/zinc/73/41/03/561734103.db2.gz OQYNDLOKEXDJQA-UHFFFAOYSA-N 1 0 501.648 6.692 1 0 KKAFRO FC(F)(F)c1cc(-c2ccc(NCCC3CC[NH+](Cc4ccccc4)CC3)nn2)cc(C(F)(F)F)c1 ZINC000013863637 561735105 /nfs/dbraw/zinc/73/51/05/561735105.db2.gz HCXVOHFCPIQPSP-UHFFFAOYSA-N 1 0 508.510 6.895 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1cccc(F)c1 ZINC000013975565 561735895 /nfs/dbraw/zinc/73/58/95/561735895.db2.gz TZNZMTAIOJDNJP-IXCJQBJRSA-N 1 0 523.446 6.116 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000014096480 561736526 /nfs/dbraw/zinc/73/65/26/561736526.db2.gz XMCRJVIWAZBDSM-PMERELPUSA-N 1 0 630.717 5.150 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000014115399 561736671 /nfs/dbraw/zinc/73/66/71/561736671.db2.gz SBVKGMUDJCJZJQ-GOXSRMGUSA-N 1 0 612.792 7.142 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014209330 561737729 /nfs/dbraw/zinc/73/77/29/561737729.db2.gz RRPFZSIJHKDDSJ-XYFQYJLHSA-N 1 0 599.002 6.691 1 0 KKAFRO CC[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000014294805 561739503 /nfs/dbraw/zinc/73/95/03/561739503.db2.gz FRGKOLSKMIBPHY-GDLZYMKVSA-N 1 0 556.769 6.081 1 0 KKAFRO C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(N(CCCC(F)(F)F)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945882 561743365 /nfs/dbraw/zinc/74/33/65/561743365.db2.gz HQGMRHNRHQZULO-IBGZPJMESA-N 1 0 558.432 6.309 1 0 KKAFRO C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945880 561743376 /nfs/dbraw/zinc/74/33/76/561743376.db2.gz QTWWPQCPRVZKCB-QHCPKHFHSA-N 1 0 538.479 6.167 1 0 KKAFRO CC[N@H+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950425 561745540 /nfs/dbraw/zinc/74/55/40/561745540.db2.gz OKBAPMZESMJOQK-UHFFFAOYSA-N 1 0 560.580 5.936 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[NH+]5CCCC5)cc3F)CC4)cc12 ZINC000014950454 561745556 /nfs/dbraw/zinc/74/55/56/561745556.db2.gz KVMNDDXISQYKQH-UHFFFAOYSA-N 1 0 590.581 6.219 1 0 KKAFRO CC(=O)Nc1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+](C)C)cc2)CC3)c1 ZINC000014950580 561745680 /nfs/dbraw/zinc/74/56/80/561745680.db2.gz LSNYUMCSNUIESQ-UHFFFAOYSA-N 1 0 547.581 5.781 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3cccc4ccccc43)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950911 561745887 /nfs/dbraw/zinc/74/58/87/561745887.db2.gz VPPDBPSKDXBZTP-GDLZYMKVSA-N 1 0 565.702 7.642 1 0 KKAFRO Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2C[NH2+]CC2CC2)cc1 ZINC000014951275 561746028 /nfs/dbraw/zinc/74/60/28/561746028.db2.gz IMHADQMMGOEFNC-UHFFFAOYSA-N 1 0 585.590 5.789 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2c(c(OCCc3ccc(Cl)cc3Cl)c1)OCO2 ZINC000014953525 561746624 /nfs/dbraw/zinc/74/66/24/561746624.db2.gz IDTTVHUXXPGDJV-UHFFFAOYSA-N 1 0 528.436 5.385 1 0 KKAFRO CCOc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000014953531 561746652 /nfs/dbraw/zinc/74/66/52/561746652.db2.gz XOKXLVZTHDYGDO-UHFFFAOYSA-N 1 0 607.376 6.818 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000014956568 561747763 /nfs/dbraw/zinc/74/77/63/561747763.db2.gz VZZXGCGHBAJFIX-PSWAGMNNSA-N 1 0 555.723 6.763 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCSCC3)c3ccccc23)cc1 ZINC000014956576 561747814 /nfs/dbraw/zinc/74/78/14/561747814.db2.gz IWLBEANDLWYRTM-UHFFFAOYSA-N 1 0 543.737 6.703 1 0 KKAFRO CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCC[NH+](C)C)c2)n1 ZINC000014957311 561747892 /nfs/dbraw/zinc/74/78/92/561747892.db2.gz HHKGVQGXRGQBBA-UHFFFAOYSA-N 1 0 598.605 5.566 1 0 KKAFRO Cn1nnc(-c2ccc3nc(-c4ccc(C[NH+]5CCC(n6c7ccccc7[nH]c6=O)CC5)cc4)c(-c4ccccc4)nc3c2)n1 ZINC000014957951 561748111 /nfs/dbraw/zinc/74/81/11/561748111.db2.gz CTMFNTMZZCWIHH-UHFFFAOYSA-N 1 0 593.695 5.634 1 0 KKAFRO c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 ZINC000014958004 561748140 /nfs/dbraw/zinc/74/81/40/561748140.db2.gz HYOQFFBLOLYSDU-UHFFFAOYSA-N 1 0 512.621 5.852 1 0 KKAFRO Cc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000014958000 561748150 /nfs/dbraw/zinc/74/81/50/561748150.db2.gz HZDSUZFWBQPKML-UHFFFAOYSA-N 1 0 526.648 6.160 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)C)c1 ZINC000014961933 561748566 /nfs/dbraw/zinc/74/85/66/561748566.db2.gz SROVMDPTGATTQB-XOUBVTBXSA-N 1 0 591.752 5.747 1 0 KKAFRO CC[NH2+]Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963027 561748834 /nfs/dbraw/zinc/74/88/34/561748834.db2.gz WHDKIKHSLJFJEZ-UHFFFAOYSA-N 1 0 513.834 5.726 1 0 KKAFRO CC[NH+](CC)CCOc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl ZINC000014965299 561749442 /nfs/dbraw/zinc/74/94/42/561749442.db2.gz PPIHIEHMPATSBJ-UHFFFAOYSA-N 1 0 509.994 5.492 1 0 KKAFRO Cc1cccc(C)c1OC(=O)N(c1ccc2ccccc2c1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000014965427 561749598 /nfs/dbraw/zinc/74/95/98/561749598.db2.gz INKLMMQBCKFZMP-UHFFFAOYSA-N 1 0 558.686 7.079 1 0 KKAFRO COc1ccc(-n2nc(N(C)C(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969413 561750716 /nfs/dbraw/zinc/75/07/16/561750716.db2.gz WAGIMACQVHFHAK-MUUNZHRXSA-N 1 0 623.754 5.689 1 0 KKAFRO CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000014970602 561751114 /nfs/dbraw/zinc/75/11/14/561751114.db2.gz PROMAYDRALXCHH-JGCGQSQUSA-N 1 0 560.746 5.555 1 0 KKAFRO CCNC(=O)c1noc(-c2cc(-c3ccc(F)cc3)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974919 561752092 /nfs/dbraw/zinc/75/20/92/561752092.db2.gz CDCLIURFWZMJLI-UHFFFAOYSA-N 1 0 515.585 5.962 1 0 KKAFRO CCNC(=O)c1noc(-c2cc(CCc3ccc(F)cc3)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974901 561752138 /nfs/dbraw/zinc/75/21/38/561752138.db2.gz SCEJWTLUUJOIFO-UHFFFAOYSA-N 1 0 543.639 6.080 1 0 KKAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000015944156 561753492 /nfs/dbraw/zinc/75/34/92/561753492.db2.gz BDCQVJBDZRVSHT-XBHHGYJFSA-N 1 0 529.706 5.112 3 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545776 561755981 /nfs/dbraw/zinc/75/59/81/561755981.db2.gz TYXRLGQICZVXEA-VSGBNLITSA-N 1 0 558.719 6.227 3 0 KKAFRO CC[NH+](CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000017545719 561755993 /nfs/dbraw/zinc/75/59/93/561755993.db2.gz YOGNVOLQMDOGDV-QHCPKHFHSA-N 1 0 561.675 6.367 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545779 561756010 /nfs/dbraw/zinc/75/60/10/561756010.db2.gz KTJZESHDLXWFPF-MGONOCMRSA-N 1 0 572.746 6.473 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000017545797 561756015 /nfs/dbraw/zinc/75/60/15/561756015.db2.gz NLLGCKOCGGPZQL-NDEPHWFRSA-N 1 0 598.740 6.616 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545851 561756141 /nfs/dbraw/zinc/75/61/41/561756141.db2.gz WGQCVUUUJSQMIV-RDGATRHJSA-N 1 0 581.750 6.823 3 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545824 561756198 /nfs/dbraw/zinc/75/61/98/561756198.db2.gz WDCDEPYWKIKBOG-KEKPKEOLSA-N 1 0 632.798 6.491 3 0 KKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940060 561760845 /nfs/dbraw/zinc/76/08/45/561760845.db2.gz DIVHSMNAEPSLAL-ZLZBJJAKSA-N 1 0 512.163 6.007 1 0 KKAFRO O[C@@H](CNc1ccc(Cl)cc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941088 561761089 /nfs/dbraw/zinc/76/10/89/561761089.db2.gz UWCWXVUOPMHJCE-NDEPHWFRSA-N 1 0 514.060 5.621 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)CC1 ZINC000023357769 561761648 /nfs/dbraw/zinc/76/16/48/561761648.db2.gz JEPFUEYLCGNLKG-UHFFFAOYSA-N 1 0 599.954 6.345 1 0 KKAFRO CN1CC[NH+](Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CC1 ZINC000023358213 561761941 /nfs/dbraw/zinc/76/19/41/561761941.db2.gz KDZYVICPZRDOIO-UHFFFAOYSA-N 1 0 593.585 5.420 1 0 KKAFRO C[NH+](C)CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359219 561761953 /nfs/dbraw/zinc/76/19/53/561761953.db2.gz OJBGOJDIJOUKKY-UHFFFAOYSA-N 1 0 595.362 5.802 1 0 KKAFRO CN(CC[NH+]1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359307 561762165 /nfs/dbraw/zinc/76/21/65/561762165.db2.gz FNZSBRAEFDXJOS-UHFFFAOYSA-N 1 0 565.954 6.741 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCC[NH+](C)C)cc1)c1ccccc1 ZINC000025963619 561762897 /nfs/dbraw/zinc/76/28/97/561762897.db2.gz KILJJPMNQOHZIY-ZIADKAODSA-N 1 0 539.501 7.771 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(SC)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007946 561765775 /nfs/dbraw/zinc/76/57/75/561765775.db2.gz ZMQFSABOKCOPMT-UHFFFAOYSA-N 1 0 672.814 7.453 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000026016350 561766367 /nfs/dbraw/zinc/76/63/67/561766367.db2.gz JKXNOBBQTKNUPF-UHFFFAOYSA-N 1 0 551.756 7.408 1 0 KKAFRO CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCCC[NH+]4CCOCC4)ccc3N(C)[C@@H]12 ZINC000026182631 561772037 /nfs/dbraw/zinc/77/20/37/561772037.db2.gz HEEOMQHFUSVLEM-DGPALRBDSA-N 1 0 514.755 5.377 1 0 KKAFRO COc1ccc([C@@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189995 561773439 /nfs/dbraw/zinc/77/34/39/561773439.db2.gz GXEBXJCYTURXIM-JGCGQSQUSA-N 1 0 535.750 7.314 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000026253252 561774433 /nfs/dbraw/zinc/77/44/33/561774433.db2.gz HEPQIDBMXXAHTJ-LQJZCPKCSA-N 1 0 613.843 6.692 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026258006 561775154 /nfs/dbraw/zinc/77/51/54/561775154.db2.gz WHOCMELZNZWNHY-SANMLTNESA-N 1 0 539.720 5.434 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CCc1ccccc1 ZINC000026264657 561776084 /nfs/dbraw/zinc/77/60/84/561776084.db2.gz JIDSTTNPFKBEDP-CONSDPRKSA-N 1 0 571.762 5.437 1 0 KKAFRO COc1ccc([C@H](CCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268303 561776621 /nfs/dbraw/zinc/77/66/21/561776621.db2.gz CJJFSFFAFAEWIN-PMERELPUSA-N 1 0 507.696 6.701 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000026267833 561776657 /nfs/dbraw/zinc/77/66/57/561776657.db2.gz BRNNVTNSNUZGHW-KYJUHHDHSA-N 1 0 557.735 5.395 1 0 KKAFRO COC(=O)[C@](CC[NH+](C(C)C)C(C)C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1Cl ZINC000026276314 561778352 /nfs/dbraw/zinc/77/83/52/561778352.db2.gz WPFPJNMQIXJMED-WJOKGBTCSA-N 1 0 533.197 7.144 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@@H]3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277865 561778608 /nfs/dbraw/zinc/77/86/08/561778608.db2.gz ADMOZSRFKYYPSU-WJOKGBTCSA-N 1 0 614.718 5.912 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(n2cnc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026290889 561780554 /nfs/dbraw/zinc/78/05/54/561780554.db2.gz UZKOIIVAUWWAMY-DEOSSOPVSA-N 1 0 535.519 6.926 1 0 KKAFRO CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000026291852 561780649 /nfs/dbraw/zinc/78/06/49/561780649.db2.gz ORPZVEATXOARKK-VPUSJEBWSA-N 1 0 522.649 5.030 1 0 KKAFRO CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000026291862 561780776 /nfs/dbraw/zinc/78/07/76/561780776.db2.gz ORPZVEATXOARKK-XNMGPUDCSA-N 1 0 522.649 5.030 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385686 561784252 /nfs/dbraw/zinc/78/42/52/561784252.db2.gz FYSKSIBASLMGNL-WNOXWKSXSA-N 1 0 674.694 7.534 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)/C=C/c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385826 561784375 /nfs/dbraw/zinc/78/43/75/561784375.db2.gz PKFGDFMCFUTNPF-YJUNHESCSA-N 1 0 501.479 5.743 1 0 KKAFRO C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389050 561785148 /nfs/dbraw/zinc/78/51/48/561785148.db2.gz OFSWQESEWGNADJ-KKECWDTKSA-N 1 0 616.611 5.112 1 0 KKAFRO NC([NH3+])c1ccc([C@@H](NS(=O)(=O)c2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390775 561785667 /nfs/dbraw/zinc/78/56/67/561785667.db2.gz NCERBHOPMWPMBI-PMERELPUSA-N 1 0 573.611 6.084 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026393304 561786248 /nfs/dbraw/zinc/78/62/48/561786248.db2.gz YEJHEMWKCQGGRY-VLSLJKOQSA-N 1 0 725.783 6.564 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc5c(c4)OCO5)n(Cc4ccc5c(c4)OCO5)c3c2)C1C(=O)OC ZINC000026397720 561787519 /nfs/dbraw/zinc/78/75/19/561787519.db2.gz QCCKAXCZOSFYDZ-UFNKWHAYSA-N 1 0 595.608 5.630 1 0 KKAFRO CC[NH+](CC)CCOc1c(I)cc(C(=O)c2coc3ccccc23)cc1I ZINC000026398553 561787758 /nfs/dbraw/zinc/78/77/58/561787758.db2.gz AUYKGXBIQSKDMK-UHFFFAOYSA-N 1 0 589.211 5.594 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC[NH+](C)C)C(C)C ZINC000026403346 561788854 /nfs/dbraw/zinc/78/88/54/561788854.db2.gz AYLQFSBXZTZHLQ-SMWBHMEJSA-N 1 0 711.956 5.016 1 0 KKAFRO Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026403894 561789216 /nfs/dbraw/zinc/78/92/16/561789216.db2.gz PWQSGDXLYIZACP-RUZDIDTESA-N 1 0 512.654 5.321 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026477790 561791293 /nfs/dbraw/zinc/79/12/93/561791293.db2.gz SMZQSHCOJPJYFJ-NIKJNYCLSA-N 1 0 648.656 5.281 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026481118 561791771 /nfs/dbraw/zinc/79/17/71/561791771.db2.gz GGGPQJWPMTWRQL-NIKJNYCLSA-N 1 0 648.656 5.281 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026481145 561791772 /nfs/dbraw/zinc/79/17/72/561791772.db2.gz GGGPQJWPMTWRQL-QNOVMCAUSA-N 1 0 648.656 5.281 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488785 561792912 /nfs/dbraw/zinc/79/29/12/561792912.db2.gz PXTMWYMYHYLOSF-OYZFAQQFSA-N 1 0 607.512 5.798 1 0 KKAFRO CC[C@H]([NH2+]CCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026491362 561793382 /nfs/dbraw/zinc/79/33/82/561793382.db2.gz NODHTDVWAVGANT-QFIPXVFZSA-N 1 0 506.532 5.554 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026493382 561793780 /nfs/dbraw/zinc/79/37/80/561793780.db2.gz GYQOSKXMVZEOOR-BSSRNLCFSA-N 1 0 573.067 5.145 1 0 KKAFRO COCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000026493619 561793883 /nfs/dbraw/zinc/79/38/83/561793883.db2.gz NTTUYAKUHPPEFP-IGYBLTPGSA-N 1 0 606.855 7.608 1 0 KKAFRO CCCN(C(=O)N(C)Cc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497187 561794602 /nfs/dbraw/zinc/79/46/02/561794602.db2.gz KAPOEWFIQGCQKJ-WJOKGBTCSA-N 1 0 590.834 5.909 1 0 KKAFRO CCCN(C(=O)OCc1cccc(C)c1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026504060 561796235 /nfs/dbraw/zinc/79/62/35/561796235.db2.gz JVWVDAKGTFBARH-WJOKGBTCSA-N 1 0 591.818 6.303 1 0 KKAFRO CCCN(C(=O)N[C@H](C)c1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026505355 561796417 /nfs/dbraw/zinc/79/64/17/561796417.db2.gz ULYSBKOLJAVXSU-GRKNLSHJSA-N 1 0 590.834 6.128 1 0 KKAFRO CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)CC2)C1=O ZINC000026505485 561796613 /nfs/dbraw/zinc/79/66/13/561796613.db2.gz BXGTWCLBVXIHEG-UHFFFAOYSA-N 1 0 624.626 5.434 1 0 KKAFRO COc1ccc([C@H](C[NH+](C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CCCCC2)cc1 ZINC000026569696 561797769 /nfs/dbraw/zinc/79/77/69/561797769.db2.gz KQXQFCZOBFPZGF-HGAPGEDASA-N 1 0 538.773 6.232 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@@H]5CC[C@H]4C5)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026577272 561801301 /nfs/dbraw/zinc/80/13/01/561801301.db2.gz ISCMQUQGLIDHBV-JLDIWXBFSA-N 1 0 576.829 7.851 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cccnc2)c1 ZINC000026577360 561801318 /nfs/dbraw/zinc/80/13/18/561801318.db2.gz BUXFCBUNWSSKQW-WPCLDFDBSA-N 1 0 562.802 7.461 1 0 KKAFRO O=[S@@]1CC2(CC[NH+](CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026577752 561802343 /nfs/dbraw/zinc/80/23/43/561802343.db2.gz HIMMHTUVMHCSMF-CFCWSMIUSA-N 1 0 577.599 5.601 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000026578542 561803526 /nfs/dbraw/zinc/80/35/26/561803526.db2.gz UNJRWDQWFXSFPO-LVKBLGTMSA-N 1 0 641.686 7.096 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 ZINC000026579420 561804670 /nfs/dbraw/zinc/80/46/70/561804670.db2.gz CSYLEHSOUHZAFC-IJENORETSA-N 1 0 571.570 6.753 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(-c2ccccc2)c1)S(=O)(=O)c1ccccc1 ZINC000026580026 561805337 /nfs/dbraw/zinc/80/53/37/561805337.db2.gz GFYFUKZWQWQUTL-XIFFEERXSA-N 1 0 538.757 7.028 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(-c2ccccc2)c1)S(=O)(=O)c1ccccc1 ZINC000026580025 561805374 /nfs/dbraw/zinc/80/53/74/561805374.db2.gz GFYFUKZWQWQUTL-MGBGTMOVSA-N 1 0 538.757 7.028 1 0 KKAFRO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCC[NH+](C)C)cc(C)nc34)c2Cl)cc1 ZINC000026640766 561806634 /nfs/dbraw/zinc/80/66/34/561806634.db2.gz YUMSULLHKSIRDO-LFIBNONCSA-N 1 0 677.633 5.555 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[NH+](CC)CC)C1 ZINC000026652354 561808618 /nfs/dbraw/zinc/80/86/18/561808618.db2.gz CELTZHHYEWEYBB-YTTGMZPUSA-N 1 0 606.856 6.191 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(C)(=O)=O)cc2ccccc21 ZINC000026659838 561810146 /nfs/dbraw/zinc/81/01/46/561810146.db2.gz ZJEFRQVWWPNTJA-MOADPPEFSA-N 1 0 685.739 7.413 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3CCC(CC[NH+]4CCCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026662120 561810446 /nfs/dbraw/zinc/81/04/46/561810446.db2.gz MFHMBFSCZDHKQA-UHFFFAOYSA-N 1 0 618.581 7.881 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000026664500 561810907 /nfs/dbraw/zinc/81/09/07/561810907.db2.gz SXIHVUMXYLXZAL-CBWMPJGPSA-N 1 0 642.092 8.663 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc2ccccc21 ZINC000026668998 561811863 /nfs/dbraw/zinc/81/18/63/561811863.db2.gz BNRSRJKHXKYDQR-YPYYPIDUSA-N 1 0 675.644 9.028 1 0 KKAFRO COc1ccc(COc2ccc(-c3cc(/C=C4/C[NH+]5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026674223 561813341 /nfs/dbraw/zinc/81/33/41/561813341.db2.gz OXLWKCOVWCVMRM-PKAZHMFMSA-N 1 0 538.644 6.626 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674083 561813369 /nfs/dbraw/zinc/81/33/69/561813369.db2.gz SBMCXVUSNRZQAG-FAIXQHPJSA-N 1 0 676.814 6.472 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675461 561813860 /nfs/dbraw/zinc/81/38/60/561813860.db2.gz RGULRCINPFBAJQ-UHFFFAOYSA-N 1 0 634.265 7.926 1 0 KKAFRO Cc1c2cc(Cl)cc(Cl)c2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000026716665 561814219 /nfs/dbraw/zinc/81/42/19/561814219.db2.gz HAAPUDFQHBYQJE-UHFFFAOYSA-N 1 0 507.468 5.275 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729412 561816522 /nfs/dbraw/zinc/81/65/22/561816522.db2.gz BXJRBGNXZAKXLL-JGVSFPECSA-N 1 0 517.629 5.138 1 0 KKAFRO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745603 561818746 /nfs/dbraw/zinc/81/87/46/561818746.db2.gz ZVWDWHLXLHRYDF-FQLXRVMXSA-O 1 0 585.688 5.255 1 0 KKAFRO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745612 561818752 /nfs/dbraw/zinc/81/87/52/561818752.db2.gz ZVWDWHLXLHRYDF-URLMMPGGSA-O 1 0 585.688 5.255 1 0 KKAFRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026749356 561819437 /nfs/dbraw/zinc/81/94/37/561819437.db2.gz WYIADIFVZIKBEK-YVCTVRCPSA-N 1 0 530.819 5.511 1 0 KKAFRO O=C(OCc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750542 561819628 /nfs/dbraw/zinc/81/96/28/561819628.db2.gz MWARYVUQVJIHTP-YXWIYCFASA-N 1 0 608.867 7.244 1 0 KKAFRO O=C([O-])Cc1cccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000026823124 561821460 /nfs/dbraw/zinc/82/14/60/561821460.db2.gz IMUDDPQNMKTPCR-AJQTZOPKSA-N 1 0 532.769 5.759 1 0 KKAFRO O=C([O-])CCc1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026823129 561821508 /nfs/dbraw/zinc/82/15/08/561821508.db2.gz YYLIUOFKQNBOEB-JHOUSYSJSA-N 1 0 546.796 6.149 1 0 KKAFRO Cn1c2ccc(Cl)cc2c(CCC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000026830172 561822734 /nfs/dbraw/zinc/82/27/34/561822734.db2.gz XJLDDZIBCMCXGL-UHFFFAOYSA-N 1 0 512.525 6.809 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833533 561823549 /nfs/dbraw/zinc/82/35/49/561823549.db2.gz VVPDJLRPPVILJY-ABYGYWHVSA-N 1 0 556.106 5.597 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccc(-c3ccccc3)cc2)C1C(=O)OCC ZINC000026834913 561823967 /nfs/dbraw/zinc/82/39/67/561823967.db2.gz XNZCWVGSRAJBGB-IQKFOVTFSA-N 1 0 514.622 6.637 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCC[NH+]4CCCCC4)CC3)Cc3ccccc32)cc1 ZINC000026835813 561824411 /nfs/dbraw/zinc/82/44/11/561824411.db2.gz VSJPOGSOFYKAOZ-DIPNUNPCSA-N 1 0 608.758 6.288 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840433 561825540 /nfs/dbraw/zinc/82/55/40/561825540.db2.gz ALTXCOPWMUDTBZ-PSXMRANNSA-N 1 0 594.731 5.980 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840413 561825554 /nfs/dbraw/zinc/82/55/54/561825554.db2.gz COQRQYDTULKQEN-YYDRCNLMSA-N 1 0 576.162 5.132 1 0 KKAFRO CN1C(=O)N(C[C@H](CC[NH+]2CCC(c3ccccc3)CC2)c2cccc(Cl)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000026840593 561825694 /nfs/dbraw/zinc/82/56/94/561825694.db2.gz YOVCSQXIWUBABU-MFMCTBQISA-N 1 0 530.112 6.199 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCCCC2)c(C(C)C)c1 ZINC000026841329 561825859 /nfs/dbraw/zinc/82/58/59/561825859.db2.gz PKRNQRHOCABJKO-GDLZYMKVSA-N 1 0 568.828 6.023 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@@H]2CC[NH2+]C[C@H]2OCc2cccc3c2NCCC3)cc1 ZINC000027081282 561835135 /nfs/dbraw/zinc/83/51/35/561835135.db2.gz GRMUUYATJYSIHM-IGYGKHONSA-N 1 0 516.682 5.701 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026848340 561826902 /nfs/dbraw/zinc/82/69/02/561826902.db2.gz CWHDMLNZVZVXIE-HHHXNRCGSA-N 1 0 526.768 5.392 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000026848208 561826913 /nfs/dbraw/zinc/82/69/13/561826913.db2.gz IORNNFZUEYOWBO-SSEXGKCCSA-N 1 0 646.676 5.933 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848895 561827021 /nfs/dbraw/zinc/82/70/21/561827021.db2.gz RSRKUMMFMMRVHW-LJAQVGFWSA-N 1 0 601.525 5.552 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942333 561828132 /nfs/dbraw/zinc/82/81/32/561828132.db2.gz UCQRXBZYKFZLPN-GDLZYMKVSA-N 1 0 634.435 6.580 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026960635 561829642 /nfs/dbraw/zinc/82/96/42/561829642.db2.gz IKTCQXBLEMUSIF-GBXCKJPGSA-N 1 0 545.558 5.408 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)O2 ZINC000026964848 561830001 /nfs/dbraw/zinc/83/00/01/561830001.db2.gz GQGOLCRNYNRGTM-DKOZSQSISA-N 1 0 612.792 7.142 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026971463 561830433 /nfs/dbraw/zinc/83/04/33/561830433.db2.gz IKTCQXBLEMUSIF-YKSBVNFPSA-N 1 0 545.558 5.408 1 0 KKAFRO CCC[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987894 561832121 /nfs/dbraw/zinc/83/21/21/561832121.db2.gz SHQQFOCNCRFSKP-NDEPHWFRSA-N 1 0 665.839 5.918 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([N@H+]2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026992898 561832814 /nfs/dbraw/zinc/83/28/14/561832814.db2.gz LEFAKKLOKFYYJX-QFIPXVFZSA-N 1 0 545.509 5.109 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026996469 561833370 /nfs/dbraw/zinc/83/33/70/561833370.db2.gz GLPXKCDPFDUVQT-GOTSBHOMSA-N 1 0 559.536 5.670 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083336 561835566 /nfs/dbraw/zinc/83/55/66/561835566.db2.gz UUQGJUFZXHHWRQ-OIFRRMEBSA-N 1 0 543.777 6.272 1 0 KKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCc4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027083578 561835574 /nfs/dbraw/zinc/83/55/74/561835574.db2.gz DHBKAQUJRFTZOM-YBLJPNGSSA-N 1 0 504.630 5.446 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC4)OCCO3)cc2)cc1 ZINC000027095410 561837982 /nfs/dbraw/zinc/83/79/82/561837982.db2.gz TXOWFLDRXBQZQP-UHFFFAOYSA-N 1 0 658.739 5.763 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027100749 561838680 /nfs/dbraw/zinc/83/86/80/561838680.db2.gz CPGXIQUYLPQZQK-KAYWLYCHSA-N 1 0 632.823 5.830 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@](C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027106540 561840318 /nfs/dbraw/zinc/84/03/18/561840318.db2.gz VEFHCOLQNWCREK-MGBGTMOVSA-N 1 0 562.776 6.322 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@](C)(C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107751 561840628 /nfs/dbraw/zinc/84/06/28/561840628.db2.gz AYVFJDPITYUMTH-GVYVVWIYSA-N 1 0 576.803 6.710 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@](C)(C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107745 561840631 /nfs/dbraw/zinc/84/06/31/561840631.db2.gz AYVFJDPITYUMTH-MYVCOICNSA-N 1 0 576.803 6.710 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](C[C@@H](C)OCc2ccccc2)c2ccccc2)CC1 ZINC000027108483 561840688 /nfs/dbraw/zinc/84/06/88/561840688.db2.gz DXVIZQRYEHUENT-NSJVFKKDSA-N 1 0 528.737 7.279 1 0 KKAFRO COc1cc(NC(=O)N[C@@H](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC ZINC000027180468 561841725 /nfs/dbraw/zinc/84/17/25/561841725.db2.gz OCFVRBOTVITVCK-QHCPKHFHSA-N 1 0 538.516 6.468 1 0 KKAFRO Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)[nH+]1 ZINC000027189081 561843155 /nfs/dbraw/zinc/84/31/55/561843155.db2.gz LDBQTNQSCCQVQN-UHFFFAOYSA-N 1 0 551.735 6.751 1 0 KKAFRO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](Cc1ccccc1)CC2 ZINC000027083200 561835650 /nfs/dbraw/zinc/83/56/50/561835650.db2.gz JQIJNYFNVGXAFQ-WQHHGGELSA-N 1 0 671.882 5.497 1 0 KKAFRO O=C(NCC1CCCCC1)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027210061 561846913 /nfs/dbraw/zinc/84/69/13/561846913.db2.gz JQAMPRHNZFBEDN-UHFFFAOYSA-N 1 0 588.236 7.269 1 0 KKAFRO CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027330658 561854914 /nfs/dbraw/zinc/85/49/14/561854914.db2.gz OJWVDKCOGMRFNT-UHFFFAOYSA-N 1 0 678.853 7.074 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027410772 561856332 /nfs/dbraw/zinc/85/63/32/561856332.db2.gz AUBQUXYCNPBQLF-PNANJVLTSA-N 1 0 707.916 5.782 1 0 KKAFRO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027428612 561858934 /nfs/dbraw/zinc/85/89/34/561858934.db2.gz KHBBXDUMTOKHAJ-WJOKGBTCSA-N 1 0 546.633 7.713 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433178 561859767 /nfs/dbraw/zinc/85/97/67/561859767.db2.gz NVDGAAUKTHPFSV-GDLZYMKVSA-N 1 0 558.785 5.979 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000027439025 561860616 /nfs/dbraw/zinc/86/06/16/561860616.db2.gz KVDRGPNXKCVXGD-LJAQVGFWSA-N 1 0 591.640 7.228 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441583 561860828 /nfs/dbraw/zinc/86/08/28/561860828.db2.gz OMLNPCUJLGBVNZ-DEOSSOPVSA-N 1 0 585.589 5.803 1 0 KKAFRO CC(C)C1CC[NH+](C2CCN([C@@H](CN(C)C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000027517356 561861055 /nfs/dbraw/zinc/86/10/55/561861055.db2.gz MGGLLSWGBUFIRZ-LJAQVGFWSA-N 1 0 666.578 8.606 1 0 KKAFRO CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000027517328 561861093 /nfs/dbraw/zinc/86/10/93/561861093.db2.gz CBPSLOOFWLIHIO-GDLZYMKVSA-N 1 0 608.671 6.768 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000027517431 561861179 /nfs/dbraw/zinc/86/11/79/561861179.db2.gz LPFASJPXYLLRNZ-ZVRVMHGCSA-N 1 0 531.656 5.790 1 0 KKAFRO CCOc1ccccc1-c1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000027517419 561861194 /nfs/dbraw/zinc/86/11/94/561861194.db2.gz RBJXGXOXVKHFAX-CCWLOGDZSA-N 1 0 561.682 5.880 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)no1 ZINC000027518101 561861828 /nfs/dbraw/zinc/86/18/28/561861828.db2.gz SMVAMPPQTYYNLU-HXUWFJFHSA-N 1 0 535.044 5.925 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518266 561862049 /nfs/dbraw/zinc/86/20/49/561862049.db2.gz CCMNSLGQHAOUGI-GOSISDBHSA-N 1 0 538.073 5.480 1 0 KKAFRO COc1cccc([C@@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000027518301 561862155 /nfs/dbraw/zinc/86/21/55/561862155.db2.gz SBRDTMDWMOJLCU-RUZDIDTESA-N 1 0 601.632 6.092 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000027518349 561862157 /nfs/dbraw/zinc/86/21/57/561862157.db2.gz LDQMDDWSQPMVAZ-GMYSVHFESA-N 1 0 533.628 5.607 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(C)c2)cc1 ZINC000027518776 561862630 /nfs/dbraw/zinc/86/26/30/561862630.db2.gz JVEIHEXJFKDWES-NYGBNSOISA-N 1 0 531.656 5.790 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)C1CCC(C2CCCCC2)CC1 ZINC000027518781 561862635 /nfs/dbraw/zinc/86/26/35/561862635.db2.gz JNGAIJYLBCTUCM-BPXRAXDBSA-N 1 0 529.725 5.887 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000027519323 561863020 /nfs/dbraw/zinc/86/30/20/561863020.db2.gz VMQFABUDELJKAB-ONTJWLJASA-N 1 0 531.656 5.410 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027519264 561863028 /nfs/dbraw/zinc/86/30/28/561863028.db2.gz CBQPDDPXLVPCIM-VWLOTQADSA-N 1 0 571.606 6.083 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000027519320 561863031 /nfs/dbraw/zinc/86/30/31/561863031.db2.gz VMQFABUDELJKAB-GJOGQTSMSA-N 1 0 531.656 5.410 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027519261 561863058 /nfs/dbraw/zinc/86/30/58/561863058.db2.gz CBQPDDPXLVPCIM-RUZDIDTESA-N 1 0 571.606 6.083 1 0 KKAFRO CCOC(=O)CCC[NH+]1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c2cccc3C)CC1 ZINC000027526949 561866546 /nfs/dbraw/zinc/86/65/46/561866546.db2.gz UEGKOUFGXLPURW-UHFFFAOYSA-N 1 0 512.094 6.413 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027527133 561866675 /nfs/dbraw/zinc/86/66/75/561866675.db2.gz DXKDPMJFFBCJSB-UMSFTDKQSA-N 1 0 658.790 6.894 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527132 561866695 /nfs/dbraw/zinc/86/66/95/561866695.db2.gz DXKDPMJFFBCJSB-UUWRZZSWSA-N 1 0 658.790 6.894 1 0 KKAFRO Cc1cc(I)cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546623 561866937 /nfs/dbraw/zinc/86/69/37/561866937.db2.gz LLUKLOGVWWPZKG-NSOVKSMOSA-N 1 0 523.458 6.411 1 0 KKAFRO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027551384 561868005 /nfs/dbraw/zinc/86/80/05/561868005.db2.gz FBICEOFMWBPEIA-UHFFFAOYSA-N 1 0 533.594 5.479 1 0 KKAFRO CCCN(C(=O)[C@@H](C)C1(OC(=O)CC)CC[NH+](CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555077 561869325 /nfs/dbraw/zinc/86/93/25/561869325.db2.gz YBHLXOUBLDFNAH-JOCHJYFZSA-N 1 0 515.094 5.758 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)N1CCN(c2cccc(-c3ccccc3)c2)C1=O ZINC000027555530 561869446 /nfs/dbraw/zinc/86/94/46/561869446.db2.gz QWRFKRBFZKDKOP-YMHHMKOLSA-N 1 0 623.798 6.205 1 0 KKAFRO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626691 561873181 /nfs/dbraw/zinc/87/31/81/561873181.db2.gz VWSDZLWAIZCEJG-VLZNPVHKSA-N 1 0 534.744 7.182 1 0 KKAFRO CN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnc(N3CC[NH2+]CC3)nc2)c(=O)nc1SCc1ccc(F)cc1 ZINC000027632462 561873943 /nfs/dbraw/zinc/87/39/43/561873943.db2.gz WWNRZILQEZDLPA-UHFFFAOYSA-N 1 0 684.241 5.444 1 0 KKAFRO O=C(NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)/C(=C/c1cccnc1)c1ccccc1 ZINC000027657107 561877932 /nfs/dbraw/zinc/87/79/32/561877932.db2.gz FYMPKXWLJVLLBH-MUGXBBEHSA-N 1 0 530.716 5.926 1 0 KKAFRO c1ccc2cc(CNc3nc(NCc4ccc5ccccc5c4)[nH+]c(NCc4ccc5ccccc5c4)n3)ccc2c1 ZINC000027657594 561878001 /nfs/dbraw/zinc/87/80/01/561878001.db2.gz RQNIDKOWDMBUSX-UHFFFAOYSA-N 1 0 546.678 8.168 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(N(C)C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658004 561878298 /nfs/dbraw/zinc/87/82/98/561878298.db2.gz FRNBWSMMIQVICC-UHFFFAOYSA-N 1 0 629.761 6.423 1 0 KKAFRO COc1cc(CN(CCC[NH3+])Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000027710252 561879546 /nfs/dbraw/zinc/87/95/46/561879546.db2.gz FZEWLTOORZIPAE-UHFFFAOYSA-N 1 0 526.677 6.213 1 0 KKAFRO [NH3+]CCCN(Cc1ccc(-c2ccc(Br)cc2)o1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000027713274 561879986 /nfs/dbraw/zinc/87/99/86/561879986.db2.gz FWILLHCPMIPKKG-UHFFFAOYSA-N 1 0 544.287 7.083 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCCCCOCCCCCc2ccccc2)C1 ZINC000027740407 561882502 /nfs/dbraw/zinc/88/25/02/561882502.db2.gz XWVOBBUZTLULSD-XDFJSJKPSA-N 1 0 569.763 5.848 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 ZINC000027743300 561882787 /nfs/dbraw/zinc/88/27/87/561882787.db2.gz HKGFIDFQQGCMRN-KAODMTDESA-N 1 0 589.753 6.303 1 0 KKAFRO Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(CN(Cc3cccc(C)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027766779 561884633 /nfs/dbraw/zinc/88/46/33/561884633.db2.gz OSRQPLFCVZMIIE-UHFFFAOYSA-N 1 0 604.761 6.894 1 0 KKAFRO CC(=O)c1ccc2c(c1)N(CCC[NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000027865875 561887734 /nfs/dbraw/zinc/88/77/34/561887734.db2.gz NRNSJWMFGWBCLB-UHFFFAOYSA-N 1 0 512.679 5.311 1 0 KKAFRO CCc1nn(CCCC[NH+]2CCOCC2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027841993 561885090 /nfs/dbraw/zinc/88/50/90/561885090.db2.gz KWCUYENIXYLZDG-UHFFFAOYSA-N 1 0 506.131 5.964 1 0 KKAFRO Cc1ccc(C(=O)N(C)Cc2ccccn2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027847609 561885670 /nfs/dbraw/zinc/88/56/70/561885670.db2.gz MYUPPLLYMBAZIG-BLGMLHPASA-N 1 0 667.895 5.160 1 0 KKAFRO O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027882683 561889185 /nfs/dbraw/zinc/88/91/85/561889185.db2.gz KMGAJUYDQHGRHG-VWLOTQADSA-N 1 0 648.471 8.274 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887140 561889603 /nfs/dbraw/zinc/88/96/03/561889603.db2.gz WUQDKLRKJCHPFS-SSEXGKCCSA-N 1 0 525.064 5.915 1 0 KKAFRO CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)CCCC[n+]3ccccc3)cc2)cc1 ZINC000027989187 561892790 /nfs/dbraw/zinc/89/27/90/561892790.db2.gz RNQVEKZUJOXXRR-UHFFFAOYSA-O 1 0 556.664 5.071 1 0 KKAFRO CON[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986281 561892350 /nfs/dbraw/zinc/89/23/50/561892350.db2.gz IFPPRPWFEFODEU-WNJJXGMVSA-N 1 0 679.529 8.225 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027987962 561892531 /nfs/dbraw/zinc/89/25/31/561892531.db2.gz KQGAWUKPLGFTBA-QNGWXLTQSA-N 1 0 696.672 6.391 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994353 561893603 /nfs/dbraw/zinc/89/36/03/561893603.db2.gz VBINAWKKNMDVFQ-UMSFTDKQSA-N 1 0 669.606 5.163 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(C)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994754 561893663 /nfs/dbraw/zinc/89/36/63/561893663.db2.gz CZLBLDYEFUNFIL-UMSFTDKQSA-N 1 0 641.592 6.358 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997416 561894024 /nfs/dbraw/zinc/89/40/24/561894024.db2.gz UCYOKEIGNWKFBW-HKBQPEDESA-N 1 0 616.542 5.113 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO2)CC1 ZINC000027997124 561894030 /nfs/dbraw/zinc/89/40/30/561894030.db2.gz LNFHJDDNQHDAKK-PMERELPUSA-N 1 0 688.496 7.266 1 0 KKAFRO CCn1nc(Cc2ccc(Cl)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017205 561897586 /nfs/dbraw/zinc/89/75/86/561897586.db2.gz RTBAIVWNBSQJJO-HMQVCXRFSA-N 1 0 621.241 7.215 1 0 KKAFRO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008043 561895928 /nfs/dbraw/zinc/89/59/28/561895928.db2.gz DMUHIPIQOMSLKE-TUTZNEALSA-N 1 0 576.757 5.646 1 0 KKAFRO CC(=O)NCC1(c2ccccc2)CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028008939 561896087 /nfs/dbraw/zinc/89/60/87/561896087.db2.gz BMDLZZBNFZPPNM-HHHXNRCGSA-N 1 0 566.573 6.409 1 0 KKAFRO O=C(CCC[NH+]1CCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028020868 561898441 /nfs/dbraw/zinc/89/84/41/561898441.db2.gz IJFWWOVMXWFJDI-VWLOTQADSA-N 1 0 567.574 6.311 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028021739 561898550 /nfs/dbraw/zinc/89/85/50/561898550.db2.gz IPZYEKFVICMSCL-JGCGQSQUSA-N 1 0 564.748 6.593 1 0 KKAFRO COc1ccc(OCCCC[N@H+](CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022588 561898866 /nfs/dbraw/zinc/89/88/66/561898866.db2.gz GYDKIIUOVCRNTP-UUWRZZSWSA-N 1 0 608.801 6.991 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028023136 561898967 /nfs/dbraw/zinc/89/89/67/561898967.db2.gz PGAOHGRDXNRKPM-UHFFFAOYSA-N 1 0 548.705 5.610 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000028086595 561899206 /nfs/dbraw/zinc/89/92/06/561899206.db2.gz CAQXAJWFVJDJDE-ZEQKJWHPSA-N 1 0 534.595 5.387 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087974 561899402 /nfs/dbraw/zinc/89/94/02/561899402.db2.gz ICFBKVPIXDVRSY-VZQWUQQYSA-N 1 0 630.849 6.959 1 0 KKAFRO CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCC[NH+]1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000028087275 561899443 /nfs/dbraw/zinc/89/94/43/561899443.db2.gz JWFREIDKTUIMEC-PSXMRANNSA-N 1 0 649.854 6.288 1 0 KKAFRO COc1c(C)cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1C ZINC000028089722 561899643 /nfs/dbraw/zinc/89/96/43/561899643.db2.gz CDLIUHVXEYVLGX-XIFFEERXSA-N 1 0 608.610 6.312 1 0 KKAFRO CCN(C[C@@H](CC[NH+]1CCC(OC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028090721 561899823 /nfs/dbraw/zinc/89/98/23/561899823.db2.gz RRMBPRCSYFQDBN-XMMPIXPASA-N 1 0 573.586 7.245 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000028090064 561899837 /nfs/dbraw/zinc/89/98/37/561899837.db2.gz LOCWHPYADPPCAK-SANMLTNESA-N 1 0 561.553 7.376 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028092094 561900133 /nfs/dbraw/zinc/90/01/33/561900133.db2.gz AYQPUUZHDGKDRB-MQMFKJKRSA-N 1 0 576.757 5.733 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099422 561901407 /nfs/dbraw/zinc/90/14/07/561901407.db2.gz FAZPCIDHXLZGET-KLTPPHAJSA-N 1 0 628.755 7.046 1 0 KKAFRO CC(=O)Nc1cccc(-c2ccc(C3(CNC(=O)Nc4cc(Cl)cc(Cl)c4)CC[NH+](C)CC3)cc2)c1 ZINC000028115848 561903782 /nfs/dbraw/zinc/90/37/82/561903782.db2.gz DQUWQGNVJJJULP-UHFFFAOYSA-N 1 0 525.480 6.404 1 0 KKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117222 561903939 /nfs/dbraw/zinc/90/39/39/561903939.db2.gz TVYIJPQJDGLEQL-QFIPXVFZSA-N 1 0 580.478 8.387 1 0 KKAFRO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCCCC1 ZINC000028120158 561904419 /nfs/dbraw/zinc/90/44/19/561904419.db2.gz KCVISAPNHWOHSP-UHFFFAOYSA-N 1 0 514.872 8.658 1 0 KKAFRO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128385 561905247 /nfs/dbraw/zinc/90/52/47/561905247.db2.gz JTXBXFTVOCSXTB-FIRIVFDPSA-N 1 0 574.169 6.304 1 0 KKAFRO CN(C)c1nc(NCC2CCC(C[NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028133369 561906170 /nfs/dbraw/zinc/90/61/70/561906170.db2.gz UGTJLUOFSLGNDT-UHFFFAOYSA-N 1 0 566.466 6.365 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135086 561906465 /nfs/dbraw/zinc/90/64/65/561906465.db2.gz AXAAKILJQSGHDI-CJFMBICVSA-N 1 0 513.469 5.121 1 0 KKAFRO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136306 561906553 /nfs/dbraw/zinc/90/65/53/561906553.db2.gz QWGSMTMVLWLWGB-RPWUZVMVSA-N 1 0 574.692 5.337 1 0 KKAFRO Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(CN2CCOCC2)c(Br)c1 ZINC000028221415 561907404 /nfs/dbraw/zinc/90/74/04/561907404.db2.gz VNALPDDPCFCZOG-UHFFFAOYSA-N 1 0 607.614 6.934 1 0 KKAFRO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238080 561910134 /nfs/dbraw/zinc/91/01/34/561910134.db2.gz NVBGERHFKDMLCS-UHFFFAOYSA-N 1 0 680.777 7.197 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccnc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028331284 561912821 /nfs/dbraw/zinc/91/28/21/561912821.db2.gz HHQHIMRAAROGLI-NFQMXDRXSA-N 1 0 512.481 5.726 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OCc1ccccc1)C(C)C ZINC000028341552 561914119 /nfs/dbraw/zinc/91/41/19/561914119.db2.gz YIRPXDXDTLSTJD-WJOKGBTCSA-N 1 0 543.708 5.737 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)[C@@H](C)c1ccccc1)C(C)C ZINC000028341573 561914261 /nfs/dbraw/zinc/91/42/61/561914261.db2.gz RJFXQJUFBZNFJI-IEWVHIKDSA-N 1 0 541.736 5.730 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(-c3cccc(C(=[NH2+])N(C)C)c3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028232118 561909194 /nfs/dbraw/zinc/90/91/94/561909194.db2.gz ZBLBIORZISBRNM-UHFFFAOYSA-N 1 0 508.025 6.794 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)N[C@@H]3CCCC[C@H]3C(=O)NCc3ccccc3)c2c1 ZINC000028352499 561915679 /nfs/dbraw/zinc/91/56/79/561915679.db2.gz BILPYABKAWIYLJ-OROMBRFGSA-N 1 0 538.717 5.503 1 0 KKAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028358249 561916465 /nfs/dbraw/zinc/91/64/65/561916465.db2.gz AZOHCTJFFUDNKX-ZNWAYWQSSA-N 1 0 505.747 5.670 1 0 KKAFRO CN1CC[NH+](CCC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3O)cc2)CC1 ZINC000028382463 561920358 /nfs/dbraw/zinc/92/03/58/561920358.db2.gz LIERLSCNSFKFOL-UHFFFAOYSA-N 1 0 617.093 6.300 1 0 KKAFRO CC(C)(C)c1cc(NC[C@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366389 561917716 /nfs/dbraw/zinc/91/77/16/561917716.db2.gz MJMXIIYEHCGCCI-HKBQPEDESA-N 1 0 607.830 7.268 1 0 KKAFRO NC(=[NH2+])c1ccc(Oc2ccc(N(Cc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NC3CCCCC3)C(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000028379541 561919774 /nfs/dbraw/zinc/91/97/74/561919774.db2.gz RHGCRRGHDOTVOW-UHFFFAOYSA-N 1 0 686.773 5.391 1 0 KKAFRO COc1cc2c(cc1OCCCCOc1ccc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028385998 561921015 /nfs/dbraw/zinc/92/10/15/561921015.db2.gz RBBHZQKRPMRMMP-SANMLTNESA-N 1 0 608.743 5.549 1 0 KKAFRO CC1CC[NH+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028389418 561921890 /nfs/dbraw/zinc/92/18/90/561921890.db2.gz YYTJWPSQJHSHBY-UHFFFAOYSA-N 1 0 553.046 6.746 1 0 KKAFRO O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1cccc(C(F)(F)F)c1 ZINC000028397486 561923311 /nfs/dbraw/zinc/92/33/11/561923311.db2.gz BYZZKBNTWMWAFT-UHFFFAOYSA-N 1 0 509.164 5.532 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000028457811 561924264 /nfs/dbraw/zinc/92/42/64/561924264.db2.gz LFCSWUQAGFFCHV-IEXUNWISSA-N 1 0 672.078 7.183 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028458641 561924532 /nfs/dbraw/zinc/92/45/32/561924532.db2.gz RBKDACLJKAMLFN-FQNSBSDOSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460342 561925047 /nfs/dbraw/zinc/92/50/47/561925047.db2.gz JPRKCJZGKZFHOW-PCOXHIAESA-N 1 0 609.167 6.235 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460788 561925163 /nfs/dbraw/zinc/92/51/63/561925163.db2.gz HQLXQTOXHLBXLG-FQNSBSDOSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(Cl)cc3)c2=O)cc1 ZINC000028464919 561926198 /nfs/dbraw/zinc/92/61/98/561926198.db2.gz MKRFKHBVYPNEHM-FXAGJUNHSA-N 1 0 623.606 6.140 1 0 KKAFRO CC1([N@@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000028470613 561926872 /nfs/dbraw/zinc/92/68/72/561926872.db2.gz UXBPEIIOVGWXKR-QFIPXVFZSA-N 1 0 525.524 6.038 1 0 KKAFRO CC1([N@@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000028470618 561926890 /nfs/dbraw/zinc/92/68/90/561926890.db2.gz UXBPEIIOVGWXKR-JOCHJYFZSA-N 1 0 525.524 6.038 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028527839 561932596 /nfs/dbraw/zinc/93/25/96/561932596.db2.gz ASZPWIAQUZJALQ-SSEXGKCCSA-N 1 0 553.168 5.821 1 0 KKAFRO CC(C)(C)c1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028476786 561928290 /nfs/dbraw/zinc/92/82/90/561928290.db2.gz SKFPWOHYDHHLKH-PMERELPUSA-N 1 0 518.790 7.095 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000028523375 561930013 /nfs/dbraw/zinc/93/00/13/561930013.db2.gz UQRSDLGGRUPJME-HKBQPEDESA-N 1 0 587.742 6.207 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cc[n+](C)cc3)cc2)[C@H]1O ZINC000028526302 561932011 /nfs/dbraw/zinc/93/20/11/561932011.db2.gz RYFDSLTWBOUPLH-ROJLCIKYSA-N 1 0 565.800 5.803 1 0 KKAFRO O=S(=O)(c1ccc(Br)s1)n1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028526553 561932177 /nfs/dbraw/zinc/93/21/77/561932177.db2.gz ZHYYDISGIDQJTN-GOSISDBHSA-N 1 0 501.471 5.692 1 0 KKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000028526924 561932256 /nfs/dbraw/zinc/93/22/56/561932256.db2.gz LZATWBMIJPRFJJ-XBXARRHUSA-N 1 0 538.906 8.049 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000028529024 561933535 /nfs/dbraw/zinc/93/35/35/561933535.db2.gz ADHWTRBZUSJYJU-BHVANESWSA-N 1 0 637.846 6.420 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000028529030 561933557 /nfs/dbraw/zinc/93/35/57/561933557.db2.gz QKNIXSWGUKMPBD-MGBGTMOVSA-N 1 0 617.856 6.152 1 0 KKAFRO CC(C)(C)[NH+]1CCC(Oc2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1 ZINC000028564776 561935735 /nfs/dbraw/zinc/93/57/35/561935735.db2.gz QDXFCQVYWUZMOP-UHFFFAOYSA-N 1 0 524.558 6.856 1 0 KKAFRO COc1c(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2[C@H](C)C[NH2+]CCc2ccccc2)cc1C ZINC000028566681 561936480 /nfs/dbraw/zinc/93/64/80/561936480.db2.gz CXPNKNXEHYPKJI-SSEXGKCCSA-N 1 0 609.899 8.814 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028528480 561932998 /nfs/dbraw/zinc/93/29/98/561932998.db2.gz CVPHPQWQOOHBMW-SSEXGKCCSA-N 1 0 586.720 6.187 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000028528375 561933004 /nfs/dbraw/zinc/93/30/04/561933004.db2.gz VZNCVMMCTJTAFE-WJOKGBTCSA-N 1 0 532.750 5.476 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028572645 561940328 /nfs/dbraw/zinc/94/03/28/561940328.db2.gz QONWRVHIXNMRAN-JYFHCDHNSA-N 1 0 532.150 5.355 1 0 KKAFRO C[NH2+]CCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000028572729 561940389 /nfs/dbraw/zinc/94/03/89/561940389.db2.gz KSSPEYAJLNXWHK-UHFFFAOYSA-N 1 0 560.743 5.123 1 0 KKAFRO COc1ccc(C(c2ccc(OC)cc2)=C2C[C@@H](c3ccc(OCC[NH+]4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604463 561940714 /nfs/dbraw/zinc/94/07/14/561940714.db2.gz QLVVURMRPGJPEO-BHVANESWSA-N 1 0 591.748 8.060 1 0 KKAFRO CO[C@H](CCC1=CCCC=C1)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000028636197 561941271 /nfs/dbraw/zinc/94/12/71/561941271.db2.gz RLRJPAMIDWEUSL-LXANVCGNSA-N 1 0 511.706 6.982 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 ZINC000028636652 561941411 /nfs/dbraw/zinc/94/14/11/561941411.db2.gz ZGAHJKRUYXIYKQ-JGCGQSQUSA-N 1 0 598.755 5.887 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000028637565 561941739 /nfs/dbraw/zinc/94/17/39/561941739.db2.gz UTELNNIXGGIXPC-XZLGBSMGSA-N 1 0 522.689 5.014 1 0 KKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028644868 561944435 /nfs/dbraw/zinc/94/44/35/561944435.db2.gz WOFRNMWURPZWBM-ZVCDXRBXSA-N 1 0 611.808 6.652 1 0 KKAFRO Fc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028646177 561944695 /nfs/dbraw/zinc/94/46/95/561944695.db2.gz KNBPAEKLDLQFCP-BHVANESWSA-N 1 0 550.766 6.483 1 0 KKAFRO CN(C)C(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710033 561950854 /nfs/dbraw/zinc/95/08/54/561950854.db2.gz KZGJWJJJDKPFMH-UHFFFAOYSA-N 1 0 510.634 6.571 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710134 561951003 /nfs/dbraw/zinc/95/10/03/561951003.db2.gz OCZOHPQRIJVMGG-UHFFFAOYSA-N 1 0 539.764 6.969 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNC(=O)C(C)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710126 561951007 /nfs/dbraw/zinc/95/10/07/561951007.db2.gz ZOASIUKCAYWMLK-UHFFFAOYSA-N 1 0 511.710 5.973 1 0 KKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000028710188 561951137 /nfs/dbraw/zinc/95/11/37/561951137.db2.gz MEPMSZIBYJDWKM-UHFFFAOYSA-N 1 0 521.721 6.316 1 0 KKAFRO O=CNc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702785 561947295 /nfs/dbraw/zinc/94/72/95/561947295.db2.gz QJPYGDWBEWYTTR-HSZRJFAPSA-N 1 0 598.613 6.419 1 0 KKAFRO CCC(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702787 561947311 /nfs/dbraw/zinc/94/73/11/561947311.db2.gz WROPXIZGCHYNFR-XMMPIXPASA-N 1 0 626.667 7.199 1 0 KKAFRO CNC(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702811 561947332 /nfs/dbraw/zinc/94/73/32/561947332.db2.gz LIXMBCYLTAANQS-QHCPKHFHSA-N 1 0 627.655 6.602 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702910 561947476 /nfs/dbraw/zinc/94/74/76/561947476.db2.gz AAMCCXZHVCUGJS-WQEODHJFSA-N 1 0 727.775 7.854 1 0 KKAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1C(F)(F)F ZINC000028702836 561947510 /nfs/dbraw/zinc/94/75/10/561947510.db2.gz FDDHJANHSBOLPP-UHFFFAOYSA-N 1 0 556.614 5.137 1 0 KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(N(CC[NH+]4CCCC4)C(=O)c4ccccc4)cc3)nnc2c1 ZINC000028702871 561947530 /nfs/dbraw/zinc/94/75/30/561947530.db2.gz BOTCEXZBULNTQA-UHFFFAOYSA-N 1 0 556.714 7.103 1 0 KKAFRO CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704096 561948242 /nfs/dbraw/zinc/94/82/42/561948242.db2.gz CBXVNXOAKIFVRY-DAORKYKSSA-N 1 0 546.674 6.669 1 0 KKAFRO CN1CC[NH+](CCCCOc2ccc3c(c2)NC(=O)Cc2c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc2-3)CC1 ZINC000028704153 561948413 /nfs/dbraw/zinc/94/84/13/561948413.db2.gz AGIBVBWPSRVVJL-UHFFFAOYSA-N 1 0 567.133 6.637 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cnccc5Cl)cc4)CC3)C2=O)c1 ZINC000028704514 561948718 /nfs/dbraw/zinc/94/87/18/561948718.db2.gz YRVMZOOQBWUHES-UHFFFAOYSA-N 1 0 585.079 6.553 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1 ZINC000028711703 561952300 /nfs/dbraw/zinc/95/23/00/561952300.db2.gz APGKRIOUNGEFML-SSEXGKCCSA-N 1 0 698.852 5.945 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Br)cc2s1 ZINC000028711700 561952324 /nfs/dbraw/zinc/95/23/24/561952324.db2.gz GXMJPZKEIQCJRX-SSEXGKCCSA-N 1 0 709.751 5.689 1 0 KKAFRO Cc1ccc2c(c1)N(c1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711874 561952418 /nfs/dbraw/zinc/95/24/18/561952418.db2.gz HZDXXQUJKUTOOT-SSEXGKCCSA-N 1 0 537.708 6.975 1 0 KKAFRO CC(C)[N@@H+]1CCC[C@H](Cn2c(=O)c3cc(Oc4ccc(F)cc4)ccc3nc2-c2ccc(OCCO)cc2F)C1 ZINC000028712172 561952807 /nfs/dbraw/zinc/95/28/07/561952807.db2.gz RAEJKTOPJXEBES-NRFANRHFSA-N 1 0 549.618 5.626 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000028714034 561954442 /nfs/dbraw/zinc/95/44/42/561954442.db2.gz NDHYNZNDURMYSZ-UHFFFAOYSA-N 1 0 570.137 5.359 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000028761319 561958100 /nfs/dbraw/zinc/95/81/00/561958100.db2.gz ZUFDUHYRGVUXON-FAFSYBDCSA-N 1 0 621.822 7.310 1 0 KKAFRO CC(=O)Nc1ccccc1Cn1c2ccccc2c2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000028763579 561958766 /nfs/dbraw/zinc/95/87/66/561958766.db2.gz MAWFZKLWUCKKMS-OGICNVKRSA-N 1 0 561.682 5.053 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028770561 561961253 /nfs/dbraw/zinc/96/12/53/561961253.db2.gz XESWSTANEUBVSE-SRWPCTQNSA-N 1 0 678.870 7.354 1 0 KKAFRO [NH3+]CCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028770557 561961286 /nfs/dbraw/zinc/96/12/86/561961286.db2.gz WGHFFRDPNFKXFB-NJMTUYGZSA-N 1 0 586.773 6.549 1 0 KKAFRO c1ccc(C(CCC[NH+]2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816218 561964075 /nfs/dbraw/zinc/96/40/75/561964075.db2.gz LCOHBFLNTLGXJE-MJPWBCPGSA-N 1 0 652.879 9.213 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816230 561964122 /nfs/dbraw/zinc/96/41/22/561964122.db2.gz VIBSDCROEKUITE-CXNSMIOJSA-N 1 0 666.906 9.604 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816490 561964205 /nfs/dbraw/zinc/96/42/05/561964205.db2.gz WKJIFFVPSGZRSA-WUFINQPMSA-N 1 0 574.187 5.581 1 0 KKAFRO C[C@@H]1C[C@@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816538 561964212 /nfs/dbraw/zinc/96/42/12/561964212.db2.gz XUGYKOAXOOAKME-VCPHKXHJSA-N 1 0 610.167 6.378 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cc(F)ccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816533 561964226 /nfs/dbraw/zinc/96/42/26/561964226.db2.gz GUPYEUJDVZGHHN-YWEHKCAJSA-N 1 0 596.140 5.990 1 0 KKAFRO C[C@@H]1C[N@@H+](C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816493 561964227 /nfs/dbraw/zinc/96/42/27/561964227.db2.gz FMMQURLBVRREQY-LFOKJVLGSA-N 1 0 574.187 6.100 1 0 KKAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817309 561964647 /nfs/dbraw/zinc/96/46/47/561964647.db2.gz BTSVYYFWIQTHSO-LBFZIJHGSA-N 1 0 739.848 5.906 1 0 KKAFRO Cc1ccc(N[C@@H](O)c2ccc(CN3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818954 561965511 /nfs/dbraw/zinc/96/55/11/561965511.db2.gz UIQVTQZGYNQWLN-LGGPFLRQSA-N 1 0 592.670 5.491 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000028821094 561966148 /nfs/dbraw/zinc/96/61/48/561966148.db2.gz ULBJIWJGABTABW-WOFUPGFCSA-N 1 0 702.856 5.663 1 0 KKAFRO COc1cc(-c2csc3c2c(N)ncc3C(=O)NCC[NH+]2CCCC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822577 561967322 /nfs/dbraw/zinc/96/73/22/561967322.db2.gz VCHBPSBTFPJNQZ-UHFFFAOYSA-N 1 0 568.703 5.124 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)Cc2ccccc2Cl)CC3)c1 ZINC000028823030 561967706 /nfs/dbraw/zinc/96/77/06/561967706.db2.gz WIPBQZCORQRCAE-XMMPIXPASA-N 1 0 541.139 6.410 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCC2CCOCC2)CN(C(=O)Cc2ccccc2C(F)(F)F)CC3)c1 ZINC000028823035 561967722 /nfs/dbraw/zinc/96/77/22/561967722.db2.gz QBZQELMSTKBNER-XMMPIXPASA-N 1 0 581.723 6.955 1 0 KKAFRO COc1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823437 561968078 /nfs/dbraw/zinc/96/80/78/561968078.db2.gz GPYSWJFQKMFJFS-UHFFFAOYSA-N 1 0 546.800 7.046 1 0 KKAFRO CC(C)C[C@H]([NH2+]CCN(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823903 561968574 /nfs/dbraw/zinc/96/85/74/561968574.db2.gz URXRYNAIWUJHTJ-MFMCTBQISA-N 1 0 620.641 5.253 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823928 561968703 /nfs/dbraw/zinc/96/87/03/561968703.db2.gz XEURJRGOGLBXPG-XTEPFMGCSA-N 1 0 670.604 5.447 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823931 561968745 /nfs/dbraw/zinc/96/87/45/561968745.db2.gz CICLLDVQTZRNHL-MFMCTBQISA-N 1 0 630.661 5.031 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028824334 561969418 /nfs/dbraw/zinc/96/94/18/561969418.db2.gz XNIWNSPKJKBHOG-MWTRTKDXSA-N 1 0 516.435 6.195 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824400 561969531 /nfs/dbraw/zinc/96/95/31/561969531.db2.gz HZRPYRWADRQXAF-DEOSSOPVSA-N 1 0 600.085 5.849 1 0 KKAFRO COC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824388 561969550 /nfs/dbraw/zinc/96/95/50/561969550.db2.gz DZNAVKWCMXJPNV-QHCPKHFHSA-N 1 0 694.773 5.268 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000028825276 561970692 /nfs/dbraw/zinc/97/06/92/561970692.db2.gz GVLCAZROLWVRJA-UHFFFAOYSA-N 1 0 603.188 7.642 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028825978 561971057 /nfs/dbraw/zinc/97/10/57/561971057.db2.gz CRXBLMIVMQUQBT-IADYIPOJSA-N 1 0 546.199 8.066 1 0 KKAFRO Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc21)C1CCC(CC2CCC([NH3+])CC2)CC1 ZINC000028825992 561971059 /nfs/dbraw/zinc/97/10/59/561971059.db2.gz FKMGJEXXKIBPAS-UHFFFAOYSA-N 1 0 605.867 8.591 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826065 561971062 /nfs/dbraw/zinc/97/10/62/561971062.db2.gz QHKRFPAAIXWIKU-UHFFFAOYSA-N 1 0 520.161 7.639 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028825983 561971071 /nfs/dbraw/zinc/97/10/71/561971071.db2.gz AMKOEUKZHYTCTR-UHFFFAOYSA-N 1 0 503.706 7.125 1 0 KKAFRO O[C@@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826468 561971323 /nfs/dbraw/zinc/97/13/23/561971323.db2.gz JUQWNHFUTIWARD-KIJDSKARSA-N 1 0 502.250 5.642 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000028826793 561971337 /nfs/dbraw/zinc/97/13/37/561971337.db2.gz NICHJJOSEXYBED-AMGIVPHBSA-N 1 0 561.598 5.676 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 ZINC000028826858 561971515 /nfs/dbraw/zinc/97/15/15/561971515.db2.gz GNXCXWYINLMYGG-JDCMOKTRSA-N 1 0 610.242 8.935 1 0 KKAFRO CCC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827224 561971579 /nfs/dbraw/zinc/97/15/79/561971579.db2.gz MTNGJFIORXWRNU-AOYPEHQESA-N 1 0 552.181 5.671 1 0 KKAFRO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[N@@H+]1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972673 /nfs/dbraw/zinc/97/26/73/561972673.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 1 0 620.144 5.040 1 0 KKAFRO COc1cccc(/C=C/c2cccc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(CCC(C)C)s4)n(C)c3)c2)c1 ZINC000028864659 561973189 /nfs/dbraw/zinc/97/31/89/561973189.db2.gz QCEWKSLIQDUEKL-FOCLMDBBSA-N 1 0 656.853 6.435 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)OC2([C@@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879678 561976472 /nfs/dbraw/zinc/97/64/72/561976472.db2.gz QRUVSTZLYGAOFS-FTJBHMTQSA-N 1 0 582.113 5.598 1 0 KKAFRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869731 561973830 /nfs/dbraw/zinc/97/38/30/561973830.db2.gz UPEDKGWAXYKNLY-MUUNZHRXSA-N 1 0 502.058 5.514 1 0 KKAFRO CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000028874354 561975201 /nfs/dbraw/zinc/97/52/01/561975201.db2.gz RRWCFKTVVCKJCF-UHFFFAOYSA-N 1 0 645.816 6.890 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825205 561970485 /nfs/dbraw/zinc/97/04/85/561970485.db2.gz YCMNXNTUMHDKAF-RRPNLBNLSA-N 1 0 574.791 5.052 1 0 KKAFRO O=C(OC[C@@H]1CCc2c(F)ccc(F)c2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880469 561976712 /nfs/dbraw/zinc/97/67/12/561976712.db2.gz SLJGZZWFAUNAKU-NRFANRHFSA-N 1 0 568.086 5.215 1 0 KKAFRO O=C(OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000028880376 561976731 /nfs/dbraw/zinc/97/67/31/561976731.db2.gz QVZYXZXMHHINRJ-RUZDIDTESA-N 1 0 546.133 5.327 1 0 KKAFRO O=C(OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000028880383 561976777 /nfs/dbraw/zinc/97/67/77/561976777.db2.gz QVZYXZXMHHINRJ-VWLOTQADSA-N 1 0 546.133 5.327 1 0 KKAFRO CC[C@H](C)C[C@@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887395 561977801 /nfs/dbraw/zinc/97/78/01/561977801.db2.gz LOUSLMDIWLUSPD-VVFBEHOQSA-N 1 0 623.669 8.811 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(Cc2ccc(OCCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892332 561978267 /nfs/dbraw/zinc/97/82/67/561978267.db2.gz ISGIZFSPEHYUGG-JGCGQSQUSA-N 1 0 643.872 8.387 1 0 KKAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000028895528 561979005 /nfs/dbraw/zinc/97/90/05/561979005.db2.gz RCHYFBVTUQLSBM-NDEPHWFRSA-N 1 0 574.574 5.465 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccc2F)n1C ZINC000028897726 561979352 /nfs/dbraw/zinc/97/93/52/561979352.db2.gz CGTBCWUDBIIJEU-UHFFFAOYSA-N 1 0 597.081 5.905 1 0 KKAFRO COc1ccc(-n2c(=O)c(C[N@H+](CCc3ccc(Cl)cc3)C3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)n2C)cc1 ZINC000028897772 561979417 /nfs/dbraw/zinc/97/94/17/561979417.db2.gz JZUNRVSSTGSVKM-UHFFFAOYSA-N 1 0 609.117 5.774 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+](C)C)cc3)c3ccccc23)cc1 ZINC000028899790 561979624 /nfs/dbraw/zinc/97/96/24/561979624.db2.gz BSQWOONHGXKYPN-UHFFFAOYSA-N 1 0 531.704 8.004 1 0 KKAFRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000028953862 561982643 /nfs/dbraw/zinc/98/26/43/561982643.db2.gz VXQJDXAWIYEKSX-QHCPKHFHSA-N 1 0 637.673 6.076 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964221 561984633 /nfs/dbraw/zinc/98/46/33/561984633.db2.gz QNAZSARXQYTHPS-UHFFFAOYSA-N 1 0 538.558 5.522 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967845 561985336 /nfs/dbraw/zinc/98/53/36/561985336.db2.gz VZSYTNVKRSAXSQ-IZZNHLLZSA-N 1 0 540.733 7.255 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967549 561985350 /nfs/dbraw/zinc/98/53/50/561985350.db2.gz LDZJYSFVYNCVIH-AREMUKBSSA-N 1 0 526.706 6.363 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967855 561985403 /nfs/dbraw/zinc/98/54/03/561985403.db2.gz VZSYTNVKRSAXSQ-UIOOFZCWSA-N 1 0 540.733 7.255 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCC1 ZINC000028967821 561985405 /nfs/dbraw/zinc/98/54/05/561985405.db2.gz DGSLFPMHFOWLJO-ZEQRLZLVSA-N 1 0 512.679 6.475 1 0 KKAFRO C(=C\CCCC[n+]1cccc(C/C=C\CCCCCCc2cccnc2)c1)\CCCCCCc1cccnc1 ZINC000028972300 561986007 /nfs/dbraw/zinc/98/60/07/561986007.db2.gz QMKWJZIROZRKOP-JXSNUWOOSA-N 1 0 524.817 8.976 1 0 KKAFRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccncc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976271 561986766 /nfs/dbraw/zinc/98/67/66/561986766.db2.gz HHTASDRYKNUPBC-LJAQVGFWSA-N 1 0 551.672 5.652 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000028978238 561987648 /nfs/dbraw/zinc/98/76/48/561987648.db2.gz MUMIOCPFGKBWRY-XIFFEERXSA-N 1 0 601.755 5.482 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039320 561989751 /nfs/dbraw/zinc/98/97/51/561989751.db2.gz DIPQOIDSXYFTQU-SMIHKQSGSA-N 1 0 524.027 5.484 1 0 KKAFRO CCC[C@H](CC[NH+]1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040114 561990435 /nfs/dbraw/zinc/99/04/35/561990435.db2.gz RSPBPCIHBNXMEH-JOCHJYFZSA-N 1 0 514.554 7.026 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)C(C)(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041175 561991105 /nfs/dbraw/zinc/99/11/05/561991105.db2.gz FQUPYLMXSGFHKX-KGPYPHOUSA-N 1 0 539.164 5.384 1 0 KKAFRO O=S(=O)(c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)[C@H]1C[NH2+]C[C@@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000029056552 561995120 /nfs/dbraw/zinc/99/51/20/561995120.db2.gz QYGOBWCFGYQLQF-KYJUHHDHSA-N 1 0 697.723 6.147 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](C)[NH2+]C3CCCC3)c2=O)c1F ZINC000029044058 561992211 /nfs/dbraw/zinc/99/22/11/561992211.db2.gz DPZXJEKKYPDJHQ-MRXNPFEDSA-N 1 0 551.556 5.260 1 0 KKAFRO COC(=O)c1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029043862 561992227 /nfs/dbraw/zinc/99/22/27/561992227.db2.gz FYFWEZLGJFREHK-MHZLTWQESA-N 1 0 573.521 5.746 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045138 561992416 /nfs/dbraw/zinc/99/24/16/561992416.db2.gz AHCRDIRRQYOJIL-DBXZWAMYSA-N 1 0 526.508 5.967 1 0 KKAFRO CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)[NH2+]C1CCCC1 ZINC000029045511 561992520 /nfs/dbraw/zinc/99/25/20/561992520.db2.gz FMLZUVLSVOQILD-SFHVURJKSA-N 1 0 582.038 6.164 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)[NH2+]C3CCCC3)c2=O)c1 ZINC000029048086 561993488 /nfs/dbraw/zinc/99/34/88/561993488.db2.gz WTSAUOAPZYLYFR-KRWDZBQOSA-N 1 0 533.566 5.121 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccc(OC)cc3)CC[NH2+]2)c1 ZINC000029128971 562001400 /nfs/dbraw/zinc/00/14/00/562001400.db2.gz GBUKYTVLTOIORB-NUUAREAFSA-N 1 0 635.796 5.857 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cc(C)on4)c3=O)CC2)C(C)C)c1 ZINC000029061765 561995895 /nfs/dbraw/zinc/99/58/95/561995895.db2.gz IDLRMEJDJHCABK-LJAQVGFWSA-N 1 0 532.685 5.595 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccsc4)c3=O)CC2)C(C)C)c1 ZINC000029062402 561996053 /nfs/dbraw/zinc/99/60/53/561996053.db2.gz HCQKPNWGBSJSPN-LJAQVGFWSA-N 1 0 533.738 6.360 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cscn4)c3=O)CC2)C(C)C)c1 ZINC000029062590 561996072 /nfs/dbraw/zinc/99/60/72/561996072.db2.gz AEKVLGLTXHMUPW-MUUNZHRXSA-N 1 0 534.726 5.755 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](C3CCCCC3)CC[NH2+]2)c1 ZINC000029128927 562001430 /nfs/dbraw/zinc/00/14/30/562001430.db2.gz HPZJATXZBWZOFX-NEVPTIFISA-N 1 0 597.791 6.186 1 0 KKAFRO CC1([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000029125417 561997632 /nfs/dbraw/zinc/99/76/32/561997632.db2.gz OCGBVLQLCRQMAB-UHFFFAOYSA-N 1 0 517.906 5.174 1 0 KKAFRO Cc1nc2cc3c(cc2s1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126804 561998914 /nfs/dbraw/zinc/99/89/14/561998914.db2.gz MXYJVPGKILUPBU-UHFFFAOYSA-N 1 0 514.724 5.840 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(F)(F)C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029126855 561999083 /nfs/dbraw/zinc/99/90/83/561999083.db2.gz HRUTWQCXFHLYSD-UHFFFAOYSA-N 1 0 602.633 6.717 1 0 KKAFRO Cn1c2cc(SCCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029126892 561999099 /nfs/dbraw/zinc/99/90/99/561999099.db2.gz CKKMGSZIYBJNAZ-UHFFFAOYSA-N 1 0 520.054 5.819 1 0 KKAFRO CCc1nc2ccc3c(c2s1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127440 561999801 /nfs/dbraw/zinc/99/98/01/561999801.db2.gz ZLAONGKKHFSBFL-UHFFFAOYSA-N 1 0 528.751 6.094 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4nc5ccc(Cl)cn5c4CC3)n2C)n1 ZINC000029127382 561999875 /nfs/dbraw/zinc/99/98/75/561999875.db2.gz YNRYXTYLZKMJRP-UHFFFAOYSA-N 1 0 518.090 5.223 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@]3(CCN(Cc4cc(F)cc(C(F)(F)F)c4)C3=O)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128135 562000581 /nfs/dbraw/zinc/00/05/81/562000581.db2.gz GZGXEOPUVQVMJO-YSABAHSFSA-N 1 0 512.591 6.422 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131493 562003055 /nfs/dbraw/zinc/00/30/55/562003055.db2.gz OCCKNKZEIGZTKX-XNTDXEJSSA-N 1 0 594.658 6.969 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)ccc3oc2=O)cc1 ZINC000029131584 562003233 /nfs/dbraw/zinc/00/32/33/562003233.db2.gz KFRZFMDOBBBWCR-GZTJUZNOSA-N 1 0 627.568 7.997 1 0 KKAFRO CC(=O)CCCCC[C@H](NC(=O)CC[NH+]1CCCCC1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000029133365 562003683 /nfs/dbraw/zinc/00/36/83/562003683.db2.gz HJYQTADAMJLXQM-PMERELPUSA-N 1 0 544.740 5.394 1 0 KKAFRO c1ncn(C[C@@H]2C[NH2+]C[C@H](OCc3ccc4ccccc4c3)[C@H]2c2ccc(OCCCOCc3ccccc3)cc2)n1 ZINC000029210134 562005669 /nfs/dbraw/zinc/00/56/69/562005669.db2.gz ISCDJZSJGRAECW-SYRLMZQMSA-N 1 0 562.714 6.006 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029213492 562006191 /nfs/dbraw/zinc/00/61/91/562006191.db2.gz TWFDBVKIWAXYPQ-KXQOOQHDSA-N 1 0 672.830 5.898 1 0 KKAFRO COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CC[NH2+]CC2)cc1 ZINC000029225098 562007963 /nfs/dbraw/zinc/00/79/63/562007963.db2.gz JULKXNJNDXUFKZ-ZPGRZCPFSA-N 1 0 695.857 5.064 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCCCCOc1ccc3oc(-c4ccccc4)cc(=O)c3c1)CC2 ZINC000029331498 562013841 /nfs/dbraw/zinc/01/38/41/562013841.db2.gz HJPDDBRFRIQQEK-UHFFFAOYSA-N 1 0 551.687 5.828 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCCC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335821 562014301 /nfs/dbraw/zinc/01/43/01/562014301.db2.gz LHMWCFQUSQQLNY-PSLXYLBZSA-N 1 0 653.716 7.527 1 0 KKAFRO COc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338556 562014796 /nfs/dbraw/zinc/01/47/96/562014796.db2.gz UZAQLUSKGDVMCF-VWLOTQADSA-N 1 0 546.520 6.475 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342614 562015629 /nfs/dbraw/zinc/01/56/29/562015629.db2.gz FURDJWVBJDISJQ-AVGMXXAGSA-N 1 0 686.942 5.115 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346766 562016331 /nfs/dbraw/zinc/01/63/31/562016331.db2.gz VBJNBIZNIBCBGI-BLUCGVCNSA-N 1 0 695.949 5.797 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391592 562017521 /nfs/dbraw/zinc/01/75/21/562017521.db2.gz LEEHPZGJUHNWAY-AKGWNBJDSA-N 1 0 627.638 5.788 1 0 KKAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(CCCCCc4ccccc4)[C@H]2C3)c1 ZINC000029399314 562019349 /nfs/dbraw/zinc/01/93/49/562019349.db2.gz KKVROIJUGNLEGV-YFKWQYMLSA-N 1 0 592.828 7.212 1 0 KKAFRO CCCCCC[N@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000029411467 562021780 /nfs/dbraw/zinc/02/17/80/562021780.db2.gz WRUVHBAJFNMPQH-PFFNZIMVSA-N 1 0 525.642 5.059 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc(Cl)c(Cl)c1)c2OCC[C@@H]1CCCC[NH2+]1)NC1CC1 ZINC000029413070 562022289 /nfs/dbraw/zinc/02/22/89/562022289.db2.gz ASEOTCOKDIUIKD-HNNXBMFYSA-N 1 0 549.886 6.763 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029413004 562022311 /nfs/dbraw/zinc/02/23/11/562022311.db2.gz RKZCTYFZGUIBCA-UHFFFAOYSA-N 1 0 644.882 6.115 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029413969 562022400 /nfs/dbraw/zinc/02/24/00/562022400.db2.gz ICFPDSWFZNRQEB-UHFFFAOYSA-N 1 0 644.926 7.732 1 0 KKAFRO CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029414468 562022599 /nfs/dbraw/zinc/02/25/99/562022599.db2.gz ISJCUKQDFPXHAV-UHFFFAOYSA-N 1 0 579.166 7.996 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029415673 562022893 /nfs/dbraw/zinc/02/28/93/562022893.db2.gz GTZRWABUMPGTQA-LJQANCHMSA-N 1 0 509.050 6.073 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029464983 562024059 /nfs/dbraw/zinc/02/40/59/562024059.db2.gz UQMILXFLXOSGFZ-MKPDMIMOSA-N 1 0 614.856 6.991 1 0 KKAFRO Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C[NH+](C)C ZINC000029465079 562024073 /nfs/dbraw/zinc/02/40/73/562024073.db2.gz KIRNMAGSVAWHCO-HKBQPEDESA-N 1 0 569.709 6.288 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465321 562024161 /nfs/dbraw/zinc/02/41/61/562024161.db2.gz SECFZHGJDQJKBR-VSGBNLITSA-N 1 0 564.818 7.679 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029466753 562024514 /nfs/dbraw/zinc/02/45/14/562024514.db2.gz PUSXOKJZGMZXRI-UHFFFAOYSA-N 1 0 552.763 6.138 1 0 KKAFRO Cc1ccccc1C(=O)N1CCC([NH+]2CCC(Cc3ccc(C(=O)NC4CCCCC4)cc3)CC2)CC1 ZINC000029477312 562026563 /nfs/dbraw/zinc/02/65/63/562026563.db2.gz HFWURZKSAVCTMR-UHFFFAOYSA-N 1 0 501.715 5.617 1 0 KKAFRO CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029476498 562026565 /nfs/dbraw/zinc/02/65/65/562026565.db2.gz MNHHOQWQNUEUCD-UHFFFAOYSA-N 1 0 557.160 7.595 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)CC1CCCCC1 ZINC000029485796 562028221 /nfs/dbraw/zinc/02/82/21/562028221.db2.gz TUMDEIKQICSUFW-YDAXCOIMSA-N 1 0 652.924 6.564 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029549755 562030734 /nfs/dbraw/zinc/03/07/34/562030734.db2.gz BBSPBBGTHVFTAX-SSEXGKCCSA-N 1 0 566.720 5.692 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4c(F)c(F)c(F)c(F)c4F)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000029551920 562031213 /nfs/dbraw/zinc/03/12/13/562031213.db2.gz JEGXPGGCWMRZSY-YNLKZZDMSA-N 1 0 594.580 5.790 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029556039 562032073 /nfs/dbraw/zinc/03/20/73/562032073.db2.gz URROWHQGEAJOJS-BHLFKXHTSA-N 1 0 612.792 7.313 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029556035 562032087 /nfs/dbraw/zinc/03/20/87/562032087.db2.gz URROWHQGEAJOJS-NIZKYUCHSA-N 1 0 612.792 7.313 1 0 KKAFRO CCC(O)(CC)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029557893 562032416 /nfs/dbraw/zinc/03/24/16/562032416.db2.gz ZAPNVNHZAUSHOF-QHCPKHFHSA-N 1 0 505.530 6.502 1 0 KKAFRO CC(=O)OCCC1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029558854 562032657 /nfs/dbraw/zinc/03/26/57/562032657.db2.gz ABDVJDWAZPTZIF-XMMPIXPASA-N 1 0 505.486 5.905 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2CN(C)c3ccccc3S2)c1 ZINC000029559542 562032845 /nfs/dbraw/zinc/03/28/45/562032845.db2.gz YRKXDSQFNDBXPZ-GDLZYMKVSA-N 1 0 522.667 5.487 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c2nccc(C)c2c1 ZINC000029562113 562033438 /nfs/dbraw/zinc/03/34/38/562033438.db2.gz QCBFODWRRAEXBK-UHFFFAOYSA-N 1 0 551.735 7.100 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCOCc1ccccc1)(C(=O)OCCOCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029562472 562033555 /nfs/dbraw/zinc/03/35/55/562033555.db2.gz UPSWHQQMVBWOON-SYBRLPANSA-N 1 0 690.189 5.582 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCOC(=O)C1CCCCC1)(C(=O)OCOC(=O)C1CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563537 562033798 /nfs/dbraw/zinc/03/37/98/562033798.db2.gz FCXDFNJJQNWOHQ-BTYSJIOQSA-N 1 0 702.197 5.310 1 0 KKAFRO CCCCOc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565716 562034278 /nfs/dbraw/zinc/03/42/78/562034278.db2.gz NHMBRKFMTPPSQN-HHHXNRCGSA-N 1 0 546.687 5.719 1 0 KKAFRO COc1cc(NCCCCCCN2CC[NH+](CCCCCCNc3cc(OC)cc4c(C)ccnc34)CC2)c2nccc(C)c2c1 ZINC000029566225 562034484 /nfs/dbraw/zinc/03/44/84/562034484.db2.gz SYHRBMHQKYRHDN-UHFFFAOYSA-N 1 0 626.890 7.679 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000029568401 562034902 /nfs/dbraw/zinc/03/49/02/562034902.db2.gz ADOUHIKUSVYGDB-UMSFTDKQSA-N 1 0 620.800 6.616 1 0 KKAFRO CCOC(=O)COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569592 562035314 /nfs/dbraw/zinc/03/53/14/562035314.db2.gz XHYFULXHOBTXHZ-UHFFFAOYSA-N 1 0 530.644 5.285 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000033991275 562037947 /nfs/dbraw/zinc/03/79/47/562037947.db2.gz ZEGMQPVHYFMFTC-SOFGYWHQSA-N 1 0 510.509 6.996 1 0 KKAFRO CCOC(=O)Nc1cc(NCCCC[NH+](CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000034081289 562038272 /nfs/dbraw/zinc/03/82/72/562038272.db2.gz JAMASXYVIJBNCE-UHFFFAOYSA-N 1 0 512.658 6.461 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1ccccc1 ZINC000034638161 562039384 /nfs/dbraw/zinc/03/93/84/562039384.db2.gz VPZIAIQZWHQVKN-IXCJQBJRSA-N 1 0 505.456 5.977 1 0 KKAFRO COC[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000034689172 562039639 /nfs/dbraw/zinc/03/96/39/562039639.db2.gz ZWTFULMWPLLWNJ-NTSPJBIXSA-N 1 0 503.646 5.955 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(CC(=O)N(C)Cc4ccccc4)cc3)cc2)cc1 ZINC000034802886 562042224 /nfs/dbraw/zinc/04/22/24/562042224.db2.gz HVSKDFHVTFRADD-UHFFFAOYSA-N 1 0 673.986 9.832 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cccnc3)cc2)cc1 ZINC000034802866 562042235 /nfs/dbraw/zinc/04/22/35/562042235.db2.gz SYYDTXOLWIDTSO-UHFFFAOYSA-N 1 0 513.770 8.026 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-n3ccc4ccccc43)cc2)cc1 ZINC000034802941 562042246 /nfs/dbraw/zinc/04/22/46/562042246.db2.gz OAWDWPLMFRLCPM-UHFFFAOYSA-N 1 0 551.819 8.908 1 0 KKAFRO CC(C)(Cc1ccc[nH]1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803841 562042663 /nfs/dbraw/zinc/04/26/63/562042663.db2.gz GXGSIDYYBHMTRW-JHOBJCJYSA-N 1 0 519.649 5.811 1 0 KKAFRO CC(C)(Cc1ccco1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803789 562042675 /nfs/dbraw/zinc/04/26/75/562042675.db2.gz LPAYCLFCCMEDPJ-YUDQIZAISA-N 1 0 520.633 6.076 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000036107627 562047144 /nfs/dbraw/zinc/04/71/44/562047144.db2.gz LPFASJPXYLLRNZ-PWHAENATSA-N 1 0 531.656 5.790 1 0 KKAFRO CC(C)(C(=O)[O-])[N@@H+]1CC[C@](C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184914 562050635 /nfs/dbraw/zinc/05/06/35/562050635.db2.gz QIDWKMNIWOOQON-MGBGTMOVSA-N 1 0 576.137 5.720 1 0 KKAFRO CC(C)(C(=O)[O-])[N@@H+]1CC[C@@](C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184915 562050640 /nfs/dbraw/zinc/05/06/40/562050640.db2.gz QIDWKMNIWOOQON-XIFFEERXSA-N 1 0 576.137 5.720 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036161432 562048683 /nfs/dbraw/zinc/04/86/83/562048683.db2.gz BFWDXOBUPPVYOP-JYFHCDHNSA-N 1 0 565.702 5.721 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000036161727 562048918 /nfs/dbraw/zinc/04/89/18/562048918.db2.gz KWUDOKOIFMMBSB-CZNDPXEESA-N 1 0 567.755 6.039 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cccc(C(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175854 562049112 /nfs/dbraw/zinc/04/91/12/562049112.db2.gz HWONJOBGTHEKEX-AREMUKBSSA-N 1 0 603.184 7.392 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cccc(C(=O)c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175848 562049115 /nfs/dbraw/zinc/04/91/15/562049115.db2.gz HWONJOBGTHEKEX-SANMLTNESA-N 1 0 603.184 7.392 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175861 562049140 /nfs/dbraw/zinc/04/91/40/562049140.db2.gz MHGZBVHCBAKBRE-AREMUKBSSA-N 1 0 603.184 7.392 1 0 KKAFRO c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1 ZINC000036176860 562049353 /nfs/dbraw/zinc/04/93/53/562049353.db2.gz AQYYPSFZMCKSEL-UHFFFAOYSA-N 1 0 506.654 6.140 1 0 KKAFRO c1ccc(COc2cccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c32)cc1 ZINC000036176907 562049396 /nfs/dbraw/zinc/04/93/96/562049396.db2.gz WDNZQFHFETZMGC-UHFFFAOYSA-N 1 0 506.654 6.140 1 0 KKAFRO CO[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000035803250 562045332 /nfs/dbraw/zinc/04/53/32/562045332.db2.gz ANZZTPCLLZBEDB-LOYHVIPDSA-N 1 0 534.722 5.198 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)cc1 ZINC000035953479 562045922 /nfs/dbraw/zinc/04/59/22/562045922.db2.gz KPCPMJMIWCGMJL-RPLLCQBOSA-N 1 0 511.732 5.010 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985891 562046013 /nfs/dbraw/zinc/04/60/13/562046013.db2.gz LGUUOHMUYOBFQP-MAARLIENSA-N 1 0 508.147 5.324 1 0 in-vitro KKAFRO CC(C)C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188212 562050908 /nfs/dbraw/zinc/05/09/08/562050908.db2.gz ATMSNHXEYRRTQU-UHFFFAOYSA-N 1 0 522.480 6.142 1 0 KKAFRO COc1cc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2cc1OCc1ccccc1 ZINC000036241929 562052111 /nfs/dbraw/zinc/05/21/11/562052111.db2.gz NDNBEXWXHBXBLZ-UHFFFAOYSA-N 1 0 536.680 6.149 1 0 KKAFRO CC[NH+](CC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036285009 562053604 /nfs/dbraw/zinc/05/36/04/562053604.db2.gz OCUATQXDWXBVSN-FCIJAXDVSA-N 1 0 608.271 5.229 1 0 KKAFRO CC[NH+](CC)C[C@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036285002 562053638 /nfs/dbraw/zinc/05/36/38/562053638.db2.gz AYFBIKAUTDMRMP-HWIYEDSRSA-N 1 0 622.298 5.619 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)cc2Cl)CC1 ZINC000036285402 562054056 /nfs/dbraw/zinc/05/40/56/562054056.db2.gz SILNTLFKAKKABH-NSYGIPOTSA-N 1 0 512.016 5.695 1 0 KKAFRO CC[C@@H](C)[C@H](NC[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285681 562054362 /nfs/dbraw/zinc/05/43/62/562054362.db2.gz TUVLNWRHXNOMHI-IFVWFWILSA-N 1 0 599.569 6.722 1 0 KKAFRO CC[C@@H](C)C[NH2+][C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)[C@H](C)CC ZINC000036285629 562054367 /nfs/dbraw/zinc/05/43/67/562054367.db2.gz AUHYYKPUZBCSPT-RLCGNTSFSA-N 1 0 586.570 8.017 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322384 562055190 /nfs/dbraw/zinc/05/51/90/562055190.db2.gz VDGIWFABCWUAFZ-RPWUZVMVSA-N 1 0 551.518 6.632 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000036338406 562057000 /nfs/dbraw/zinc/05/70/00/562057000.db2.gz CAQXAJWFVJDJDE-BVAGGSTKSA-N 1 0 534.595 5.387 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(F)cc1 ZINC000036338856 562057587 /nfs/dbraw/zinc/05/75/87/562057587.db2.gz YKIIROJVKKTKLM-UHFFFAOYSA-N 1 0 530.673 5.260 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc21 ZINC000036349218 562057829 /nfs/dbraw/zinc/05/78/29/562057829.db2.gz GVJSNYBRUNZPPQ-WJOKGBTCSA-N 1 0 556.714 5.883 1 0 KKAFRO COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c(OC)c1 ZINC000036349232 562057878 /nfs/dbraw/zinc/05/78/78/562057878.db2.gz FCJVKIMYXMJFFZ-WJOKGBTCSA-N 1 0 619.770 5.619 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C(C)(C)C)c4)C[C@H]23)CC1 ZINC000036351560 562058633 /nfs/dbraw/zinc/05/86/33/562058633.db2.gz WAZISUGLKFROPV-LXPNYDBHSA-N 1 0 584.180 6.055 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5onc(N)c5c4)C[C@H]23)CC1 ZINC000036351585 562058685 /nfs/dbraw/zinc/05/86/85/562058685.db2.gz ZLLBDCVHUSTQSG-MBEZDYHHSA-N 1 0 574.623 5.160 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccsc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351660 562059003 /nfs/dbraw/zinc/05/90/03/562059003.db2.gz UGGDWDWAVIMIDR-WJOKGBTCSA-N 1 0 568.614 7.914 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[N@@H+]1CCC[C@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000036352000 562059490 /nfs/dbraw/zinc/05/94/90/562059490.db2.gz RPJZHDKOKSGFON-SAFLGMMZSA-N 1 0 525.524 5.894 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccs2)=[NH+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000036381702 562059790 /nfs/dbraw/zinc/05/97/90/562059790.db2.gz WNWHHBLGODVYBJ-DEOSSOPVSA-N 1 0 513.585 5.959 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000036476050 562060841 /nfs/dbraw/zinc/06/08/41/562060841.db2.gz GPVUPWDIARYBQH-UHFFFAOYSA-N 1 0 522.137 5.425 1 0 KKAFRO CC[NH+](CC)CCOc1cc(-c2nc(N)nc3sc(C(=O)NCC(F)(F)F)cc32)c(Cl)cc1Cl ZINC000037246118 562061640 /nfs/dbraw/zinc/06/16/40/562061640.db2.gz QYZCJVOCSJBEHM-UHFFFAOYSA-N 1 0 536.407 5.260 1 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000038141607 562063322 /nfs/dbraw/zinc/06/33/22/562063322.db2.gz WDCDEPYWKIKBOG-MXSCXNJPSA-N 1 0 632.798 6.491 3 0 KKAFRO COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038146149 562064873 /nfs/dbraw/zinc/06/48/73/562064873.db2.gz OZKLKDLVQYRQOC-QCENPCRXSA-N 1 0 565.714 5.803 3 0 KKAFRO COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038146126 562064877 /nfs/dbraw/zinc/06/48/77/562064877.db2.gz UANFULIBDKUDQO-BHDXBOSCSA-N 1 0 565.714 5.803 3 0 KKAFRO COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038146161 562064932 /nfs/dbraw/zinc/06/49/32/562064932.db2.gz IXEGOJCKIOCKJP-BHDXBOSCSA-N 1 0 565.714 5.803 3 0 KKAFRO COC[C@H]1CCC[N@@H+]1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1C ZINC000038149680 562066036 /nfs/dbraw/zinc/06/60/36/562066036.db2.gz JNHZMEBIKUJAIN-JOCHJYFZSA-N 1 0 519.070 5.870 1 0 KKAFRO O=C(NCCC[NH+]1CCCC1)c1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2c1 ZINC000038149701 562066165 /nfs/dbraw/zinc/06/61/65/562066165.db2.gz KTUUGIXLHKSABH-UHFFFAOYSA-N 1 0 543.092 6.137 1 0 KKAFRO CC(C)CC[N@H+](C)[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000038150639 562066441 /nfs/dbraw/zinc/06/64/41/562066441.db2.gz VULRFDUFJCQCEM-WUFINQPMSA-N 1 0 537.745 5.240 1 0 KKAFRO [NH3+]CCCn1nc(C2=C(c3cn(-c4csc5ccccc54)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000038151311 562066858 /nfs/dbraw/zinc/06/68/58/562066858.db2.gz ANUONHHEYSLORP-UHFFFAOYSA-N 1 0 517.614 5.111 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157516 562069303 /nfs/dbraw/zinc/06/93/03/562069303.db2.gz OIQRRPTWMZBNMA-RBISFHTESA-N 1 0 528.759 5.323 1 0 KKAFRO NC(=O)c1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157852 562069623 /nfs/dbraw/zinc/06/96/23/562069623.db2.gz AGMAFERLZIQTJG-UHFFFAOYSA-N 1 0 548.584 6.794 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157897 562069783 /nfs/dbraw/zinc/06/97/83/562069783.db2.gz DXZCQJLJSTXNQD-UHFFFAOYSA-N 1 0 574.955 7.915 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc31)cc(=O)n2C ZINC000040401498 562074583 /nfs/dbraw/zinc/07/45/83/562074583.db2.gz RNXCYTSKNUJZDX-WJOKGBTCSA-N 1 0 505.021 5.996 1 0 KKAFRO O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2C1)c1ccccc1)C1CCCC1 ZINC000038276312 562070791 /nfs/dbraw/zinc/07/07/91/562070791.db2.gz RYPQMOYFQGEWGP-FBLLAGFSSA-N 1 0 514.497 5.435 1 0 KKAFRO Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)cc1 ZINC000038391701 562071883 /nfs/dbraw/zinc/07/18/83/562071883.db2.gz ATULXEYLXXNOLJ-UHFFFAOYSA-N 1 0 512.683 5.087 1 0 KKAFRO CC(C)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(F)cc1 ZINC000038407594 562071899 /nfs/dbraw/zinc/07/18/99/562071899.db2.gz JFAGQDWVZLDBSM-SANMLTNESA-N 1 0 521.036 5.426 1 0 KKAFRO COc1cccc2c(-c3ccc4c(c3OCc3ccc(Cl)cc3)[C@@H](C)[NH2+][C@H](C)C4)c(C)cc(OC)c12 ZINC000039184014 562072772 /nfs/dbraw/zinc/07/27/72/562072772.db2.gz LSNLZUXBZKOTPR-WOJBJXKFSA-N 1 0 502.054 7.660 1 0 KKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368864 562073235 /nfs/dbraw/zinc/07/32/35/562073235.db2.gz BEOPGQZLRRYYIV-WYYYCIQASA-N 1 0 501.711 5.925 1 0 KKAFRO CCN(C(=O)Cc1cccc(Cl)c1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380040 562073404 /nfs/dbraw/zinc/07/34/04/562073404.db2.gz BKSQFACSRZWUHK-DWACAAAGSA-N 1 0 510.122 5.632 1 0 KKAFRO C[NH2+]CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000040409031 562075204 /nfs/dbraw/zinc/07/52/04/562075204.db2.gz DIUXCEUBKUBNAR-UHFFFAOYSA-N 1 0 523.508 5.443 1 0 KKAFRO CC[NH+](CC)C[C@@H](O)CSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422445 562076023 /nfs/dbraw/zinc/07/60/23/562076023.db2.gz LLMCAXLJBYLHOZ-GGAORHGYSA-N 1 0 514.679 5.868 1 0 KKAFRO COCCNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875782 562082161 /nfs/dbraw/zinc/08/21/61/562082161.db2.gz RYSIREMKKVFZGH-ONCRSHKTSA-N 1 0 523.504 6.410 1 0 KKAFRO COc1cc(-n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040567637 562078133 /nfs/dbraw/zinc/07/81/33/562078133.db2.gz WYTOUMBPVYBMOE-UHFFFAOYSA-N 1 0 515.557 5.616 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640910 562078701 /nfs/dbraw/zinc/07/87/01/562078701.db2.gz JKVMLYRCSNRRJI-QHCPKHFHSA-N 1 0 523.620 5.983 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2cccc(F)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878167 562082308 /nfs/dbraw/zinc/08/23/08/562082308.db2.gz NTMYREWWPOLSFO-AREMUKBSSA-N 1 0 505.472 5.253 1 0 KKAFRO CCCCCCOc1ccc(CCCN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040860454 562080672 /nfs/dbraw/zinc/08/06/72/562080672.db2.gz JGKSPPGFYBGXLZ-UHFFFAOYSA-N 1 0 525.781 7.784 1 0 KKAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C(C)C)CC1 ZINC000040864159 562081205 /nfs/dbraw/zinc/08/12/05/562081205.db2.gz SVFWXPKDJMPRAO-AOYPEHQESA-N 1 0 506.518 5.331 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2ccc(F)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878171 562082434 /nfs/dbraw/zinc/08/24/34/562082434.db2.gz ITWYTIMGSRUMGF-SANMLTNESA-N 1 0 505.472 5.253 1 0 KKAFRO CCC[N@@H+]1CCC[C@@H](c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040917737 562084150 /nfs/dbraw/zinc/08/41/50/562084150.db2.gz LZOWLPPKVLNYEG-GOSISDBHSA-N 1 0 517.609 5.281 1 0 KKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 ZINC000040950138 562085864 /nfs/dbraw/zinc/08/58/64/562085864.db2.gz ITCCUUDZMVHYGN-CPJSRVTESA-N 1 0 501.666 5.808 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(OCC[NH+]4CCCC4)c(F)c3)nc21 ZINC000042806095 562089394 /nfs/dbraw/zinc/08/93/94/562089394.db2.gz DVUHFGSLDSLHHD-UHFFFAOYSA-N 1 0 602.542 7.049 1 0 KKAFRO CC(C)C(=O)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979186 562087337 /nfs/dbraw/zinc/08/73/37/562087337.db2.gz HNQYTVPEOUBBMB-HKBQPEDESA-N 1 0 535.679 6.441 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@]1(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C1)CC2 ZINC000042802920 562088002 /nfs/dbraw/zinc/08/80/02/562088002.db2.gz XSVMXTIGTBKCGV-XIFFEERXSA-N 1 0 605.610 6.263 1 0 KKAFRO OC1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000042804464 562088876 /nfs/dbraw/zinc/08/88/76/562088876.db2.gz DVAZWOXQVNJJPK-UHFFFAOYSA-N 1 0 623.765 5.880 1 0 KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(C(C(=O)CC[C@]24C=CC=C[C@H]2CCC4)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572946 560051991 /nfs/dbraw/zinc/05/19/91/560051991.db2.gz WABDBWWJJRCSNZ-FNIQRKFXSA-N 1 0 555.715 6.715 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532485 560072569 /nfs/dbraw/zinc/07/25/69/560072569.db2.gz DNKXVIYIYOJKAX-UGUVHVGASA-N 1 0 565.751 5.413 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532484 560072604 /nfs/dbraw/zinc/07/26/04/560072604.db2.gz JCWGXPRLHTYUPI-BRSAXREFSA-N 1 0 551.768 6.750 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532527 560072771 /nfs/dbraw/zinc/07/27/71/560072771.db2.gz BRXUIIUGTNKPTP-RPRXFXJRSA-N 1 0 511.703 5.970 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)[N@@H+]3[C@@H]4[C@@H](O)[C@@H]1C=CC[C@H](C2CCCC2)C1 ZINC000085532400 560072813 /nfs/dbraw/zinc/07/28/13/560072813.db2.gz ORWSLTCMPSGEKV-FXQMJOQPSA-N 1 0 535.725 5.990 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532293 560072846 /nfs/dbraw/zinc/07/28/46/560072846.db2.gz VKLPRNPIIVTDSV-MXQFIXMASA-N 1 0 551.724 5.107 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@H]4[C@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCCC3)[C@H]2[C@@H]1C ZINC000085532414 560072887 /nfs/dbraw/zinc/07/28/87/560072887.db2.gz KGHSTAMKPPWTCL-GWUGCHCVSA-N 1 0 589.773 5.802 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532363 560072995 /nfs/dbraw/zinc/07/29/95/560072995.db2.gz JEZHWXCCRGAZAB-JCHDKBKWSA-N 1 0 577.806 7.162 1 0 biogenic,in-vitro KKAFRO NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@H](CC[C@H](CCCCCCCCCCO)c2ccc3ccccc3c2)NC2=[NH+]CC=C2)N1 ZINC000085510214 560074033 /nfs/dbraw/zinc/07/40/33/560074033.db2.gz LXAJABPWXHTOGL-JTRPCNPXSA-N 1 0 586.801 6.489 1 0 biogenic,in-vitro KKAFRO O=C(NC(c1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043023593 562645008 /nfs/dbraw/zinc/64/50/08/562645008.db2.gz HRZRYVPXWIYFIB-UHFFFAOYSA-N 1 0 532.610 6.549 1 0 KKAFRO O=C(N[C@@H](Cn1ccnc1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062450 562645204 /nfs/dbraw/zinc/64/52/04/562645204.db2.gz PFTYUXPUTSSSAS-MHZLTWQESA-N 1 0 536.602 5.398 1 0 KKAFRO Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(NC2CCCCC2)[nH+]1 ZINC000043120479 562646075 /nfs/dbraw/zinc/64/60/75/562646075.db2.gz VFFHCGPPCOGILD-AVRWGWEMSA-N 1 0 527.938 7.772 1 0 KKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH+]2CCC(F)CC2)cc1Cl ZINC000043121203 562646174 /nfs/dbraw/zinc/64/61/74/562646174.db2.gz JVKDICNPGGXTEU-MRXNPFEDSA-N 1 0 513.038 5.889 1 0 KKAFRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)cc1 ZINC000043132749 562646328 /nfs/dbraw/zinc/64/63/28/562646328.db2.gz FSUFOQPLZDXJSH-UHFFFAOYSA-N 1 0 619.747 5.693 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@@]3(O)CC[NH2+]C[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000043171037 562646545 /nfs/dbraw/zinc/64/65/45/562646545.db2.gz BUELDWWCLYPLID-YDYNHKSESA-N 1 0 597.583 6.365 1 0 KKAFRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)CC(C)(C)O2 ZINC000043203227 562646974 /nfs/dbraw/zinc/64/69/74/562646974.db2.gz MNENNUUKHSBOKZ-BEOVBFIISA-N 1 0 557.820 5.855 1 0 KKAFRO C[C@@H](c1ccc(C(=O)c2ccccc2)cc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043532257 562649289 /nfs/dbraw/zinc/64/92/89/562649289.db2.gz YTFQQHHEZZQZGZ-SANMLTNESA-N 1 0 603.184 7.392 1 0 KKAFRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000043620359 562650225 /nfs/dbraw/zinc/65/02/25/562650225.db2.gz ZNMWOXHKUMOSNW-WJOKGBTCSA-N 1 0 621.226 5.176 1 0 KKAFRO C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000043889163 562651181 /nfs/dbraw/zinc/65/11/81/562651181.db2.gz SHJJWNZZBFZGIB-MTROAJBRSA-N 1 0 542.761 5.050 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(O)CC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044281565 562653131 /nfs/dbraw/zinc/65/31/31/562653131.db2.gz DPYBSRNXAWRENB-UHFFFAOYSA-N 1 0 624.713 5.752 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@]3(C)CCC[N@H+]3CC(C)C)ncn2)s1 ZINC000044305185 562653387 /nfs/dbraw/zinc/65/33/87/562653387.db2.gz BEXYIRSMMSBHSQ-LJAQVGFWSA-N 1 0 612.678 6.972 1 0 KKAFRO Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc(NC(=O)c3ccc(NCCNC(N)=[NH2+])c(-c4ccccc4)c3)cc2)cc1 ZINC000044305288 562653436 /nfs/dbraw/zinc/65/34/36/562653436.db2.gz LPABJXNRCANHCU-UHFFFAOYSA-N 1 0 596.779 7.325 1 0 KKAFRO O=C(O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1)c1ccccc1 ZINC000044306457 562653767 /nfs/dbraw/zinc/65/37/67/562653767.db2.gz SOBFYVRPTUPRPS-HKBQPEDESA-N 1 0 545.727 6.661 1 0 KKAFRO CC(=CC[n+]1cn(C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@@H]12 ZINC000044306979 562653888 /nfs/dbraw/zinc/65/38/88/562653888.db2.gz NNJSZZQHXOEUSF-ASNXGRPXSA-O 1 0 531.725 5.529 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000044307429 562653981 /nfs/dbraw/zinc/65/39/81/562653981.db2.gz DGQHZKPIIBXKQO-UHFFFAOYSA-N 1 0 606.554 6.419 1 0 KKAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC(C)C)CC(C)C)CC1 ZINC000044350873 562654422 /nfs/dbraw/zinc/65/44/22/562654422.db2.gz FGXQJHMIILSOPC-SSEXGKCCSA-N 1 0 574.637 7.096 1 0 KKAFRO COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3 ZINC000044352039 562654979 /nfs/dbraw/zinc/65/49/79/562654979.db2.gz FACPTWNXIVCGNY-KYJUHHDHSA-N 1 0 634.729 6.791 1 0 KKAFRO CCCC[C@H]1CN(S(=O)(=O)c2ccccc2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044352131 562655028 /nfs/dbraw/zinc/65/50/28/562655028.db2.gz JWEYWQITSUWJQD-MHZLTWQESA-N 1 0 581.827 5.071 1 0 KKAFRO O=C1N(CC[NH2+]C2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044352435 562655138 /nfs/dbraw/zinc/65/51/38/562655138.db2.gz SBLIYIIALWZVLS-UHFFFAOYSA-N 1 0 577.600 6.756 1 0 KKAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC2CC2)CC2CC2)CC1 ZINC000044358366 562655325 /nfs/dbraw/zinc/65/53/25/562655325.db2.gz BOJAUQCIFHEPGT-FIRIVFDPSA-N 1 0 572.621 6.455 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000044406142 562656823 /nfs/dbraw/zinc/65/68/23/562656823.db2.gz GSMNVYBDJYKVCY-NPLMNSEMSA-N 1 0 527.709 6.270 1 0 KKAFRO CC[N@H+](CCCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416917 562657032 /nfs/dbraw/zinc/65/70/32/562657032.db2.gz HEFQMXPMNNIPRC-UHFFFAOYSA-N 1 0 582.214 6.380 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657054 /nfs/dbraw/zinc/65/70/54/562657054.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 1 0 526.725 6.005 1 0 KKAFRO CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000044418652 562657344 /nfs/dbraw/zinc/65/73/44/562657344.db2.gz FVTAFOSCFIQSHW-TUMTZTIRSA-N 1 0 548.665 6.764 1 0 KKAFRO O=C(N[C@H]1CCN(Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431656 562657900 /nfs/dbraw/zinc/65/79/00/562657900.db2.gz HIMZSVHQBCOUSW-DEOSSOPVSA-N 1 0 617.415 6.804 1 0 KKAFRO O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(cccc3OC[C@@H]3CCCC[NH2+]3)c2-c2ccncc2)c1 ZINC000045166875 562657953 /nfs/dbraw/zinc/65/79/53/562657953.db2.gz IQZDLZLUHYHKBE-SANMLTNESA-N 1 0 518.621 6.228 1 0 KKAFRO CCCC[C@@H]([NH3+])COc1cccc2c(-c3ccncc3)c(-c3cccc(NC(=O)Nc4ccccc4)c3)nn21 ZINC000045168579 562658126 /nfs/dbraw/zinc/65/81/26/562658126.db2.gz DLCTVAZDKCXTQZ-XMMPIXPASA-N 1 0 520.637 6.604 1 0 KKAFRO O=C(NC[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169106 562658230 /nfs/dbraw/zinc/65/82/30/562658230.db2.gz QHRVZLGUVNELPH-QGZVFWFLSA-N 1 0 512.519 6.705 1 0 KKAFRO c1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(C[NH2+]CCN6CCOCC6)c5)ccc43)cc2)c1 ZINC000045186860 562658244 /nfs/dbraw/zinc/65/82/44/562658244.db2.gz ATZFFRWWKOWAGH-UHFFFAOYSA-N 1 0 531.660 6.255 1 0 KKAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5sccc5nc4C(F)(F)F)CC3)c2c1 ZINC000045187729 562658258 /nfs/dbraw/zinc/65/82/58/562658258.db2.gz HGMDYULYYUBCKT-QHCPKHFHSA-N 1 0 516.589 5.160 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000045187053 562658262 /nfs/dbraw/zinc/65/82/62/562658262.db2.gz KZOVUECIPIQHHN-IZZDOVSWSA-N 1 0 522.904 6.297 1 0 KKAFRO O=C(/C=C/c1ccc(Br)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045188663 562658307 /nfs/dbraw/zinc/65/83/07/562658307.db2.gz DNHNCKALBUEIIP-JXMROGBWSA-N 1 0 520.515 6.452 1 0 KKAFRO C[C@@H](c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045188511 562658362 /nfs/dbraw/zinc/65/83/62/562658362.db2.gz FOSHRTYAWBPJLF-IBGZPJMESA-N 1 0 510.531 5.483 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000045189753 562658454 /nfs/dbraw/zinc/65/84/54/562658454.db2.gz OEDVSFNVTADPCJ-MOAIHYDFSA-N 1 0 512.481 6.404 1 0 KKAFRO CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(NCCC[NH+](C)C)n1 ZINC000045190321 562658467 /nfs/dbraw/zinc/65/84/67/562658467.db2.gz BFFWOYWSQVMILS-UHFFFAOYSA-N 1 0 505.520 5.410 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@H]1CCC[C@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045191845 562658545 /nfs/dbraw/zinc/65/85/45/562658545.db2.gz KFTIZENUPDYMNE-NVRDVSHFSA-N 1 0 524.536 7.290 1 0 KKAFRO CCCCC[N@@H+]1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191188 562658589 /nfs/dbraw/zinc/65/85/89/562658589.db2.gz JXHFQTBGHGKBPZ-QFIPXVFZSA-N 1 0 511.610 5.281 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045191930 562658625 /nfs/dbraw/zinc/65/86/25/562658625.db2.gz FKFMWAPZMDBNNB-UHFFFAOYSA-N 1 0 509.437 5.940 1 0 KKAFRO Cc1[nH]c2ccccc2c1CC1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045194943 562658802 /nfs/dbraw/zinc/65/88/02/562658802.db2.gz MDBVXWXYNUWUEX-VQHVLOKHSA-N 1 0 524.536 6.990 1 0 KKAFRO CC(C)C[C@@H](C)NC(=O)[C@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045195353 562658899 /nfs/dbraw/zinc/65/88/99/562658899.db2.gz NUBLFVQCJUOKDV-JIPXPUAJSA-N 1 0 507.122 5.420 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NC1CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045201684 562659080 /nfs/dbraw/zinc/65/90/80/562659080.db2.gz RIAMPRYEHMJXKS-ORNRTLMXSA-N 1 0 543.752 6.437 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000045201800 562659085 /nfs/dbraw/zinc/65/90/85/562659085.db2.gz YUBQFPLKPBQTRE-FWPKSBLBSA-N 1 0 502.486 6.083 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000045202375 562659144 /nfs/dbraw/zinc/65/91/44/562659144.db2.gz OEFJWDXUFNYBHO-UHFFFAOYSA-N 1 0 526.637 5.026 1 0 KKAFRO O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202725 562659192 /nfs/dbraw/zinc/65/91/92/562659192.db2.gz NSQVTZMDHHVPBP-JOCHJYFZSA-N 1 0 503.021 5.207 1 0 KKAFRO O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202847 562659225 /nfs/dbraw/zinc/65/92/25/562659225.db2.gz CRTYVJVWHSONBI-SOFGYWHQSA-N 1 0 524.478 6.201 1 0 KKAFRO CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045227810 562659388 /nfs/dbraw/zinc/65/93/88/562659388.db2.gz MEMVYMCFYSLROY-UHFFFAOYSA-N 1 0 501.845 6.872 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3ccccc3c2O)CC1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000045229879 562659572 /nfs/dbraw/zinc/65/95/72/562659572.db2.gz IEKKIJRQXHVODD-UHFFFAOYSA-N 1 0 513.081 7.255 1 0 KKAFRO Cc1ccc(-c2c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)c(=O)n3c2CCCC3)cc1 ZINC000045288510 562660272 /nfs/dbraw/zinc/66/02/72/562660272.db2.gz VXTOWIQSQCYQME-UHFFFAOYSA-N 1 0 510.682 5.463 1 0 KKAFRO CC(C)(C)OC(=O)n1ccc2cc(C[NH2+]C[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290934 562660317 /nfs/dbraw/zinc/66/03/17/562660317.db2.gz QZHOOQCSGZGSKN-VWLOTQADSA-N 1 0 516.429 5.000 1 0 KKAFRO C[C@@H](Cc1ccc(NC(=O)c2ccc(NCCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045301340 562660481 /nfs/dbraw/zinc/66/04/81/562660481.db2.gz BTVHEOKUVMBMFK-DEOSSOPVSA-N 1 0 512.097 7.010 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[C@@H]1C[C@H]1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045301460 562660514 /nfs/dbraw/zinc/66/05/14/562660514.db2.gz UCGJTKPZYDHLSO-RJHAGTFBSA-N 1 0 510.509 6.900 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccccc3F)c3n(c2=O)CCCC3)CC1 ZINC000045318168 562660877 /nfs/dbraw/zinc/66/08/77/562660877.db2.gz CAMLKWZFCYIWSN-UHFFFAOYSA-N 1 0 528.672 5.602 1 0 KKAFRO CCCCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323498 562661156 /nfs/dbraw/zinc/66/11/56/562661156.db2.gz PRVWPDNOPRWOEL-IBGZPJMESA-N 1 0 511.610 5.138 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045320287 562660987 /nfs/dbraw/zinc/66/09/87/562660987.db2.gz ZBPAXTBKDMNFAU-UHFFFAOYSA-N 1 0 534.726 5.343 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CC1CC[NH+](CC(C)=O)CC1)c1ccccc1 ZINC000045322432 562661089 /nfs/dbraw/zinc/66/10/89/562661089.db2.gz POAFMNKBDQVSSX-PMERELPUSA-N 1 0 519.689 6.626 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(CCOC)C(=O)CCC(=O)c3ccc(OC)c(F)c3)cc2)nc1 ZINC000045322343 562661132 /nfs/dbraw/zinc/66/11/32/562661132.db2.gz LSMXEYICWZCPCB-UHFFFAOYSA-N 1 0 521.633 5.034 1 0 KKAFRO O=C(Nc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045324936 562661212 /nfs/dbraw/zinc/66/12/12/562661212.db2.gz CUQSTWNWWVJAGF-UHFFFAOYSA-N 1 0 501.630 7.172 1 0 KKAFRO O=c1c(-c2ccccc2F)c2n(c(=O)n1CCCC[NH+]1CCC(c3c[nH]c4ccccc43)CC1)CCCC2 ZINC000045325027 562661235 /nfs/dbraw/zinc/66/12/35/562661235.db2.gz UMOJTGPQCBYEJL-UHFFFAOYSA-N 1 0 514.645 5.294 1 0 KKAFRO Cc1nc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)c4cc5cccc(Cl)c5[nH]4)CC2)CC3)no1 ZINC000045325147 562661262 /nfs/dbraw/zinc/66/12/62/562661262.db2.gz BXIWNUVDRWAURS-UHFFFAOYSA-N 1 0 532.088 5.959 1 0 KKAFRO CC[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000045338006 562661448 /nfs/dbraw/zinc/66/14/48/562661448.db2.gz SSLDDKUPAOUXLL-AFESJLNVSA-N 1 0 537.145 5.124 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000045338113 562661503 /nfs/dbraw/zinc/66/15/03/562661503.db2.gz UUHTYFCHHNCGHH-UHFFFAOYSA-N 1 0 504.096 5.163 1 0 KKAFRO CCCCCCc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045357139 562661938 /nfs/dbraw/zinc/66/19/38/562661938.db2.gz AKHYQVJWINKNOW-UHFFFAOYSA-N 1 0 539.764 9.278 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCC[NH+]3CCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045372680 562662221 /nfs/dbraw/zinc/66/22/21/562662221.db2.gz UJYACQJRWYJEAI-UHFFFAOYSA-N 1 0 515.654 5.369 1 0 KKAFRO Cc1cc2nc(N3CCCC[C@@H]3C[NH+](C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384717 562662340 /nfs/dbraw/zinc/66/23/40/562662340.db2.gz LKPKWKNXRZOSEF-XMMPIXPASA-N 1 0 532.773 6.757 1 0 KKAFRO O=C(Cc1ccccc1)N(CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000045496563 562662687 /nfs/dbraw/zinc/66/26/87/562662687.db2.gz LAEOAKVXHHPUIC-UHFFFAOYSA-N 1 0 519.689 5.119 1 0 KKAFRO COc1cc2nc(N3CCCN(CC[NH+]4CCCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045498288 562662771 /nfs/dbraw/zinc/66/27/71/562662771.db2.gz MZMSTOZENSISQX-UHFFFAOYSA-N 1 0 525.097 5.042 1 0 KKAFRO CC(C)(C(=O)Nc1ccc(N2CCC3(CCC[N@H+](CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000048307352 562662992 /nfs/dbraw/zinc/66/29/92/562662992.db2.gz BFQIXAUJKUXPII-UHFFFAOYSA-N 1 0 548.093 7.368 1 0 KKAFRO COc1ccc(CC(=O)N[C@@H](CC[NH+]2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000048307393 562663088 /nfs/dbraw/zinc/66/30/88/562663088.db2.gz BITCAVWAYASRBK-MHZLTWQESA-N 1 0 646.637 5.614 1 0 KKAFRO CCCC[NH+](CCCC)CC[C@H](O)/C(=C/c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000048308790 562663113 /nfs/dbraw/zinc/66/31/13/562663113.db2.gz ZCTAXTJBDYYHSO-DIXABZHVSA-N 1 0 517.463 7.788 1 0 KKAFRO COc1ccc(NC(=O)c2csc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c2)cc1N1CC[NH+](C)CC1 ZINC000048308973 562663150 /nfs/dbraw/zinc/66/31/50/562663150.db2.gz PCEAXTIQDGMNER-UHFFFAOYSA-N 1 0 610.784 5.984 1 0 KKAFRO CCCC[C@H]1N(Cc2ccccc2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016918 562663298 /nfs/dbraw/zinc/66/32/98/562663298.db2.gz OVAAQBKFWMSBDM-MUUNZHRXSA-N 1 0 517.714 5.954 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000049034153 562663485 /nfs/dbraw/zinc/66/34/85/562663485.db2.gz DRKUAUJUSZGTGW-QXNWPYRLSA-N 1 0 511.739 6.392 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C ZINC000049048455 562663723 /nfs/dbraw/zinc/66/37/23/562663723.db2.gz PBDWKKSYCSLCRJ-UHFFFAOYSA-N 1 0 525.028 5.453 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4cccc5cc(C(F)(F)F)cnc54)CC3)CC2)c1 ZINC000049068710 562664008 /nfs/dbraw/zinc/66/40/08/562664008.db2.gz YMMDYYYQPNEQIT-UHFFFAOYSA-N 1 0 521.587 5.601 1 0 KKAFRO CN(C)c1ccc(CCCCCn2c3ccc(OCCc4ccc(O)cc4)cc3c3c2CC[C@@H]([NH3+])C3)cc1 ZINC000049071321 562664164 /nfs/dbraw/zinc/66/41/64/562664164.db2.gz DNNFZOSVIGWJPL-AREMUKBSSA-N 1 0 511.710 6.263 1 0 KKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2cccc(NC(C)=O)c2)CC3)cc1 ZINC000049089694 562664471 /nfs/dbraw/zinc/66/44/71/562664471.db2.gz JWVAOOHPEPQNQV-UHFFFAOYSA-N 1 0 505.684 5.389 1 0 KKAFRO Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)nc1OCc1c(Cl)cccc1Cl ZINC000049110574 562664538 /nfs/dbraw/zinc/66/45/38/562664538.db2.gz DUKXMVRXTBCVNH-FQEVSTJZSA-N 1 0 526.468 5.312 1 0 KKAFRO Cc1cc(C)c(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000049604917 562665071 /nfs/dbraw/zinc/66/50/71/562665071.db2.gz JLEHUNZWGGPSBR-PKNBQFBNSA-N 1 0 545.555 6.458 1 0 KKAFRO Cn1c2ccccc2c2c1CC[N@@H+](CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605009 562665229 /nfs/dbraw/zinc/66/52/29/562665229.db2.gz RJLGXVRLVXGYAW-JGCGQSQUSA-N 1 0 562.541 6.230 1 0 KKAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)c(F)c(N2CCCC2=O)c1 ZINC000049605053 562665252 /nfs/dbraw/zinc/66/52/52/562665252.db2.gz PXFIIQOMCJNZLW-MFMCTBQISA-N 1 0 575.725 5.141 1 0 KKAFRO C[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605159 562665429 /nfs/dbraw/zinc/66/54/29/562665429.db2.gz HDOPBXRWNOAGRK-UHFFFAOYSA-N 1 0 674.714 7.269 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(CCCO)c2)CC1 ZINC000049605173 562665454 /nfs/dbraw/zinc/66/54/54/562665454.db2.gz LJCMQQPJELRYQM-YDVOGMPMSA-N 1 0 571.549 5.272 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[C@H]([NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC[C@H]2C1 ZINC000049605157 562665456 /nfs/dbraw/zinc/66/54/56/562665456.db2.gz QBRFRPNTDXAEOT-TYQRDBLASA-N 1 0 536.547 7.385 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4cc5c(cc43)OCO5)CC2)CC1 ZINC000049605247 562665548 /nfs/dbraw/zinc/66/55/48/562665548.db2.gz PGCBGHFSYBIABH-DUXPYHPUSA-N 1 0 554.518 6.725 1 0 KKAFRO CC(C)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2cc(C[NH+]3CCCCC3)ccc21 ZINC000049605244 562665564 /nfs/dbraw/zinc/66/55/64/562665564.db2.gz KVWRJCBEVABMBZ-UHFFFAOYSA-N 1 0 733.847 9.681 1 0 KKAFRO CC[NH+](CC)CCCCNc1cc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccc3cc(OC)ccc3c2)ccn1 ZINC000049605329 562665668 /nfs/dbraw/zinc/66/56/68/562665668.db2.gz MCRUWWVVNHULLR-UHFFFAOYSA-N 1 0 588.583 8.808 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605327 562665703 /nfs/dbraw/zinc/66/57/03/562665703.db2.gz RHWPSRVVSFRADI-JMQWPVDRSA-N 1 0 611.441 7.532 1 0 KKAFRO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@H+](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605362 562665727 /nfs/dbraw/zinc/66/57/27/562665727.db2.gz LGRMYYUELOYAIG-NQPYUKKHSA-N 1 0 676.848 5.445 1 0 KKAFRO Oc1ccc(CCNc2nc(NCc3ccccc3Oc3ccc(C(F)(F)F)cc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049605375 562665807 /nfs/dbraw/zinc/66/58/07/562665807.db2.gz TYCTXTVVWHYJDN-UHFFFAOYSA-N 1 0 565.600 5.065 1 0 KKAFRO O=C(CCc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH2+]Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000049605431 562665850 /nfs/dbraw/zinc/66/58/50/562665850.db2.gz YYSGXDFICAKLTQ-DIPNUNPCSA-N 1 0 596.775 6.180 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3oc(-c4ccc(Cl)cc4)cc3CO)CC2)ccc2c1CCCC2 ZINC000049605456 562665900 /nfs/dbraw/zinc/66/59/00/562665900.db2.gz HJZMBHZFNNFLOS-UHFFFAOYSA-N 1 0 551.127 6.369 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000049605487 562665966 /nfs/dbraw/zinc/66/59/66/562665966.db2.gz KVYGZIWVFYENDO-WEVVVXLNSA-N 1 0 588.432 7.051 1 0 KKAFRO O=C(N[C@H](CCC[NH+]1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049605527 562666005 /nfs/dbraw/zinc/66/60/05/562666005.db2.gz YIWWKZYVHYEHKQ-HHHXNRCGSA-N 1 0 617.461 9.162 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049605583 562666043 /nfs/dbraw/zinc/66/60/43/562666043.db2.gz AORQSRDHRDBKEY-VZUCSPMQSA-N 1 0 567.561 7.001 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605681 562666206 /nfs/dbraw/zinc/66/62/06/562666206.db2.gz HIHJNXITECFVOS-GOTSBHOMSA-N 1 0 553.481 5.948 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)s2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049605786 562666368 /nfs/dbraw/zinc/66/63/68/562666368.db2.gz RONAJEJBMJJSHK-UHFFFAOYSA-N 1 0 649.207 7.212 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)c1 ZINC000049615512 562666652 /nfs/dbraw/zinc/66/66/52/562666652.db2.gz MAFUFEDZAYCCOR-CXPHJMNTSA-N 1 0 647.694 5.298 1 0 KKAFRO O=C(NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049615471 562666655 /nfs/dbraw/zinc/66/66/55/562666655.db2.gz WKWQTNVUORLIAM-UHFFFAOYSA-N 1 0 653.654 9.363 1 0 KKAFRO CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCC1=O ZINC000049625921 562666860 /nfs/dbraw/zinc/66/68/60/562666860.db2.gz SYPKAYWCBCMIME-IGYGKHONSA-N 1 0 574.810 5.764 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000049626018 562666926 /nfs/dbraw/zinc/66/69/26/562666926.db2.gz XFXUXDZQVQXCNK-WEVVVXLNSA-N 1 0 572.364 6.886 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626347 562667165 /nfs/dbraw/zinc/66/71/65/562667165.db2.gz ICTDNSCIVSSZQH-QHCPKHFHSA-N 1 0 590.568 6.632 1 0 KKAFRO CCCc1c(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000049626527 562667230 /nfs/dbraw/zinc/66/72/30/562667230.db2.gz SDQZLVIBEVKGDI-UHFFFAOYSA-N 1 0 627.060 8.435 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000049626559 562667252 /nfs/dbraw/zinc/66/72/52/562667252.db2.gz VEYRNVFGHAWMNB-RMKNXTFCSA-N 1 0 565.545 6.087 1 0 KKAFRO O=C(N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCCC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049626801 562667353 /nfs/dbraw/zinc/66/73/53/562667353.db2.gz XJYGKQLNURUKQG-SANMLTNESA-N 1 0 546.539 6.037 1 0 KKAFRO CC(C)[NH2+]C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049626910 562667386 /nfs/dbraw/zinc/66/73/86/562667386.db2.gz UVUHDBSVTKUVJF-UHFFFAOYSA-N 1 0 690.757 7.951 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cn1nc(Cl)c(N2CCC[NH2+]CC2)cc1=O ZINC000049627007 562667469 /nfs/dbraw/zinc/66/74/69/562667469.db2.gz NWMRTERWKMXPLD-UHFFFAOYSA-N 1 0 559.070 5.064 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(C)c2)CC1 ZINC000049639116 562667617 /nfs/dbraw/zinc/66/76/17/562667617.db2.gz VUHIYVFNMRSCJC-UHFFFAOYSA-N 1 0 586.951 6.449 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639086 562667626 /nfs/dbraw/zinc/66/76/26/562667626.db2.gz WBJZXUQDAVEAJL-SFTDATJTSA-N 1 0 569.936 6.462 1 0 KKAFRO CN(C(=O)/C=C/c1c(Cl)cccc1Cl)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639168 562667658 /nfs/dbraw/zinc/66/76/58/562667658.db2.gz ZKOBRTILHHSDME-JOWSBRCASA-N 1 0 597.414 7.236 1 0 KKAFRO O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049639707 562667769 /nfs/dbraw/zinc/66/77/69/562667769.db2.gz XPNGWXVMPJPEMO-UHFFFAOYSA-N 1 0 675.317 9.809 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049650022 562667945 /nfs/dbraw/zinc/66/79/45/562667945.db2.gz SOHVMVSZLPHQAP-SANMLTNESA-N 1 0 539.598 5.021 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049650231 562668029 /nfs/dbraw/zinc/66/80/29/562668029.db2.gz DBNURGUCIBRASG-PQQNNWGCSA-N 1 0 705.868 6.887 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049650210 562668027 /nfs/dbraw/zinc/66/80/27/562668027.db2.gz QOGMKCHLFNJYRM-OIDHKYIRSA-N 1 0 689.800 6.528 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049669685 562668138 /nfs/dbraw/zinc/66/81/38/562668138.db2.gz JETJWGUSWYCCER-MPQUPPDSSA-N 1 0 677.764 6.659 1 0 KKAFRO CN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668311 /nfs/dbraw/zinc/66/83/11/562668311.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 1 0 607.457 7.114 1 0 KKAFRO CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000049678683 562668609 /nfs/dbraw/zinc/66/86/09/562668609.db2.gz YTGOCWXNLVYIAS-QXTOHPMLSA-N 1 0 541.865 6.754 1 0 KKAFRO O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000049694478 562669359 /nfs/dbraw/zinc/66/93/59/562669359.db2.gz XLBQUYHGILHFJF-VXQMPNGUSA-N 1 0 542.461 6.371 1 0 KKAFRO FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1c1ccccc1)c2N1CC[NH+](C2CCCCC2)CC1 ZINC000049695037 562670141 /nfs/dbraw/zinc/67/01/41/562670141.db2.gz ZTFWSADDRRDSDQ-UHFFFAOYSA-N 1 0 538.643 6.245 1 0 KKAFRO O=C(CC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049695553 562670736 /nfs/dbraw/zinc/67/07/36/562670736.db2.gz ZKUDYKATSJZZEJ-DEOSSOPVSA-N 1 0 558.169 5.473 1 0 KKAFRO O=C(CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049709473 562671310 /nfs/dbraw/zinc/67/13/10/562671310.db2.gz KNKJQCHFWAWCLO-VWLOTQADSA-N 1 0 572.196 5.863 1 0 KKAFRO O=C(NCc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049709509 562671342 /nfs/dbraw/zinc/67/13/42/562671342.db2.gz SDBKADIGSPMMAF-UHFFFAOYSA-N 1 0 538.523 5.105 1 0 KKAFRO C[NH+]1CCN(Cc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)cc3)ccc2-c2ccccc2)CC1 ZINC000049710361 562671619 /nfs/dbraw/zinc/67/16/19/562671619.db2.gz XJXZHCYPYIWTPZ-UHFFFAOYSA-N 1 0 530.499 7.327 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000049710299 562671643 /nfs/dbraw/zinc/67/16/43/562671643.db2.gz XOEGUKZFISYJRD-UHFFFAOYSA-N 1 0 543.658 6.987 1 0 KKAFRO CC(C)NC(=O)Cn1cc(C2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c2ccccc21 ZINC000049710405 562671689 /nfs/dbraw/zinc/67/16/89/562671689.db2.gz QELCJDJGBUVZST-CSKARUKUSA-N 1 0 595.615 6.604 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CC[NH+]1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049710580 562671746 /nfs/dbraw/zinc/67/17/46/562671746.db2.gz WGHANYPPQUCIRO-UHFFFAOYSA-N 1 0 687.753 8.265 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710855 562671842 /nfs/dbraw/zinc/67/18/42/562671842.db2.gz NXBWPAZUEFONEN-DYKQPOOOSA-N 1 0 649.792 5.176 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710924 562671852 /nfs/dbraw/zinc/67/18/52/562671852.db2.gz WZXINJTXKIEZPD-KSEOMHKRSA-N 1 0 572.364 6.586 1 0 KKAFRO COc1cc(C(C)C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049710891 562671863 /nfs/dbraw/zinc/67/18/63/562671863.db2.gz IIHMNKPCZMFIAF-UHFFFAOYSA-N 1 0 562.154 7.114 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049710931 562671869 /nfs/dbraw/zinc/67/18/69/562671869.db2.gz VDHBNTOSNXJAHG-UXBLZVDNSA-N 1 0 588.432 7.005 1 0 KKAFRO O=C(Nc1ccc2ccccc2c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049710903 562671885 /nfs/dbraw/zinc/67/18/85/562671885.db2.gz CWASXGBLPWOOID-UHFFFAOYSA-N 1 0 586.765 7.574 1 0 KKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1C[NH+]1CCC(NC(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000049722558 562672184 /nfs/dbraw/zinc/67/21/84/562672184.db2.gz XNGKIRWVFZPRTN-QHCPKHFHSA-N 1 0 574.835 7.179 1 0 KKAFRO Cn1nc(-c2ccc(S(=O)(=O)N3CCC(CC[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)s2)cc1C(F)(F)F ZINC000049722601 562672299 /nfs/dbraw/zinc/67/22/99/562672299.db2.gz RMECRLKCNDBPLC-UHFFFAOYSA-N 1 0 605.752 6.319 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)c(F)c1F)CCC2 ZINC000049722725 562672411 /nfs/dbraw/zinc/67/24/11/562672411.db2.gz MTNPUVGXBBZYMR-UHFFFAOYSA-N 1 0 702.765 7.498 1 0 KKAFRO CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049722832 562672592 /nfs/dbraw/zinc/67/25/92/562672592.db2.gz GXTVZAVNOAHWGN-UHFFFAOYSA-N 1 0 610.105 5.961 1 0 KKAFRO Cc1nc2c(s1)c(=O)cc(CCc1cccc(F)c1F)n2CC(=O)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](C(C)C)CC1 ZINC000049722938 562672686 /nfs/dbraw/zinc/67/26/86/562672686.db2.gz FVPHZZFYLUPHSC-UHFFFAOYSA-N 1 0 722.824 8.417 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cccc(C(F)(F)F)c3)CCO2)CC1 ZINC000049723048 562672875 /nfs/dbraw/zinc/67/28/75/562672875.db2.gz RPUAMPNKURYVLZ-MGBGTMOVSA-N 1 0 677.595 8.070 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)cc(F)c1F ZINC000049723226 562673084 /nfs/dbraw/zinc/67/30/84/562673084.db2.gz VPDXIPJRCBYULN-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO Cc1c(Cn2ncc(N3C[C@H](C)[NH2+][C@@H](C)C3)c(Cl)c2=O)cccc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049744807 562673472 /nfs/dbraw/zinc/67/34/72/562673472.db2.gz REJOYDJLQJDQCA-SFTDATJTSA-N 1 0 557.098 5.751 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2ccc(F)c(F)c2F)nc(=O)c2cccnc21 ZINC000049744749 562673500 /nfs/dbraw/zinc/67/35/00/562673500.db2.gz DXKGMBGFIPCAQA-UHFFFAOYSA-N 1 0 695.708 7.050 1 0 KKAFRO COc1cc2c(cc1OCCN1CCC([NH+]3CCCCC3)CC1)N(C(=O)/C=C/c1ccccc1OC(F)(F)F)CC2 ZINC000049745447 562673872 /nfs/dbraw/zinc/67/38/72/562673872.db2.gz ZDGJZVVRIFAAAY-MDZDMXLPSA-N 1 0 573.656 5.525 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@H](NC(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049746034 562674215 /nfs/dbraw/zinc/67/42/15/562674215.db2.gz IWJLSJBNSKIEOP-SANMLTNESA-N 1 0 587.573 6.060 1 0 KKAFRO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCC1CCC(NC(=O)c3cc4cccc(Br)c4[nH]3)CC1)CC2 ZINC000049746242 562674329 /nfs/dbraw/zinc/67/43/29/562674329.db2.gz CRIDAXWUHFTOOK-UHFFFAOYSA-N 1 0 572.569 5.113 1 0 KKAFRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)o1)c1ccccc1 ZINC000049746724 562674577 /nfs/dbraw/zinc/67/45/77/562674577.db2.gz LZQKSLYUSQCUCN-LJAQVGFWSA-N 1 0 580.088 7.339 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCOc1cccc2[nH]c4ccccc4c21)CCc1cc2c(cc1-3)OCO2 ZINC000049757203 562675684 /nfs/dbraw/zinc/67/56/84/562675684.db2.gz XUBMQQVWKGHPMH-UHFFFAOYSA-N 1 0 531.588 6.180 1 0 KKAFRO [NH3+][C@@H](CNc1nc(Cl)nc(NCCNc2cnc3cc(Cl)ccc3c2)n1)c1ccnc2cc(Cl)ccc21 ZINC000049757285 562675853 /nfs/dbraw/zinc/67/58/53/562675853.db2.gz OMTGHNWQOFVZOS-FQEVSTJZSA-N 1 0 554.873 5.564 1 0 KKAFRO CC[NH+](CC)CCCNc1nccc(N(C)c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)n1 ZINC000049757350 562675894 /nfs/dbraw/zinc/67/58/94/562675894.db2.gz NDNBFELYIGNBEW-UHFFFAOYSA-N 1 0 533.574 6.190 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1(c3cccc(C(C)(C)C)c3)CCC1)Cc1cccc(c1)OCCCCN2 ZINC000049761861 562676141 /nfs/dbraw/zinc/67/61/41/562676141.db2.gz WTYHKZJTJZAMMO-SZAHLOSFSA-N 1 0 599.816 6.086 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000049766913 562677262 /nfs/dbraw/zinc/67/72/62/562677262.db2.gz KBJCTAIADOTYHC-UHFFFAOYSA-N 1 0 558.683 5.814 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000049768156 562677861 /nfs/dbraw/zinc/67/78/61/562677861.db2.gz NQHMMDRPRXVCLT-UHFFFAOYSA-N 1 0 556.692 5.381 1 0 KKAFRO CC[N@H+](C[C@@H](CC1CCCCC1)NC(=O)OCc1cncs1)C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1 ZINC000049774935 562678777 /nfs/dbraw/zinc/67/87/77/562678777.db2.gz LIXMKOKUEJGOKF-CLJLJLNGSA-N 1 0 605.871 6.752 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCC[C@@H]2CCC[NH2+]2)ncn1 ZINC000049775261 562678989 /nfs/dbraw/zinc/67/89/89/562678989.db2.gz PTTXMHGPBHSAPT-QHCPKHFHSA-N 1 0 600.649 6.693 1 0 KKAFRO CC[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049775294 562678994 /nfs/dbraw/zinc/67/89/94/562678994.db2.gz ICNXLCSJEDSWTK-IZZNHLLZSA-N 1 0 593.775 5.297 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCN2CC[NH+](C)CC2)ncn1 ZINC000049775395 562679033 /nfs/dbraw/zinc/67/90/33/562679033.db2.gz FILQIUCXPQZUON-UHFFFAOYSA-N 1 0 643.718 6.188 1 0 KKAFRO COc1cc2cccc3c2c(c1)C(=O)N(CC1CC[NH+](C[C@H](O)COc2cccc4[nH]c5ccccc5c42)CC1)C3=O ZINC000049775648 562679170 /nfs/dbraw/zinc/67/91/70/562679170.db2.gz SBAJMOUEQDPSIH-QHCPKHFHSA-N 1 0 563.654 5.231 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)OCc1ccccc1 ZINC000049775725 562679207 /nfs/dbraw/zinc/67/92/07/562679207.db2.gz MHODVJVESFLWQL-PMERELPUSA-N 1 0 565.755 5.604 1 0 KKAFRO O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049775769 562679247 /nfs/dbraw/zinc/67/92/47/562679247.db2.gz YQQLXSBICNXWQG-UHFFFAOYSA-N 1 0 547.143 6.986 1 0 KKAFRO C[C@H](c1ccc(C(=O)c2ccccc2)cc1OCCC[NH+]1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776244 562679294 /nfs/dbraw/zinc/67/92/94/562679294.db2.gz YHPYQGLAAHGHLS-XMMPIXPASA-N 1 0 639.164 7.670 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000049776345 562679357 /nfs/dbraw/zinc/67/93/57/562679357.db2.gz QZVKMTXFSIOGOY-WJOKGBTCSA-N 1 0 664.812 5.590 1 0 KKAFRO COc1cc(C(=O)N2COC[C@](CCCN3CCC([NH+]4CCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049777550 562680207 /nfs/dbraw/zinc/68/02/07/562680207.db2.gz WJWKWKOYTXMYKM-JGCGQSQUSA-N 1 0 620.618 5.728 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(N(Cc2ccc(C(C)(C)C)cc2)C(=O)c2ccc(Cc3ccccc3)cc2)cc1OC ZINC000049777582 562680274 /nfs/dbraw/zinc/68/02/74/562680274.db2.gz KYDQYKJBQRPTKA-UHFFFAOYSA-N 1 0 578.797 8.151 1 0 KKAFRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)OCc1ccccc1 ZINC000049780094 562681380 /nfs/dbraw/zinc/68/13/80/562681380.db2.gz SFSJTVOKHPBMPF-FHUFWJHVSA-N 1 0 650.901 7.361 1 0 KKAFRO O=C(Nc1ccc(Br)c(Cl)c1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049780334 562681642 /nfs/dbraw/zinc/68/16/42/562681642.db2.gz BXXQIVVJIYKTQE-UHFFFAOYSA-N 1 0 530.816 6.438 1 0 KKAFRO CN1CC[NH+](Cc2ccc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2)CC1 ZINC000049780440 562681730 /nfs/dbraw/zinc/68/17/30/562681730.db2.gz BUZOTBWJKYSTEL-UHFFFAOYSA-N 1 0 570.619 6.082 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049780555 562681911 /nfs/dbraw/zinc/68/19/11/562681911.db2.gz ZEPHLNBTTWLPPY-JSAVKQRWSA-N 1 0 573.686 5.904 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)[C@@H]2CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780761 562682147 /nfs/dbraw/zinc/68/21/47/562682147.db2.gz AEZOKRGSPAENOS-GOOPYHEFSA-N 1 0 627.867 5.954 1 0 KKAFRO [NH3+]CC[C@H](CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 ZINC000049780823 562682300 /nfs/dbraw/zinc/68/23/00/562682300.db2.gz SJQLWFYLRHHGAF-OAQYLSRUSA-N 1 0 595.945 7.950 1 0 KKAFRO Cc1cc(Cl)c(OCCCc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781109 562682664 /nfs/dbraw/zinc/68/26/64/562682664.db2.gz HHFNUPNPOFOJPD-HSZRJFAPSA-N 1 0 594.410 7.929 1 0 KKAFRO CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781268 562682858 /nfs/dbraw/zinc/68/28/58/562682858.db2.gz LDJHYSRTVHXITO-HHHXNRCGSA-N 1 0 645.071 7.254 1 0 KKAFRO C[NH+](C)CCNc1cc(-c2cc3nccc(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)n3n2)ccn1 ZINC000049781294 562682881 /nfs/dbraw/zinc/68/28/81/562682881.db2.gz JJZMISIQDYXLAI-UHFFFAOYSA-N 1 0 545.569 5.703 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCCCC5)c(OC)cc43)ccc2s1 ZINC000049802690 562685870 /nfs/dbraw/zinc/68/58/70/562685870.db2.gz GVHYMVCGJYEXAI-UHFFFAOYSA-N 1 0 520.655 6.028 1 0 KKAFRO O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)C(=O)CN3)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000049807770 562686478 /nfs/dbraw/zinc/68/64/78/562686478.db2.gz SNQUEHZOAZZJIV-QHCPKHFHSA-N 1 0 564.517 5.715 1 0 KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823276 562687140 /nfs/dbraw/zinc/68/71/40/562687140.db2.gz CPNBSBOGRZLYDZ-UHFFFAOYSA-N 1 0 681.322 5.666 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3cccc4ccccc43)Cc3cccc4ccccc43)cc2)cc1-c1ccccc1 ZINC000049841553 562688495 /nfs/dbraw/zinc/68/84/95/562688495.db2.gz OGRRBBPSFUIYFS-UHFFFAOYSA-N 1 0 668.845 9.014 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049844793 562688622 /nfs/dbraw/zinc/68/86/22/562688622.db2.gz PSHKQRKZPLDLPG-UHFFFAOYSA-N 1 0 681.322 5.666 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867655 562689618 /nfs/dbraw/zinc/68/96/18/562689618.db2.gz QVHYASLLUGSFEA-FRXPANAUSA-N 1 0 527.709 5.804 1 0 KKAFRO [NH3+]C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000049867765 562689666 /nfs/dbraw/zinc/68/96/66/562689666.db2.gz PQASUWRZUBDZDW-AWEZNQCLSA-N 1 0 523.378 5.373 1 0 KKAFRO O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)Nc1cc(C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000049878023 562690421 /nfs/dbraw/zinc/69/04/21/562690421.db2.gz YXEIECLOAMHVCH-UHFFFAOYSA-N 1 0 547.632 6.061 1 0 KKAFRO O=C1C[C@@](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000049881610 562690980 /nfs/dbraw/zinc/69/09/80/562690980.db2.gz FBZOHKINQDHYRF-WJOKGBTCSA-N 1 0 577.556 5.482 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049898153 562692279 /nfs/dbraw/zinc/69/22/79/562692279.db2.gz GYHFAWCGOCYIPE-UHFFFAOYSA-N 1 0 714.821 8.196 1 0 KKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049908050 562693409 /nfs/dbraw/zinc/69/34/09/562693409.db2.gz HMEZDNOIJCPGQZ-UHFFFAOYSA-N 1 0 552.563 7.329 1 0 KKAFRO Cc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC2CC2)c1 ZINC000049908046 562693413 /nfs/dbraw/zinc/69/34/13/562693413.db2.gz OTSOHZNRGXGVFC-UHFFFAOYSA-N 1 0 574.165 7.079 1 0 KKAFRO COc1cc(C(=O)NCCc2cc3ccccc3[nH]2)ccc1OC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000049917718 562693775 /nfs/dbraw/zinc/69/37/75/562693775.db2.gz MCRLSZXLCGBRPK-UHFFFAOYSA-N 1 0 573.737 6.824 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000049917700 562693778 /nfs/dbraw/zinc/69/37/78/562693778.db2.gz LCOORGOJQLVBCB-UHFFFAOYSA-N 1 0 524.572 5.230 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049917732 562693810 /nfs/dbraw/zinc/69/38/10/562693810.db2.gz DWBLHACNFWYUBD-MGBGTMOVSA-N 1 0 600.631 6.926 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049917752 562693853 /nfs/dbraw/zinc/69/38/53/562693853.db2.gz MFJYHTYQPQYULD-UHFFFAOYSA-N 1 0 614.230 7.650 1 0 KKAFRO COc1ccc(CC(=O)N[C@H](CC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000049917795 562693892 /nfs/dbraw/zinc/69/38/92/562693892.db2.gz DUYRVOCUMIXJGB-GDLZYMKVSA-N 1 0 537.531 6.772 1 0 KKAFRO CC[N@@H+]1CC[C@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049917865 562693999 /nfs/dbraw/zinc/69/39/99/562693999.db2.gz WDQWQNOQDURTBH-PMERELPUSA-N 1 0 691.766 8.381 1 0 KKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(CCN6CCOCC6)CC5)c4)cc3)nc2c1 ZINC000049917871 562694107 /nfs/dbraw/zinc/69/41/07/562694107.db2.gz PSNLCDNYYPPULE-UHFFFAOYSA-N 1 0 549.641 5.366 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCc1cccnc1 ZINC000049917926 562694140 /nfs/dbraw/zinc/69/41/40/562694140.db2.gz DHZFWMLIJXJIIT-UHFFFAOYSA-N 1 0 625.213 7.573 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000049917971 562694253 /nfs/dbraw/zinc/69/42/53/562694253.db2.gz DIURPLJNGKEPCI-BQHJZSHBSA-N 1 0 557.349 6.951 1 0 KKAFRO COCC[N@H+](C)CCCOc1cc2c(cc1OC)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049918000 562694267 /nfs/dbraw/zinc/69/42/67/562694267.db2.gz USMWVHDMUJVVGK-UHFFFAOYSA-N 1 0 592.640 5.139 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1csc(-c2cccc(Cl)c2Cl)n1 ZINC000049918027 562694297 /nfs/dbraw/zinc/69/42/97/562694297.db2.gz HCGDZADTQBAXJR-UHFFFAOYSA-N 1 0 567.586 7.766 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@H]3CCC[N@@H+]3C)cc21 ZINC000049918079 562694416 /nfs/dbraw/zinc/69/44/16/562694416.db2.gz YPAALVSCLPQHDI-JGCGQSQUSA-N 1 0 703.752 7.882 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918112 562694455 /nfs/dbraw/zinc/69/44/55/562694455.db2.gz RLEGSRXMQFKDBA-DYKQPOOOSA-N 1 0 665.860 5.644 1 0 KKAFRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)o1)c1ccccc1 ZINC000049918105 562694470 /nfs/dbraw/zinc/69/44/70/562694470.db2.gz MYPFYAQWYHZGFS-GDLZYMKVSA-N 1 0 563.633 6.824 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(=O)C(F)(F)F)cc4)cc3)CC2)ccc2c1CCCC2 ZINC000049918119 562694524 /nfs/dbraw/zinc/69/45/24/562694524.db2.gz MMYLSNUIHXZWJE-UHFFFAOYSA-N 1 0 592.702 7.376 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3c2CCCC3)CC1 ZINC000049918155 562694531 /nfs/dbraw/zinc/69/45/31/562694531.db2.gz KJELKMMJZHAFEK-UHFFFAOYSA-N 1 0 691.785 7.989 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049918188 562694614 /nfs/dbraw/zinc/69/46/14/562694614.db2.gz JTAHYYOBBIBHIK-WEVVVXLNSA-N 1 0 539.454 5.857 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[NH3+])ncn1 ZINC000049925434 562694741 /nfs/dbraw/zinc/69/47/41/562694741.db2.gz PTWXGAHPCIQUHL-UHFFFAOYSA-N 1 0 560.584 5.899 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 ZINC000053025963 562696139 /nfs/dbraw/zinc/69/61/39/562696139.db2.gz IEMSLTPIYQZIGD-UHFFFAOYSA-N 1 0 539.935 6.689 1 0 KKAFRO CS(=O)(=O)N(CC1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000053098920 562696276 /nfs/dbraw/zinc/69/62/76/562696276.db2.gz WUSQQOCSYQHDPX-LJAQVGFWSA-N 1 0 604.600 5.373 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000053229366 562696653 /nfs/dbraw/zinc/69/66/53/562696653.db2.gz SBDZVNNWAFISGT-PMERELPUSA-N 1 0 574.766 5.271 1 0 KKAFRO CCCCN1C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053230792 562696693 /nfs/dbraw/zinc/69/66/93/562696693.db2.gz VOTLOSHWWAQODX-PMERELPUSA-N 1 0 569.702 5.074 1 0 KKAFRO CCCCN1C(=O)[C@@H](CC2CCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244106 562696835 /nfs/dbraw/zinc/69/68/35/562696835.db2.gz UXLNBKFAMFLHQY-MUUNZHRXSA-N 1 0 503.687 5.521 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc21 ZINC000053281978 562697156 /nfs/dbraw/zinc/69/71/56/562697156.db2.gz RDCUCMDUDZPOOV-UHFFFAOYSA-N 1 0 514.678 5.155 1 0 in-vitro KKAFRO CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053314209 562697640 /nfs/dbraw/zinc/69/76/40/562697640.db2.gz YGJHTISTFGWVLW-SANMLTNESA-N 1 0 547.637 6.257 1 0 KKAFRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000058482505 562698082 /nfs/dbraw/zinc/69/80/82/562698082.db2.gz HUCKKBDXVQDXSC-SDDUWZMOSA-N 1 0 565.780 5.291 1 0 KKAFRO CCCN1c2ccccc2C(C2CCCCC2)=N[C@H](NC(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1=O ZINC000058564039 562699446 /nfs/dbraw/zinc/69/94/46/562699446.db2.gz BGQKMAPKUALMFZ-MGBGTMOVSA-N 1 0 584.809 6.415 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058581939 562699890 /nfs/dbraw/zinc/69/98/90/562699890.db2.gz YBRMHQRKWICRPX-RUZDIDTESA-N 1 0 606.034 7.384 1 0 KKAFRO CS(=O)(=O)CCn1c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058582844 562700001 /nfs/dbraw/zinc/70/00/01/562700001.db2.gz GCJWVHHCXCAOLA-UHFFFAOYSA-N 1 0 666.071 5.773 1 0 KKAFRO CC(=O)NC(C)(C)[C@@H]1OC2(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000058591695 562700502 /nfs/dbraw/zinc/70/05/02/562700502.db2.gz YYCCWOBZNRVRNZ-SWFBWHSRSA-N 1 0 630.176 5.625 1 0 KKAFRO CCCC[NH+]1CCN(C(=O)[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000058693174 562701568 /nfs/dbraw/zinc/70/15/68/562701568.db2.gz NYLWZZQAUICEQU-NPDCQTKCSA-N 1 0 717.789 5.121 1 0 KKAFRO O=C(C1CCCCC1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000059686581 562702134 /nfs/dbraw/zinc/70/21/34/562702134.db2.gz HMIOKDUCMSQBKY-SSEXGKCCSA-N 1 0 529.552 6.898 1 0 KKAFRO CCC[C@@H]1C[C@H]([N@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O ZINC000059778756 562702249 /nfs/dbraw/zinc/70/22/49/562702249.db2.gz KIORFJWRSNTHMK-WOLFRULKSA-N 1 0 567.697 5.244 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796293 562702292 /nfs/dbraw/zinc/70/22/92/562702292.db2.gz LSIDHJBKTOAZTN-FSOZDLKISA-N 1 0 568.639 7.576 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000059796426 562702333 /nfs/dbraw/zinc/70/23/33/562702333.db2.gz FGNVWFVQBRWEIN-OWGSQAEBSA-N 1 0 567.651 8.181 3 0 KKAFRO COc1ccccc1[C@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)c1ccccn1 ZINC000061895723 562702888 /nfs/dbraw/zinc/70/28/88/562702888.db2.gz SNDFWWDPMZJTJO-SANMLTNESA-N 1 0 514.453 5.394 3 0 KKAFRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061903054 562702966 /nfs/dbraw/zinc/70/29/66/562702966.db2.gz MMSCUXAIYVHNAD-LJAQVGFWSA-N 1 0 517.094 7.312 3 0 KKAFRO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906344 562703009 /nfs/dbraw/zinc/70/30/09/562703009.db2.gz WXGJVXKVWKQHHE-MUUNZHRXSA-N 1 0 503.568 6.371 3 0 KKAFRO O=C(N[C@H](c1cccs1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906324 562703020 /nfs/dbraw/zinc/70/30/20/562703020.db2.gz ZSEWTBNATVPXNT-SANMLTNESA-N 1 0 509.597 6.433 3 0 KKAFRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064436753 562705224 /nfs/dbraw/zinc/70/52/24/562705224.db2.gz OKXYKSQQZLCBJK-GOTSBHOMSA-N 1 0 512.621 5.203 1 0 KKAFRO CCCCn1c2ccccc2c2cc(CNCCC[NH+](CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064448504 562705536 /nfs/dbraw/zinc/70/55/36/562705536.db2.gz UOMCHSRSDXKBJQ-UHFFFAOYSA-N 1 0 532.729 6.504 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453590 562705628 /nfs/dbraw/zinc/70/56/28/562705628.db2.gz GWZWYWRLKFPZBS-MXVRANJGSA-N 1 0 515.661 6.112 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2cn[nH]n2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513162 562706305 /nfs/dbraw/zinc/70/63/05/562706305.db2.gz VHZRLOCLGKGRGG-WEWMWRJBSA-N 1 0 610.193 6.884 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@]3(O)CC[NH2+]C[C@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513763 562706492 /nfs/dbraw/zinc/70/64/92/562706492.db2.gz BUELDWWCLYPLID-QPQHGXMVSA-N 1 0 597.583 6.365 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)ccc1C ZINC000064526903 562706694 /nfs/dbraw/zinc/70/66/94/562706694.db2.gz UXWPTWPEVCXUAG-UHFFFAOYSA-N 1 0 540.712 6.347 1 0 KKAFRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064540509 562707752 /nfs/dbraw/zinc/70/77/52/562707752.db2.gz LCEDLVNAZPHDLS-QHCPKHFHSA-N 1 0 502.684 5.480 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)N(CCC[NH3+])C(C)C ZINC000064540501 562707759 /nfs/dbraw/zinc/70/77/59/562707759.db2.gz YQIHHSYCDLVGOQ-UHFFFAOYSA-N 1 0 540.712 6.475 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2ccc(Br)c(C(C)(C)C)c2)CCCCC1 ZINC000064548338 562707786 /nfs/dbraw/zinc/70/77/86/562707786.db2.gz PTURBKWZTAUMDP-IZZNHLLZSA-N 1 0 551.516 5.882 1 0 KKAFRO COc1cc(C(C)(C)C)cc(C2([NH2+]C[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 ZINC000064548572 562707847 /nfs/dbraw/zinc/70/78/47/562707847.db2.gz TXALSADLOJSTLV-RRPNLBNLSA-N 1 0 502.646 5.128 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cc(Br)cc(C(C)(C)C)c2)CCCCC1 ZINC000064548608 562707882 /nfs/dbraw/zinc/70/78/82/562707882.db2.gz DERLAZDOEXCWNL-IZZNHLLZSA-N 1 0 551.516 5.882 1 0 KKAFRO COc1ccccc1CN(C)C(=O)[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCC(NC(C)=O)(c2ccccc2)CC1 ZINC000066066196 562709320 /nfs/dbraw/zinc/70/93/20/562709320.db2.gz BDROXNCOLLNVCM-CMVGPNDKSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066439 562709377 /nfs/dbraw/zinc/70/93/77/562709377.db2.gz YETKRYBVNARESA-XYFQYJLHSA-N 1 0 582.547 6.176 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074416 562709779 /nfs/dbraw/zinc/70/97/79/562709779.db2.gz HHPXXUVAVCXMQF-HKBQPEDESA-N 1 0 631.652 6.909 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 ZINC000066075100 562709930 /nfs/dbraw/zinc/70/99/30/562709930.db2.gz RHAYOMZUUNTCTB-LJAQVGFWSA-N 1 0 548.643 5.011 1 0 KKAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@@H+]2CCC[C@@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075876 562710027 /nfs/dbraw/zinc/71/00/27/562710027.db2.gz SZNLBOGTJLMSEB-POUUTPHOSA-N 1 0 586.688 5.508 1 0 KKAFRO CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CC[NH+](CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000066076359 562710145 /nfs/dbraw/zinc/71/01/45/562710145.db2.gz PRUZMBQKWACJQU-MHZLTWQESA-N 1 0 623.585 6.339 1 0 KKAFRO CCc1nc(Cc2ccccc2)cn1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097304 562710766 /nfs/dbraw/zinc/71/07/66/562710766.db2.gz NVLXALPQAJFRPI-LJAQVGFWSA-N 1 0 556.776 5.826 1 0 KKAFRO O=C(CC[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066097754 562710814 /nfs/dbraw/zinc/71/08/14/562710814.db2.gz QYBOAAZIUWOUMW-VWLOTQADSA-N 1 0 538.483 5.588 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099070 562711064 /nfs/dbraw/zinc/71/10/64/562711064.db2.gz FJASHILMBMXOEQ-AYWVHJORSA-N 1 0 570.586 6.099 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099077 562711070 /nfs/dbraw/zinc/71/10/70/562711070.db2.gz TVOHRYCZUZVYDP-SETSBSEESA-N 1 0 570.586 6.099 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099068 562711072 /nfs/dbraw/zinc/71/10/72/562711072.db2.gz FJASHILMBMXOEQ-HLADLETHSA-N 1 0 570.586 6.099 1 0 KKAFRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCCc2c[nH]c(N)[nH+]2)nn1)CCc1ccccn1 ZINC000066101389 562711344 /nfs/dbraw/zinc/71/13/44/562711344.db2.gz OUEBZQNNVCJOOC-ZSUPJWAMSA-N 1 0 620.887 7.027 1 0 KKAFRO CC(C)c1ccc(-c2ccc(NC(=O)[C@@H](NCC[NH+]3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101595 562711384 /nfs/dbraw/zinc/71/13/84/562711384.db2.gz BYWHBBZUWYOAJA-YBOCLADASA-N 1 0 615.822 7.466 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCOCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000066102342 562711422 /nfs/dbraw/zinc/71/14/22/562711422.db2.gz JOGWFVJXSCTYFV-UHFFFAOYSA-N 1 0 529.728 5.078 1 0 in-vivo KKAFRO COc1ccccc1-c1c(=O)n(CCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c(=O)n2c1CCCC2 ZINC000066103808 562711610 /nfs/dbraw/zinc/71/16/10/562711610.db2.gz QDIIXOKIKZJLBZ-UHFFFAOYSA-N 1 0 526.681 5.163 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2cccc([C@@H](C)N(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000066104053 562711673 /nfs/dbraw/zinc/71/16/73/562711673.db2.gz SIPOPCCIDZIEBA-HSZRJFAPSA-N 1 0 521.727 6.341 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3ccc(OC4CC[NH+](C)CC4)cc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066104966 562711759 /nfs/dbraw/zinc/71/17/59/562711759.db2.gz BNJAETMQKIKKSN-SFHVURJKSA-N 1 0 538.570 5.756 1 0 KKAFRO Cc1ccccc1N1CC[NH+](CCCCOc2ccc3c(=O)cc(-c4ccc(Cl)cc4)oc3c2)CC1 ZINC000066112625 562712059 /nfs/dbraw/zinc/71/20/59/562712059.db2.gz IDAIUZRELPARKL-UHFFFAOYSA-N 1 0 503.042 6.403 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000066112932 562712151 /nfs/dbraw/zinc/71/21/51/562712151.db2.gz JFKRRSJQKDTYKH-LJAQVGFWSA-N 1 0 550.615 5.536 1 0 KKAFRO CC[C@@]1(c2ccc(COc3cccc(CC[NH+]4CCCC4)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113835 562712243 /nfs/dbraw/zinc/71/22/43/562712243.db2.gz YBJPKIBCADIDIQ-XIFFEERXSA-N 1 0 506.646 6.575 1 0 KKAFRO CCC(=O)N(CCCCCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000066113949 562712300 /nfs/dbraw/zinc/71/23/00/562712300.db2.gz KBCZJJANDBLWLP-UHFFFAOYSA-N 1 0 501.756 6.188 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066113993 562712311 /nfs/dbraw/zinc/71/23/11/562712311.db2.gz WNPHLDLXBWNIPR-YRCZKMHPSA-N 1 0 642.036 6.660 3 0 KKAFRO CCC(=O)N(CCCCCCCCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000066122909 562712396 /nfs/dbraw/zinc/71/23/96/562712396.db2.gz WSOSSXKWFYXKSH-UHFFFAOYSA-N 1 0 543.837 7.358 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138364 562713295 /nfs/dbraw/zinc/71/32/95/562713295.db2.gz GDJZYFWFJVXXLZ-ZLESDFJESA-N 1 0 630.025 6.429 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066148490 562713646 /nfs/dbraw/zinc/71/36/46/562713646.db2.gz NLDQNXPJJNOIIK-BRUQSJHLSA-N 1 0 578.713 5.353 3 0 KKAFRO CCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066148935 562713720 /nfs/dbraw/zinc/71/37/20/562713720.db2.gz YZUXHOREZMQYCG-UHFFFAOYSA-N 1 0 521.727 5.148 1 0 KKAFRO 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 ZINC000066157076 562713898 /nfs/dbraw/zinc/71/38/98/562713898.db2.gz QDRBVCQGVAHXBS-JQASONJCSA-N 1 0 641.813 5.392 3 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccccc2)nc(Nc2cccc(Nc3ccnc4cc(Cl)ccc43)c2)n1 ZINC000066167171 562714266 /nfs/dbraw/zinc/71/42/66/562714266.db2.gz FMIZXUGFADJEEA-UHFFFAOYSA-N 1 0 554.102 7.058 1 0 KKAFRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066259432 562715255 /nfs/dbraw/zinc/71/52/55/562715255.db2.gz NXLQPOGSCFFLAD-SZPZYZBQSA-N 1 0 596.753 5.837 1 0 KKAFRO O=C(C[C@@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087523 562715759 /nfs/dbraw/zinc/71/57/59/562715759.db2.gz QQTTXXWIKKBHGS-SSEXGKCCSA-N 1 0 637.564 6.148 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000068246652 562716144 /nfs/dbraw/zinc/71/61/44/562716144.db2.gz XQJYPYVXYANJRR-MYVCOICNSA-N 1 0 662.054 6.590 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCC5(CC4)OCC(C)(C)CO5)CC3)no2)cc1 ZINC000068247156 562716163 /nfs/dbraw/zinc/71/61/63/562716163.db2.gz FOACLFPMOSAAMH-UHFFFAOYSA-N 1 0 620.747 5.517 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4cccnc4)CC3)C(C)(C)C2)cc1 ZINC000070631588 562716459 /nfs/dbraw/zinc/71/64/59/562716459.db2.gz KFRSZZULQFGVFW-ICTSCBFQSA-N 1 0 525.737 6.544 1 0 KKAFRO CCCCN(CCCC)c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071294571 562716913 /nfs/dbraw/zinc/71/69/13/562716913.db2.gz URISGIHVZPWUFS-UHFFFAOYSA-N 1 0 572.730 5.945 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317351 562718206 /nfs/dbraw/zinc/71/82/06/562718206.db2.gz ORHJRDFXSAZUJC-HFJWLAOPSA-N 1 0 581.466 6.843 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318500 562718524 /nfs/dbraw/zinc/71/85/24/562718524.db2.gz GWAWCEXQGCBEJE-XRHLQHRESA-N 1 0 626.006 5.881 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318568 562718544 /nfs/dbraw/zinc/71/85/44/562718544.db2.gz JVEPBRRLJSYTHH-DNOBIOAJSA-N 1 0 598.468 7.587 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C3CC[NH+](CCCn4c5ccccc5nc4-c4ccc(Cl)cc4)CC3)c2)cc1 ZINC000071318923 562718713 /nfs/dbraw/zinc/71/87/13/562718713.db2.gz GWLJYMYPXWBAOY-UHFFFAOYSA-N 1 0 563.145 8.187 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071319258 562718751 /nfs/dbraw/zinc/71/87/51/562718751.db2.gz QGZPBSFUMWAXER-WINIVTDRSA-N 1 0 580.478 7.448 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccnc2)c2ccc(Br)cc2)CC1 ZINC000071319298 562718787 /nfs/dbraw/zinc/71/87/87/562718787.db2.gz JEKXFKCNNKNGAU-QYBDOPJKSA-N 1 0 592.365 6.587 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000071329309 562718895 /nfs/dbraw/zinc/71/88/95/562718895.db2.gz YEPHDGFKVQDXBN-DWXRJYCRSA-N 1 0 592.365 6.587 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000071329612 562718950 /nfs/dbraw/zinc/71/89/50/562718950.db2.gz DYAJAGSJIXWNAW-RBJSKKJNSA-N 1 0 519.085 6.738 1 0 KKAFRO Cc1cccc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071330057 562719058 /nfs/dbraw/zinc/71/90/58/562719058.db2.gz YJMPQXVFNAVTQP-XHCCPWGMSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330043 562719087 /nfs/dbraw/zinc/71/90/87/562719087.db2.gz NKCYWBUHTRUFPD-HXUWFJFHSA-N 1 0 590.393 6.831 1 0 KKAFRO C[N@H+](CC[C@@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330138 562719101 /nfs/dbraw/zinc/71/91/01/562719101.db2.gz KROSHEKWTTXFGB-XMMPIXPASA-N 1 0 512.500 6.547 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330694 562719179 /nfs/dbraw/zinc/71/91/79/562719179.db2.gz GGPDSNHLDADOIF-RPLLCQBOSA-N 1 0 523.073 5.444 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330568 562719189 /nfs/dbraw/zinc/71/91/89/562719189.db2.gz JTKFCLXNXUKHRI-XHCCPWGMSA-N 1 0 591.377 7.192 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](O)c2ccc(Br)cc2)CC1 ZINC000071330886 562719200 /nfs/dbraw/zinc/71/92/00/562719200.db2.gz SBVFNLJIIJHIAV-SPLOXXLWSA-N 1 0 515.279 5.105 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3)CC2)c1 ZINC000071330930 562719245 /nfs/dbraw/zinc/71/92/45/562719245.db2.gz OOQXIKNUUFVXBE-UHFFFAOYSA-N 1 0 515.101 7.221 1 0 KKAFRO O=C(OCc1cn([C@@H]2C[N@@H+](CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072104493 562720483 /nfs/dbraw/zinc/72/04/83/562720483.db2.gz CXQUFXAIHBRRMW-VJGNERBWSA-N 1 0 509.050 5.218 1 0 KKAFRO 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 ZINC000072105157 562720698 /nfs/dbraw/zinc/72/06/98/562720698.db2.gz HJLIQEBRJUVETG-SPWOZAQASA-N 1 0 720.021 6.031 3 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCC[n+]1ccn(Cc2ccc(F)cc2F)c1 ZINC000072105185 562720726 /nfs/dbraw/zinc/72/07/26/562720726.db2.gz ZVYGXJKZSLHGIY-UHFFFAOYSA-N 1 0 525.373 5.094 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCC(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107087 562721192 /nfs/dbraw/zinc/72/11/92/562721192.db2.gz JHPRPEBDIVGFOI-LXQNXJGFSA-N 1 0 642.275 7.587 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)(C)CO)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110225 562721794 /nfs/dbraw/zinc/72/17/94/562721794.db2.gz UUINUJQWNMVWJH-GKRYNVPLSA-N 1 0 658.274 6.702 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)C[NH+]2CCCCC2)c(OC(C)C)c1 ZINC000072113432 562722356 /nfs/dbraw/zinc/72/23/56/562722356.db2.gz GYKYDSMPLXRLJJ-IOWSJCHKSA-N 1 0 580.556 7.347 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)C[NH+]2CCCCC2)c(OC(C)C)c1 ZINC000072113431 562722358 /nfs/dbraw/zinc/72/23/58/562722358.db2.gz GYKYDSMPLXRLJJ-FIRIVFDPSA-N 1 0 580.556 7.347 1 0 KKAFRO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072113823 562722489 /nfs/dbraw/zinc/72/24/89/562722489.db2.gz IYLTTYPBTAYEBL-RSQQNEHOSA-N 1 0 574.772 6.943 1 0 KKAFRO CC[NH+](CC)CCC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072114328 562722693 /nfs/dbraw/zinc/72/26/93/562722693.db2.gz LBLRSOPWKXGTPC-CONSDPRKSA-N 1 0 582.572 7.593 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccc(Cl)cc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072116370 562723104 /nfs/dbraw/zinc/72/31/04/562723104.db2.gz NGLKSVAOSNSXCK-QHCPKHFHSA-N 1 0 509.075 5.410 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000072116880 562723266 /nfs/dbraw/zinc/72/32/66/562723266.db2.gz QKUTWAZQTVUFOW-JOCHJYFZSA-N 1 0 544.599 5.347 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2ccccc2c1 ZINC000072117071 562723323 /nfs/dbraw/zinc/72/33/23/562723323.db2.gz GQFFESFGERZVLE-SANMLTNESA-N 1 0 510.663 5.602 1 0 KKAFRO CC[C@@H](c1nc2sc(Cl)c(Br)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072118208 562723430 /nfs/dbraw/zinc/72/34/30/562723430.db2.gz CCRVQJPLDRGNNP-FQEVSTJZSA-N 1 0 587.971 6.173 1 0 KKAFRO [NH3+]CCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118248 562723469 /nfs/dbraw/zinc/72/34/69/562723469.db2.gz SYGFNXGOOYJBGO-UHFFFAOYSA-N 1 0 518.461 6.531 1 0 KKAFRO CC[C@H](c1nc2sc(Cl)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072118527 562723539 /nfs/dbraw/zinc/72/35/39/562723539.db2.gz MZKDGAGNFUCKHV-JOCHJYFZSA-N 1 0 509.075 5.410 1 0 KKAFRO C[N@@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072122037 562724321 /nfs/dbraw/zinc/72/43/21/562724321.db2.gz QRMADVQLXBNEPI-UHFFFAOYSA-N 1 0 587.634 6.720 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123633 562724770 /nfs/dbraw/zinc/72/47/70/562724770.db2.gz BEGFCGPNILKSKQ-NLGDKJDOSA-N 1 0 633.447 7.344 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072124322 562725032 /nfs/dbraw/zinc/72/50/32/562725032.db2.gz LRORJSKSVZGRTN-BUEREQSYSA-N 1 0 573.553 5.017 3 0 KKAFRO O=S(=O)(Nc1ccc(C[C@H]2CC[C@@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126800 562725440 /nfs/dbraw/zinc/72/54/40/562725440.db2.gz CVNUDPVQPWCUGZ-YUJJRVTMSA-N 1 0 649.760 7.693 1 0 KKAFRO Cc1c(C(=O)NCC2CCC(C[NH3+])CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072126931 562725534 /nfs/dbraw/zinc/72/55/34/562725534.db2.gz SAZOOZOCEZSXGN-UHFFFAOYSA-N 1 0 505.877 6.303 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127030 562725651 /nfs/dbraw/zinc/72/56/51/562725651.db2.gz RYDIFBSRXOKUDD-WISKXVKBSA-N 1 0 730.057 6.233 3 0 KKAFRO CC(C)c1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccccc21 ZINC000072127861 562725948 /nfs/dbraw/zinc/72/59/48/562725948.db2.gz UCWPSBYOOUABCX-WJOKGBTCSA-N 1 0 534.704 6.302 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131723 562726852 /nfs/dbraw/zinc/72/68/52/562726852.db2.gz DJRCLEMZCMTTDS-DNOBIOAJSA-N 1 0 648.475 8.467 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131725 562726874 /nfs/dbraw/zinc/72/68/74/562726874.db2.gz DJRCLEMZCMTTDS-CLYVBNDRSA-N 1 0 648.475 8.467 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000072132844 562726959 /nfs/dbraw/zinc/72/69/59/562726959.db2.gz JJNPXDAXMNUAFE-JODYMCNTSA-N 1 0 720.902 6.334 1 0 KKAFRO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134220 562727281 /nfs/dbraw/zinc/72/72/81/562727281.db2.gz JMUQRGSDGTXYBZ-SPWOZAQASA-N 1 0 726.069 6.759 3 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072135775 562727550 /nfs/dbraw/zinc/72/75/50/562727550.db2.gz JVYPBTFUSNVQST-WISKXVKBSA-N 1 0 670.005 6.129 3 0 KKAFRO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135852 562727596 /nfs/dbraw/zinc/72/75/96/562727596.db2.gz ROVGVQKXMAMTLO-BQYLNSIHSA-N 1 0 712.042 6.369 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072136132 562727789 /nfs/dbraw/zinc/72/77/89/562727789.db2.gz OMPYFAIFRLVIFJ-DNHJLFCISA-N 1 0 621.741 5.895 3 0 KKAFRO COc1cccc(C[N@H+](C)C[C@@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000072139444 562728930 /nfs/dbraw/zinc/72/89/30/562728930.db2.gz DIYZUOHLOSFTTI-OXYPMYLPSA-N 1 0 555.719 5.344 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000072139640 562729025 /nfs/dbraw/zinc/72/90/25/562729025.db2.gz LELBVVXWCNYFBB-IHLWBQKJSA-N 1 0 645.797 5.595 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072140745 562729148 /nfs/dbraw/zinc/72/91/48/562729148.db2.gz GYVMMSZRDNYAJW-GJBCSVNNSA-N 1 0 635.988 5.932 3 0 KKAFRO O[C@@H](CNCC[NH+](C1CCCCC1)C1CCCCC1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072140938 562729208 /nfs/dbraw/zinc/72/92/08/562729208.db2.gz QLHYHVQTKZMFAO-QHCPKHFHSA-N 1 0 531.585 6.863 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000072140876 562729217 /nfs/dbraw/zinc/72/92/17/562729217.db2.gz JXVCNLJRMRUZKV-MJZSVGSSSA-N 1 0 681.852 5.144 3 0 KKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000072141399 562729385 /nfs/dbraw/zinc/72/93/85/562729385.db2.gz RBEJTLCACQCGRS-SANMLTNESA-N 1 0 532.899 6.347 3 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072141711 562729430 /nfs/dbraw/zinc/72/94/30/562729430.db2.gz VSOPVNLTBVGPHU-GJBCSVNNSA-N 1 0 635.988 5.932 3 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(C(=O)c6cccc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072141542 562729439 /nfs/dbraw/zinc/72/94/39/562729439.db2.gz BUTTWWYFNFRLHD-FGPHBKPNSA-N 1 0 560.701 5.806 1 0 KKAFRO CC[C@H](c1nc2sc(Br)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072142282 562729536 /nfs/dbraw/zinc/72/95/36/562729536.db2.gz FVESJFWSPQDOHX-JOCHJYFZSA-N 1 0 553.526 5.520 1 0 KKAFRO O=C(NC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)c1ccccc1C(F)(F)F ZINC000072142627 562729567 /nfs/dbraw/zinc/72/95/67/562729567.db2.gz MPXDLKZXTLQOEJ-HSZRJFAPSA-N 1 0 507.478 6.103 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000072142668 562729595 /nfs/dbraw/zinc/72/95/95/562729595.db2.gz JTUCFEJWRAFYDC-JOCHJYFZSA-N 1 0 528.600 5.467 1 0 KKAFRO Clc1ccc2c(c1)nc1c(c2NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)Cc2ccccc2-1 ZINC000072142812 562729643 /nfs/dbraw/zinc/72/96/43/562729643.db2.gz QUXSCHHIUKJGMX-UHFFFAOYSA-N 1 0 595.618 10.014 1 0 KKAFRO COc1cc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144109 562729717 /nfs/dbraw/zinc/72/97/17/562729717.db2.gz KYSNZZSMILMJBY-ROJLCIKYSA-N 1 0 695.857 6.581 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)cn1 ZINC000072147744 562729844 /nfs/dbraw/zinc/72/98/44/562729844.db2.gz GPRLYCHBUQXMSR-SXOMAYOGSA-N 1 0 662.058 6.666 1 0 KKAFRO O=S(=O)(Nc1ccc2c(c1)c1c[nH+]ccc1n2S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072149507 562730086 /nfs/dbraw/zinc/73/00/86/562730086.db2.gz XDXIZYSAZWQXMZ-UHFFFAOYSA-N 1 0 621.332 5.752 1 0 KKAFRO C[NH+](C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1C(F)(F)F ZINC000073199958 562736067 /nfs/dbraw/zinc/73/60/67/562736067.db2.gz KFJDFQDPJGBOJE-UHFFFAOYSA-N 1 0 505.997 6.349 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172004 562730558 /nfs/dbraw/zinc/73/05/58/562730558.db2.gz JSMYFJXDBDPWRP-DEOSSOPVSA-N 1 0 528.605 5.511 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH2+]CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171931 562730577 /nfs/dbraw/zinc/73/05/77/562730577.db2.gz OXYZHFWSNIKIBZ-UHFFFAOYSA-N 1 0 514.578 5.169 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4C[NH+]4CCCC4)cc3OC(F)(F)F)nc1-2 ZINC000072176257 562731543 /nfs/dbraw/zinc/73/15/43/562731543.db2.gz WZZWJWWPQJVGAJ-HHHXNRCGSA-N 1 0 716.809 6.695 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4C[NH+]4CCCC4)cc3OC)nc1-2 ZINC000072178494 562732053 /nfs/dbraw/zinc/73/20/53/562732053.db2.gz LTKUHPWNVCRTSA-MUUNZHRXSA-N 1 0 662.839 5.805 1 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOc1cccc2c1CCC[C@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000072178710 562732168 /nfs/dbraw/zinc/73/21/68/562732168.db2.gz UURFZZFDFAUPEO-HKBQPEDESA-N 1 0 676.968 6.430 1 0 KKAFRO CN(C)C(=O)c1cccc(NC(=O)c2ccc(OCCC[NH+]3CCCC3)cc2OCc2ccccc2)c1 ZINC000072179953 562732487 /nfs/dbraw/zinc/73/24/87/562732487.db2.gz BEQORNOGSDCKII-UHFFFAOYSA-N 1 0 501.627 5.084 1 0 KKAFRO Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000072181233 562732644 /nfs/dbraw/zinc/73/26/44/562732644.db2.gz LEOYSIFOGSUSDO-XZIGRVIRSA-N 1 0 641.621 5.754 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccncc3)cc2)oc2ccccc12 ZINC000072317932 562733209 /nfs/dbraw/zinc/73/32/09/562733209.db2.gz XJBHLZRGGRUZBY-UHFFFAOYSA-N 1 0 724.810 7.622 1 0 KKAFRO O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318469 562733264 /nfs/dbraw/zinc/73/32/64/562733264.db2.gz GHTSQNCNYKPRQH-ZZXHUEHTSA-N 1 0 568.943 5.988 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1ccc(F)cn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318471 562733294 /nfs/dbraw/zinc/73/32/94/562733294.db2.gz GZCPBKYTXSPNQJ-WTVRZORLSA-N 1 0 586.933 6.127 1 0 KKAFRO CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073156780 562733841 /nfs/dbraw/zinc/73/38/41/562733841.db2.gz RZGMTOUZICFOSQ-JWDVHEBFSA-N 1 0 621.769 5.192 1 0 KKAFRO O=C(N[C@H](COCc1ccccc1)C(=O)N[C@H]1C[NH+]2CCC1CC2)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000073166945 562734541 /nfs/dbraw/zinc/73/45/41/562734541.db2.gz CJULAJSWQHZFAG-LOSJGSFVSA-N 1 0 603.041 5.072 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073167411 562734597 /nfs/dbraw/zinc/73/45/97/562734597.db2.gz UUGJQIZGOJTKRM-WJOKGBTCSA-N 1 0 552.690 5.788 1 0 KKAFRO O=C(CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCN(C(=O)c1ccccc1)CC2 ZINC000073196258 562735094 /nfs/dbraw/zinc/73/50/94/562735094.db2.gz ZIYJTXYUZSCVHR-UHFFFAOYSA-N 1 0 515.097 6.424 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073196377 562735122 /nfs/dbraw/zinc/73/51/22/562735122.db2.gz YRDBYJNFZJBXNY-HKBQPEDESA-N 1 0 534.700 5.649 1 0 KKAFRO C[NH+](C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 ZINC000073198463 562735752 /nfs/dbraw/zinc/73/57/52/562735752.db2.gz ZOGKILKEYWBJEA-UHFFFAOYSA-N 1 0 533.536 5.544 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4cc(C)ccc4c3=O)CC2)c1 ZINC000073220717 562736242 /nfs/dbraw/zinc/73/62/42/562736242.db2.gz IBZBJTNMIVRHAR-UHFFFAOYSA-N 1 0 529.084 6.253 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4ccccc4c3=O)CC2)c1 ZINC000073224304 562736623 /nfs/dbraw/zinc/73/66/23/562736623.db2.gz JSBHQOJTHCQAQJ-UHFFFAOYSA-N 1 0 549.502 6.598 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000073224334 562736672 /nfs/dbraw/zinc/73/66/72/562736672.db2.gz YKQYCTMUTTZAIB-AREMUKBSSA-N 1 0 502.018 5.260 1 0 KKAFRO Cn1cc(-c2ccc(C[NH+]3CCC4(CC3)O[C@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)cn1 ZINC000073291783 562737517 /nfs/dbraw/zinc/73/75/17/562737517.db2.gz HJYIIXLZZZMLKU-HHHXNRCGSA-N 1 0 505.449 6.400 1 0 KKAFRO COC(=O)CCCCC[NH2+]CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000081179580 562738883 /nfs/dbraw/zinc/73/88/83/562738883.db2.gz HSKAFUVXXYVWSZ-ZWWVIQJBSA-N 1 0 529.806 7.236 1 0 KKAFRO CC(C)c1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136616 562738919 /nfs/dbraw/zinc/73/89/19/562738919.db2.gz ULBFCXWATFSYAH-XIFFEERXSA-N 1 0 703.812 6.426 1 0 KKAFRO CCCOc1cccc2c1C[NH2+][C@@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@H](C)CC)C1=O)C2 ZINC000082139821 562739244 /nfs/dbraw/zinc/73/92/44/562739244.db2.gz UNHYCLXMUBLSOA-QPGGVYTHSA-N 1 0 718.886 5.011 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140232 562739422 /nfs/dbraw/zinc/73/94/22/562739422.db2.gz RTTAIAHOSBNNAG-AJYQFPBQSA-N 1 0 706.847 5.568 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]C4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140475 562739441 /nfs/dbraw/zinc/73/94/41/562739441.db2.gz BNEOQGQIDGGDLZ-GDLZYMKVSA-N 1 0 673.041 5.556 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082152196 562740012 /nfs/dbraw/zinc/74/00/12/562740012.db2.gz GDBCMTDZMLTMSZ-MGBGTMOVSA-N 1 0 635.636 5.796 1 0 KKAFRO COc1ccc(C[C@@H]2CC(=O)N(c3ccccc3C(=O)OC[C@H]3CCC[N@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000082153452 562740186 /nfs/dbraw/zinc/74/01/86/562740186.db2.gz UNYHZMFOWCLOMI-WUFINQPMSA-N 1 0 554.687 5.319 1 0 KKAFRO CCOC(=O)Nc1nc(N[C@@H](C)CCC[NH+](CC)CC)c2c(n1)S[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153675 562740229 /nfs/dbraw/zinc/74/02/29/562740229.db2.gz QPAPXDIFCXITEA-HFZDXXHNSA-N 1 0 546.741 6.935 1 0 KKAFRO COC(=O)c1ccc(N(Cc2ccccc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000082154130 562740267 /nfs/dbraw/zinc/74/02/67/562740267.db2.gz LRBNIEPMSKOVLH-OAQYLSRUSA-N 1 0 569.533 5.855 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000082153903 562740312 /nfs/dbraw/zinc/74/03/12/562740312.db2.gz JCLZEXPXKYRGIV-SFHVURJKSA-N 1 0 506.607 6.036 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3cccc(F)c3)c(F)c2)CC1 ZINC000082155149 562740458 /nfs/dbraw/zinc/74/04/58/562740458.db2.gz JYIOHHMCRSLEOY-UHFFFAOYSA-N 1 0 518.568 6.016 1 0 KKAFRO CSc1ccc(-c2nn(CCC[NH+]3CCC(c4cccc(NC(C)=O)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000082157681 562740969 /nfs/dbraw/zinc/74/09/69/562740969.db2.gz KUJVSGCQMWXWPP-UHFFFAOYSA-N 1 0 526.706 6.014 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCCC3)[nH]nc21 ZINC000084596860 562743843 /nfs/dbraw/zinc/74/38/43/562743843.db2.gz QHKIPJGWHPLRLD-WJOKGBTCSA-N 1 0 593.732 5.795 1 0 KKAFRO CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000084604735 562744306 /nfs/dbraw/zinc/74/43/06/562744306.db2.gz VQWIBYWSNJDFMM-UHFFFAOYSA-N 1 0 503.594 5.076 1 0 KKAFRO CCC[C@H](O)[C@H](C[N@H+](Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616323 562744619 /nfs/dbraw/zinc/74/46/19/562744619.db2.gz NAEPLFSVLMJEKM-NSOVKSMOSA-N 1 0 621.745 5.138 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2nc4ccccc4s2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084619778 562745295 /nfs/dbraw/zinc/74/52/95/562745295.db2.gz ATHHBZPCKLUBMD-UHFFFAOYSA-N 1 0 575.666 6.822 1 0 KKAFRO O=C(NCCCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084632496 562745565 /nfs/dbraw/zinc/74/55/65/562745565.db2.gz HLLTYAHEUKVLCF-UHFFFAOYSA-N 1 0 553.747 7.963 1 0 KKAFRO Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1C ZINC000084634873 562745973 /nfs/dbraw/zinc/74/59/73/562745973.db2.gz FJYKKDSINJTGDP-JGCGQSQUSA-N 1 0 592.765 5.628 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084634917 562745975 /nfs/dbraw/zinc/74/59/75/562745975.db2.gz VJCLFCDNANYOIO-UHFFFAOYSA-N 1 0 579.107 5.467 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CC[NH+](C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)NCCC[NH+](C)C ZINC000084652021 562746377 /nfs/dbraw/zinc/74/63/77/562746377.db2.gz YUXINZAJBCZCCX-SNCSUOKWSA-N 1 0 742.847 6.572 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653369 562746839 /nfs/dbraw/zinc/74/68/39/562746839.db2.gz DVSVXYKXZWWKJP-WMELESEDSA-N 1 0 659.810 5.815 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000084654053 562747172 /nfs/dbraw/zinc/74/71/72/562747172.db2.gz LUIPBUGZNLTUHZ-UHFFFAOYSA-N 1 0 666.786 7.050 1 0 KKAFRO C[C@H](Oc1cc(-c2nc(-c3cc(C[NH+](C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655411 562747469 /nfs/dbraw/zinc/74/74/69/562747469.db2.gz BXNYUDMLUGTVPR-HNNXBMFYSA-N 1 0 541.599 5.774 1 0 KKAFRO Cc1n[nH]cc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084669686 562748054 /nfs/dbraw/zinc/74/80/54/562748054.db2.gz YAUSWTKLGZTLTH-XIFFEERXSA-N 1 0 582.793 7.363 1 0 KKAFRO Cn1cc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cn1 ZINC000084670405 562748292 /nfs/dbraw/zinc/74/82/92/562748292.db2.gz OMNJRDJYVSDTRG-XIFFEERXSA-N 1 0 582.793 7.065 1 0 KKAFRO CCCCCC[C@H](C[NH+]1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084670535 562748310 /nfs/dbraw/zinc/74/83/10/562748310.db2.gz LOLZEDSJRXPDOV-AREMUKBSSA-N 1 0 501.067 6.096 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084670703 562748354 /nfs/dbraw/zinc/74/83/54/562748354.db2.gz LFJIXCYCPAPDRN-PZUNEJSGSA-N 1 0 542.074 5.646 1 0 KKAFRO COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)N1C ZINC000084670872 562748422 /nfs/dbraw/zinc/74/84/22/562748422.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 1 0 638.761 6.523 1 0 KKAFRO CC(C)(C)c1cc(CN2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671288 562748543 /nfs/dbraw/zinc/74/85/43/562748543.db2.gz SZDPJIDXSCBQEQ-HHHXNRCGSA-N 1 0 590.843 9.069 1 0 KKAFRO CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084689675 562749377 /nfs/dbraw/zinc/74/93/77/562749377.db2.gz ARQRVZLTAYIRAS-ZEVJAHDQSA-N 1 0 606.755 5.790 1 0 KKAFRO O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084690692 562749743 /nfs/dbraw/zinc/74/97/43/562749743.db2.gz XQQODFXEFSPXTA-UUWRZZSWSA-N 1 0 634.825 5.431 1 0 KKAFRO Cc1ccc(C[N@H+](CCCOc2ccc(Br)cc2)C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706904 562750043 /nfs/dbraw/zinc/75/00/43/562750043.db2.gz NMAPRFKGBGQHBH-MUUNZHRXSA-N 1 0 571.466 5.486 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccc(-c5ncccn5)cc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710703 562750576 /nfs/dbraw/zinc/75/05/76/562750576.db2.gz VMBVYIUKVXLQTB-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cccnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084711156 562750634 /nfs/dbraw/zinc/75/06/34/562750634.db2.gz DSIICHITQDHXRE-MGBGTMOVSA-N 1 0 562.073 6.969 1 0 KKAFRO Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000084723428 562751064 /nfs/dbraw/zinc/75/10/64/562751064.db2.gz XSJWMYWMOTWCAL-NDEPHWFRSA-N 1 0 502.977 6.046 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc2C(F)(F)F)CC1 ZINC000084723398 562751075 /nfs/dbraw/zinc/75/10/75/562751075.db2.gz OFRVOUXNNFZCAX-ITYLOYPMSA-N 1 0 586.618 6.274 1 0 KKAFRO Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)c(F)c1 ZINC000084723433 562751090 /nfs/dbraw/zinc/75/10/90/562751090.db2.gz NQESPVWTXKDFFE-NDEPHWFRSA-N 1 0 520.967 6.185 1 0 KKAFRO CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084741991 562752218 /nfs/dbraw/zinc/75/22/18/562752218.db2.gz WYIDDZWJJNBWTK-IMSXRSKXSA-N 1 0 578.701 5.154 1 0 KKAFRO CCCC[C@H](C[NH+]1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084759393 562752886 /nfs/dbraw/zinc/75/28/86/562752886.db2.gz MNYSWZUJUHSRKV-JOCHJYFZSA-N 1 0 507.458 5.969 1 0 KKAFRO COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(=O)n(-c3ccccc3)n(C)c2[C@@H]2CCC[NH2+]2)cc1F ZINC000084759486 562752937 /nfs/dbraw/zinc/75/29/37/562752937.db2.gz JLKHWWQNUUOAOS-DEOSSOPVSA-N 1 0 553.594 5.341 1 0 KKAFRO CC(C)(C)c1cc(CN2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084759503 562752974 /nfs/dbraw/zinc/75/29/74/562752974.db2.gz AMMLIKZUXHUTJS-UHFFFAOYSA-N 1 0 576.816 8.776 1 0 KKAFRO CC(C)(C)c1cc(C(=O)N2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084759504 562753002 /nfs/dbraw/zinc/75/30/02/562753002.db2.gz ZUOJOEMYFVKOPG-UHFFFAOYSA-N 1 0 590.799 8.416 1 0 KKAFRO C[NH2+]CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000086024101 562753436 /nfs/dbraw/zinc/75/34/36/562753436.db2.gz NDGJXFQQCGZNIA-UHFFFAOYSA-N 1 0 616.148 5.312 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2 ZINC000088260761 562753496 /nfs/dbraw/zinc/75/34/96/562753496.db2.gz GDLSQNRDPMUWOH-RPLLCQBOSA-N 1 0 537.553 5.439 1 0 KKAFRO C[C@H](NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095539338 562754999 /nfs/dbraw/zinc/75/49/99/562754999.db2.gz QHMWQKQYCKXRJJ-GSHOFJDWSA-N 1 0 757.781 5.968 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 ZINC000095539555 562755145 /nfs/dbraw/zinc/75/51/45/562755145.db2.gz XLHSSBIQAHXJLK-OFYPAOGQSA-N 1 0 760.858 5.575 1 0 KKAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NCc3ccc(Cl)c(Cl)c3)C(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000095539798 562755281 /nfs/dbraw/zinc/75/52/81/562755281.db2.gz UURUKANCDQGSCH-UHFFFAOYSA-N 1 0 769.690 6.329 1 0 KKAFRO NC(=[NH2+])c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(OC3CCN(C(=[NH2+])NCc4ccccc4)CC3)cc1)n2CC(=O)NC1CCCCC1 ZINC000095539863 562755307 /nfs/dbraw/zinc/75/53/07/562755307.db2.gz PTGFKMBNAFMLHT-UHFFFAOYSA-N 1 0 783.934 5.882 1 0 KKAFRO CC(C)C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000095540416 562755714 /nfs/dbraw/zinc/75/57/14/562755714.db2.gz KSTGYGUALIWURS-JSQBRMMTSA-N 1 0 794.949 8.219 1 0 KKAFRO COc1ccc([C@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095541729 562756277 /nfs/dbraw/zinc/75/62/77/562756277.db2.gz IPQSEKMUUNQIQD-USYZEHPZSA-N 1 0 764.895 7.036 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccc(Cl)cc3)C(=O)O[C@@]21C ZINC000095542003 562756455 /nfs/dbraw/zinc/75/64/55/562756455.db2.gz AUOXYTLDKDIVOC-JBSIADLXSA-N 1 0 736.347 5.290 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095542028 562756470 /nfs/dbraw/zinc/75/64/70/562756470.db2.gz KBPBCEDQPUACDU-VQJSHJPSSA-N 1 0 759.908 5.023 1 0 KKAFRO COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000095542212 562756561 /nfs/dbraw/zinc/75/65/61/562756561.db2.gz GPQMZEWRRBFAKD-VOTSOKGWSA-N 1 0 756.826 9.575 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2ccc3cccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095543029 562757059 /nfs/dbraw/zinc/75/70/59/562757059.db2.gz OGHXQDIBWDSMKI-AIODKQKWSA-N 1 0 765.945 5.110 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095543149 562757098 /nfs/dbraw/zinc/75/70/98/562757098.db2.gz WJEAYMAHIVBPGF-WBCKFURZSA-N 1 0 773.733 8.325 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)CC[N@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095548764 562759471 /nfs/dbraw/zinc/75/94/71/562759471.db2.gz ILJPDTWUECJVGE-UHFFFAOYSA-N 1 0 776.887 6.194 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2ccnc3ccccc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095549248 562759863 /nfs/dbraw/zinc/75/98/63/562759863.db2.gz JEMLZSNXUMMPHZ-ONLVEXIXSA-N 1 0 765.945 5.110 1 0 KKAFRO c1ccc(CSc2ccccc2CN2CCN(Cc3ccccc3SCc3ccccc3)CC[NH+](Cc3ccccc3SCc3ccccc3)CC2)cc1 ZINC000095550300 562760100 /nfs/dbraw/zinc/76/01/00/562760100.db2.gz LXONLVWXARGQIB-UHFFFAOYSA-N 1 0 766.158 11.384 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000095551958 562760493 /nfs/dbraw/zinc/76/04/93/562760493.db2.gz SFRMSUNIWUEEAA-UHFFFAOYSA-N 1 0 772.859 7.576 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H]([NH3+])CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553368 562760941 /nfs/dbraw/zinc/76/09/41/562760941.db2.gz ATLHHAOOYRUXSA-ARJZQDQASA-N 1 0 801.053 6.126 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCO)CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 ZINC000095554817 562761347 /nfs/dbraw/zinc/76/13/47/562761347.db2.gz NUWYOVCGBQZGEQ-UHFFFAOYSA-N 1 0 677.750 6.019 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555913 562761645 /nfs/dbraw/zinc/76/16/45/562761645.db2.gz BGXSBQPQELZHHE-UHFFFAOYSA-N 1 0 848.436 7.834 1 0 KKAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4Cl)cc(OCc4ccccc4Cl)c3)oc2c1 ZINC000095556555 562761792 /nfs/dbraw/zinc/76/17/92/562761792.db2.gz CQUHMJWXIKUART-SANMLTNESA-N 1 0 648.583 8.053 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCCCO[N+](=O)[O-] ZINC000095557595 562762143 /nfs/dbraw/zinc/76/21/43/562762143.db2.gz KSXDOJVIZJSREQ-HTXNQAPBSA-N 1 0 590.721 6.291 1 0 KKAFRO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000095559307 562762708 /nfs/dbraw/zinc/76/27/08/562762708.db2.gz VALXHTYNSBIIKC-ABENWPRUSA-N 1 0 518.745 7.761 1 0 KKAFRO CCCCc1sc(-c2ccc(OCCCN3CC[NH+](C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559991 562762966 /nfs/dbraw/zinc/76/29/66/562762966.db2.gz ZZCMDTGVSVSYGD-UHFFFAOYSA-N 1 0 576.206 8.282 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccc(F)c(F)c3)cc2)oc2ccccc12 ZINC000095561277 562763328 /nfs/dbraw/zinc/76/33/28/562763328.db2.gz RZZJDMPKFKWUHK-UHFFFAOYSA-N 1 0 759.802 8.505 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(N)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095561682 562763464 /nfs/dbraw/zinc/76/34/64/562763464.db2.gz WTHKDEWRPCCPQH-UHFFFAOYSA-N 1 0 540.615 5.349 1 0 KKAFRO CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@H]1C[NH2+]CCO1)C4(C)C ZINC000095563738 562764063 /nfs/dbraw/zinc/76/40/63/562764063.db2.gz OROSZCCUMJYWBT-USKWDMPSSA-N 1 0 616.884 5.512 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095564529 562764346 /nfs/dbraw/zinc/76/43/46/562764346.db2.gz ISYWMCSQLOVTPH-SBCJZHDBSA-N 1 0 643.829 5.078 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095565252 562764579 /nfs/dbraw/zinc/76/45/79/562764579.db2.gz NFAXCMDMUUMVRW-SGBCODJCSA-N 1 0 666.863 7.411 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566358 562764919 /nfs/dbraw/zinc/76/49/19/562764919.db2.gz HMCLAGFKTYIJCB-IKTKBOKFSA-N 1 0 648.726 6.784 1 0 KKAFRO 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 ZINC000095566363 562764959 /nfs/dbraw/zinc/76/49/59/562764959.db2.gz LZRMYYQDLQFCEK-LFINAOHFSA-N 1 0 728.809 7.006 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566519 562765086 /nfs/dbraw/zinc/76/50/86/562765086.db2.gz OFYJPRSBIVOGOZ-GVNDJSPXSA-N 1 0 666.663 6.649 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000095566897 562765359 /nfs/dbraw/zinc/76/53/59/562765359.db2.gz IBQRWOHUAXROCR-GJBCSVNNSA-N 1 0 612.010 6.564 3 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095567102 562765559 /nfs/dbraw/zinc/76/55/59/562765559.db2.gz ORTMWWQHMCADOR-WEVAMHJFSA-N 1 0 741.178 7.375 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567413 562765805 /nfs/dbraw/zinc/76/58/05/562765805.db2.gz BTOKSVPFEBLMIX-SGQICDRISA-N 1 0 712.719 6.384 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095567487 562765884 /nfs/dbraw/zinc/76/58/84/562765884.db2.gz KPWIEHUIZOJQLP-ISVMRZDUSA-N 1 0 680.806 5.526 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567568 562765896 /nfs/dbraw/zinc/76/58/96/562765896.db2.gz UGALTWQJAJNGEN-IOAOZTLTSA-N 1 0 720.292 5.256 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095567657 562765967 /nfs/dbraw/zinc/76/59/67/562765967.db2.gz DYCZSMLKMCKUPF-ULQPQYINSA-N 1 0 597.800 6.153 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567787 562766061 /nfs/dbraw/zinc/76/60/61/562766061.db2.gz ZNTPGUKYHQEGJK-AZAGJHQNSA-N 1 0 640.756 6.543 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567896 562766204 /nfs/dbraw/zinc/76/62/04/562766204.db2.gz XVJMWCXMALPRRA-AWYDNWMNSA-N 1 0 661.796 5.700 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568401 562766621 /nfs/dbraw/zinc/76/66/21/562766621.db2.gz SIHGKWCNYKQFFR-PEFAJXDASA-N 1 0 652.748 6.204 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568431 562766633 /nfs/dbraw/zinc/76/66/33/562766633.db2.gz VYACBIYDVUCBDQ-DIBPYXDISA-N 1 0 641.017 5.800 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568497 562766681 /nfs/dbraw/zinc/76/66/81/562766681.db2.gz RKBLFXPXPCVUTN-AZAGJHQNSA-N 1 0 662.252 6.089 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568459 562766699 /nfs/dbraw/zinc/76/66/99/562766699.db2.gz HCIBUZGQUWCBJD-UZINWLIJSA-N 1 0 564.752 5.281 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095568479 562766708 /nfs/dbraw/zinc/76/67/08/562766708.db2.gz PKQAAOKAAVIVOG-KZFQQWRHSA-N 1 0 694.789 5.246 1 0 KKAFRO 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 ZINC000095568616 562766787 /nfs/dbraw/zinc/76/67/87/562766787.db2.gz STCNQGKHPZHYJD-XIWHWFKQSA-N 1 0 711.826 6.096 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569155 562767216 /nfs/dbraw/zinc/76/72/16/562767216.db2.gz VWCVFDWYUIZVLY-SNCSJZQCSA-N 1 0 676.736 7.494 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569248 562767283 /nfs/dbraw/zinc/76/72/83/562767283.db2.gz HCIBUZGQUWCBJD-LZCXECNNSA-N 1 0 564.752 5.281 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095569469 562767441 /nfs/dbraw/zinc/76/74/41/562767441.db2.gz YUYBEPSVBUXRNH-OVDHPMSYSA-N 1 0 715.719 7.574 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095569532 562767514 /nfs/dbraw/zinc/76/75/14/562767514.db2.gz XHCFGJIATIGRMD-SQJKUQPUSA-N 1 0 650.780 5.517 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095569633 562767573 /nfs/dbraw/zinc/76/75/73/562767573.db2.gz UQRVVYXDOOLUAO-VBEKBXFHSA-N 1 0 723.830 6.573 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095569719 562767607 /nfs/dbraw/zinc/76/76/07/562767607.db2.gz IXNRSUPNSZLJQC-QKPBDYBRSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569717 562767625 /nfs/dbraw/zinc/76/76/25/562767625.db2.gz YUKCNNACWFASQX-TWUWCHPWSA-N 1 0 628.648 5.430 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569753 562767644 /nfs/dbraw/zinc/76/76/44/562767644.db2.gz COMNYNDDKBVPKX-NPKFRGRUSA-N 1 0 598.571 5.456 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569759 562767647 /nfs/dbraw/zinc/76/76/47/562767647.db2.gz GFRGPEHDGBPCHF-YKKXUYLKSA-N 1 0 748.075 6.724 3 0 KKAFRO 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 ZINC000095569747 562767659 /nfs/dbraw/zinc/76/76/59/562767659.db2.gz FDDMFJKLVOMWML-WEVAMHJFSA-N 1 0 703.683 7.704 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569913 562767777 /nfs/dbraw/zinc/76/77/77/562767777.db2.gz RIKKTKCVINKHQI-NIAOJTHTSA-N 1 0 667.556 6.937 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095570069 562767914 /nfs/dbraw/zinc/76/79/14/562767914.db2.gz DVNKZOFDASKPOO-ZORUDCLVSA-N 1 0 806.426 6.903 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570150 562767940 /nfs/dbraw/zinc/76/79/40/562767940.db2.gz JQYQEVXVIORBSR-YJRLZVGASA-N 1 0 635.592 7.143 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095570136 562767993 /nfs/dbraw/zinc/76/79/93/562767993.db2.gz HTBVGGFTFZKUKZ-CURJATOHSA-N 1 0 651.635 5.947 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095570241 562768048 /nfs/dbraw/zinc/76/80/48/562768048.db2.gz ZZFLVVQZHZTAAM-OSESMHQUSA-N 1 0 666.860 6.367 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000095570280 562768095 /nfs/dbraw/zinc/76/80/95/562768095.db2.gz BKTOKKILMYECOU-AREMUKBSSA-N 1 0 591.552 6.883 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570400 562768189 /nfs/dbraw/zinc/76/81/89/562768189.db2.gz IVGISJLMDFIDFY-FYQCMVGJSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570514 562768270 /nfs/dbraw/zinc/76/82/70/562768270.db2.gz PWTWTDDNXRGKGX-WTBTXGFSSA-N 1 0 676.736 7.494 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095570823 562768572 /nfs/dbraw/zinc/76/85/72/562768572.db2.gz DYCZSMLKMCKUPF-RYOMNGFGSA-N 1 0 597.800 6.153 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571001 562768662 /nfs/dbraw/zinc/76/86/62/562768662.db2.gz KPNIWBUOMWGGPJ-FXZPAHAQSA-N 1 0 698.692 6.455 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571549 562769127 /nfs/dbraw/zinc/76/91/27/562769127.db2.gz NKYSZIASVRRVQA-FCUWZOGCSA-N 1 0 705.900 6.816 1 0 KKAFRO [NH3+][C@H](C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1 ZINC000095573010 562769554 /nfs/dbraw/zinc/76/95/54/562769554.db2.gz UEYIAZBJXOAPRD-MHZLTWQESA-N 1 0 530.525 6.438 1 0 KKAFRO C[C@](Cc1ccc(F)cc1)(C(=O)[O-])[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095573755 562769767 /nfs/dbraw/zinc/76/97/67/562769767.db2.gz YDHQRFQQOKRWAD-MHZLTWQESA-N 1 0 523.476 5.774 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)c1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095574500 562769970 /nfs/dbraw/zinc/76/99/70/562769970.db2.gz ZCLDNSPFEQSCIU-YIAOTGBYSA-N 1 0 551.042 5.891 1 0 KKAFRO CCc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c3ccccn3)c(=O)n(C3CCCC3)c1)CC1(CCC1)O2 ZINC000095575387 562770307 /nfs/dbraw/zinc/77/03/07/562770307.db2.gz WRITUJLAWAHZDW-QGBCWPEESA-N 1 0 646.832 6.326 1 0 KKAFRO COc1cc(OCCC[NH+]2CCCCC2)c(C(=O)c2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2)c1 ZINC000095576811 562770743 /nfs/dbraw/zinc/77/07/43/562770743.db2.gz PQSIOMSNEPHYQL-UHFFFAOYSA-N 1 0 565.710 7.339 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000095578065 562771191 /nfs/dbraw/zinc/77/11/91/562771191.db2.gz ZZANZGQVTYIQHJ-RJKGWOMYSA-N 1 0 605.178 7.464 1 0 KKAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1cccc(-c3nccs3)c1)NC(=O)[C@@H]1CCCO1)CC1(CCC1)O2 ZINC000095579149 562771474 /nfs/dbraw/zinc/77/14/74/562771474.db2.gz DZIXUQJNRCUJQW-FKWFRFQNSA-N 1 0 604.817 5.397 1 0 KKAFRO O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095579529 562771581 /nfs/dbraw/zinc/77/15/81/562771581.db2.gz YCAJMVTWURPZQW-UHFFFAOYSA-N 1 0 555.748 6.745 1 0 KKAFRO CC(C)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cccc(F)c1 ZINC000095582221 562772502 /nfs/dbraw/zinc/77/25/02/562772502.db2.gz MHAHUTAEMRYGPD-SANMLTNESA-N 1 0 521.036 5.426 1 0 KKAFRO [NH3+]CCCOCCCOc1cccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3Cl)n2)c1 ZINC000095583026 562772801 /nfs/dbraw/zinc/77/28/01/562772801.db2.gz LLSIXRBOETXJEL-UHFFFAOYSA-N 1 0 578.098 5.459 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000095585192 562773507 /nfs/dbraw/zinc/77/35/07/562773507.db2.gz YVMRZYPIAAUZMZ-RPBOFIJWSA-N 1 0 523.073 5.489 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000095586900 562774142 /nfs/dbraw/zinc/77/41/42/562774142.db2.gz SFVPNLDWPIZRGY-AJQTZOPKSA-N 1 0 555.763 5.710 1 0 KKAFRO CC(C)CN(CC(C)C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095586953 562774183 /nfs/dbraw/zinc/77/41/83/562774183.db2.gz HCFNCEYBYZIOAZ-UHFFFAOYSA-N 1 0 509.632 6.538 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2ccc3ccccc3c2)c1 ZINC000095587183 562774231 /nfs/dbraw/zinc/77/42/31/562774231.db2.gz QTZMXDPGLHKANY-SZAHLOSFSA-N 1 0 579.785 6.329 1 0 KKAFRO CCCCc1c(Cl)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095588006 562774480 /nfs/dbraw/zinc/77/44/80/562774480.db2.gz WZWNHVDIFMZDHR-UHFFFAOYSA-N 1 0 658.190 6.055 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000095588401 562774648 /nfs/dbraw/zinc/77/46/48/562774648.db2.gz BNGFCYDIXYMXNT-XZWHSSHBSA-N 1 0 529.725 5.176 1 0 KKAFRO Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC000095589667 562775034 /nfs/dbraw/zinc/77/50/34/562775034.db2.gz FFBYNQCXDQNNQT-GKQHHHCTSA-N 1 0 663.757 5.741 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)CC[N@H+](CCc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095590488 562775270 /nfs/dbraw/zinc/77/52/70/562775270.db2.gz JFTHETYASCLEPQ-UHFFFAOYSA-N 1 0 733.862 6.609 1 0 KKAFRO Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC([NH2+][C@@H]4CCOC[C@@H]4F)CC3)n2)no1 ZINC000095590760 562775337 /nfs/dbraw/zinc/77/53/37/562775337.db2.gz CSTRIVMEIYPLGJ-ASUDMDKOSA-N 1 0 660.713 5.811 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591344 562775595 /nfs/dbraw/zinc/77/55/95/562775595.db2.gz ISUMZRKRZDJHAN-UHFFFAOYSA-N 1 0 527.624 6.499 1 0 KKAFRO Cn1cc(-c2ccc(CN3c4ccccc4[C@@]4(CC[N@@H+](C5CCCC5)C4)C3=O)c(F)c2)c(C(F)(F)F)n1 ZINC000095592079 562775805 /nfs/dbraw/zinc/77/58/05/562775805.db2.gz YLLKPXACGBRZJC-MHZLTWQESA-N 1 0 512.551 5.678 1 0 KKAFRO COc1ccc([C@H]2[C@H](c3ccc(NC(=O)[C@@H]([NH3+])Cc4ccccc4)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095592745 562775971 /nfs/dbraw/zinc/77/59/71/562775971.db2.gz XJRQKXREXYULQY-NAYUSWPISA-N 1 0 581.669 5.101 1 0 KKAFRO COc1cc(N2Cc3ccc(Sc4ccc(F)cc4Cl)nc3C2=O)ccc1OCC[NH+]1CCCC1 ZINC000095592812 562776061 /nfs/dbraw/zinc/77/60/61/562776061.db2.gz YQHFYXVDVQMXEC-UHFFFAOYSA-N 1 0 514.022 5.669 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+](C(C)C)C(C)C)c(C)c3oc2=O)ccc1O ZINC000095594501 562776466 /nfs/dbraw/zinc/77/64/66/562776466.db2.gz OIEKNKFDNNKJFF-UHFFFAOYSA-N 1 0 520.670 6.456 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CCC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595901 562776841 /nfs/dbraw/zinc/77/68/41/562776841.db2.gz IOXSETITQBUCMZ-JOCHJYFZSA-N 1 0 532.637 5.508 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)Cc4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095596358 562776940 /nfs/dbraw/zinc/77/69/40/562776940.db2.gz SMKXLUTVBCCMDY-UHFFFAOYSA-N 1 0 540.660 6.469 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)C(C)(C)C)c(C)c3oc2=O)ccc1O ZINC000095597499 562777229 /nfs/dbraw/zinc/77/72/29/562777229.db2.gz FZTJFNABBVIBFQ-UHFFFAOYSA-N 1 0 506.643 6.067 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095598906 562777594 /nfs/dbraw/zinc/77/75/94/562777594.db2.gz RXIJSVCALBVVES-QZCKSCMDSA-N 1 0 706.733 6.722 1 0 KKAFRO 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 ZINC000095598935 562777628 /nfs/dbraw/zinc/77/76/28/562777628.db2.gz LZRMYYQDLQFCEK-YUAZXLJXSA-N 1 0 728.809 7.006 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000095599008 562777710 /nfs/dbraw/zinc/77/77/10/562777710.db2.gz GGITXPBQMSFSBS-SPWOZAQASA-N 1 0 698.059 6.822 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599325 562777999 /nfs/dbraw/zinc/77/79/99/562777999.db2.gz RBOAJFBNHJWMOW-GHVZQYPWSA-N 1 0 684.800 7.277 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095600444 562778906 /nfs/dbraw/zinc/77/89/06/562778906.db2.gz XZKSGWSUUNDQRD-QLODZENZSA-N 1 0 604.535 5.594 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600521 562778971 /nfs/dbraw/zinc/77/89/71/562778971.db2.gz RIKKTKCVINKHQI-IKDMDFKBSA-N 1 0 667.556 6.937 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095600616 562779041 /nfs/dbraw/zinc/77/90/41/562779041.db2.gz VLABVJXETLVVIO-BXOOBUKZSA-N 1 0 554.707 5.131 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095600621 562779077 /nfs/dbraw/zinc/77/90/77/562779077.db2.gz KBDYTXJNXXZTGD-NCLPYWGKSA-N 1 0 587.742 5.442 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095600706 562779131 /nfs/dbraw/zinc/77/91/31/562779131.db2.gz ORTMWWQHMCADOR-ZCKQCUHLSA-N 1 0 741.178 7.375 1 0 KKAFRO 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 ZINC000095601000 562779438 /nfs/dbraw/zinc/77/94/38/562779438.db2.gz RKFPRZNLXVJUNG-DOBRQBTGSA-N 1 0 627.807 5.815 1 0 KKAFRO COc1ccc(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 ZINC000095601294 562779553 /nfs/dbraw/zinc/77/95/53/562779553.db2.gz LFZLAWVTNRSJHJ-MCYUDXQTSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601690 562779747 /nfs/dbraw/zinc/77/97/47/562779747.db2.gz XJOPVLQFFGEWNL-HFZPWKHCSA-N 1 0 597.678 5.168 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602082 562779907 /nfs/dbraw/zinc/77/99/07/562779907.db2.gz CCBJYMSELAITLT-NJMFHTGSSA-N 1 0 704.625 6.878 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095602401 562780061 /nfs/dbraw/zinc/78/00/61/562780061.db2.gz QMCFBRPLMVFDBX-SUCLBKFRSA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603067 562780336 /nfs/dbraw/zinc/78/03/36/562780336.db2.gz RBOAJFBNHJWMOW-NSWWAWACSA-N 1 0 684.800 7.277 1 0 KKAFRO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095603451 562780568 /nfs/dbraw/zinc/78/05/68/562780568.db2.gz DKFJGYQTLBOWCX-OVMXQCPESA-N 1 0 558.723 5.493 1 0 KKAFRO 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 ZINC000095603452 562780573 /nfs/dbraw/zinc/78/05/73/562780573.db2.gz QDRBVCQGVAHXBS-WTBTXGFSSA-N 1 0 641.813 5.392 1 0 KKAFRO CC[C@H](c1nc2ccccc2n1Cc1ccccc1)N(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000095603592 562780598 /nfs/dbraw/zinc/78/05/98/562780598.db2.gz VKZGMMBKGXVSPD-AREMUKBSSA-N 1 0 533.514 6.392 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095603736 562780674 /nfs/dbraw/zinc/78/06/74/562780674.db2.gz RZBAHHBRQVWZMS-UGIZIUIESA-N 1 0 617.790 7.128 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781203 /nfs/dbraw/zinc/78/12/03/562781203.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N 1 0 655.044 5.729 1 0 KKAFRO 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 ZINC000095604916 562781247 /nfs/dbraw/zinc/78/12/47/562781247.db2.gz UIKXZKCHSBRXDR-GAIIXZKLSA-N 1 0 705.840 6.434 1 0 KKAFRO COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3cccc(F)c3)CC2)CN(C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095604912 562781278 /nfs/dbraw/zinc/78/12/78/562781278.db2.gz FHTOGWFFKDCPTO-MUUNZHRXSA-N 1 0 560.645 5.580 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095605706 562781683 /nfs/dbraw/zinc/78/16/83/562781683.db2.gz DFSBUGSUDBGGAL-OXYPMYLPSA-N 1 0 611.705 5.916 1 0 KKAFRO NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095609963 562784133 /nfs/dbraw/zinc/78/41/33/562784133.db2.gz MZGUDDOPVAJERM-BCRBLDSWSA-N 1 0 818.753 6.670 1 0 KKAFRO C[C@@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Br)ccc(F)c1Cl ZINC000096273088 562794420 /nfs/dbraw/zinc/79/44/20/562794420.db2.gz WZTDRWQMUGYQEG-GFCCVEGCSA-N 1 0 534.817 5.893 1 0 KKAFRO O=C(C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095613028 562786002 /nfs/dbraw/zinc/78/60/02/562786002.db2.gz IVQYNYUJGITSAQ-ZUXFZLHLSA-N 1 0 757.854 6.044 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095613143 562786090 /nfs/dbraw/zinc/78/60/90/562786090.db2.gz ZIAAZKVMZXBEBY-STRYXSGUSA-N 1 0 789.871 6.573 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095613186 562786125 /nfs/dbraw/zinc/78/61/25/562786125.db2.gz PKFOXDGOMLDGGS-KPTTYIGJSA-N 1 0 789.871 6.573 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2cccc(C(F)(F)F)c2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095614892 562786934 /nfs/dbraw/zinc/78/69/34/562786934.db2.gz XTHCLTMBLQSPGH-JTTJSRJUSA-N 1 0 813.874 6.757 1 0 KKAFRO COc1cc2c(cc1OCCCCCN1CC[NH+](CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000095615985 562787675 /nfs/dbraw/zinc/78/76/75/562787675.db2.gz KMALZPASESRBSO-XAZDILKDSA-N 1 0 750.888 5.657 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(OCC(=O)Nc3cccc(C(=O)c4ccccc4)c3)c2)CC1 ZINC000095616255 562787844 /nfs/dbraw/zinc/78/78/44/562787844.db2.gz FSADQNMMWTXQIP-WBAVYHETSA-N 1 0 766.726 7.595 1 0 KKAFRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CC[NH+]3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000095617117 562787876 /nfs/dbraw/zinc/78/78/76/562787876.db2.gz LPRCTIDGJNLVJS-UHFFFAOYSA-N 1 0 742.251 7.262 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666743 562788292 /nfs/dbraw/zinc/78/82/92/562788292.db2.gz TYIUHSCZBUSREW-MWXNICTNSA-N 1 0 594.583 6.642 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@@H]2C)cc1 ZINC000095691993 562788468 /nfs/dbraw/zinc/78/84/68/562788468.db2.gz AXRPYCYFPRGHTO-SYZUXVNWSA-N 1 0 602.757 5.563 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095703161 562788631 /nfs/dbraw/zinc/78/86/31/562788631.db2.gz KBDYTXJNXXZTGD-VJQVOXFUSA-N 1 0 587.742 5.442 1 0 KKAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)CN(Cc2ccncc2)[C@H]1CO ZINC000095796785 562789160 /nfs/dbraw/zinc/78/91/60/562789160.db2.gz RIBPBJMOZQOLJW-YTTGMZPUSA-N 1 0 559.714 5.717 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095823520 562789331 /nfs/dbraw/zinc/78/93/31/562789331.db2.gz BTKKALCSURFCKW-JWUQWVJQSA-N 1 0 633.733 5.096 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095836372 562789441 /nfs/dbraw/zinc/78/94/41/562789441.db2.gz OMPYFAIFRLVIFJ-SFOWLQBLSA-N 1 0 621.741 5.895 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095838539 562789450 /nfs/dbraw/zinc/78/94/50/562789450.db2.gz NTYNVBJJDZWMGX-UNVFRBQDSA-N 1 0 585.627 5.097 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095865313 562789734 /nfs/dbraw/zinc/78/97/34/562789734.db2.gz CRAILXCFJDOKOF-ULQPQYINSA-N 1 0 548.727 6.511 1 0 KKAFRO COc1cccc(C[N@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095864787 562789776 /nfs/dbraw/zinc/78/97/76/562789776.db2.gz DIYZUOHLOSFTTI-OVMXQCPESA-N 1 0 555.719 5.344 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869056 562789900 /nfs/dbraw/zinc/78/99/00/562789900.db2.gz TYIUHSCZBUSREW-VDZJOXJSSA-N 1 0 594.583 6.642 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cc(OCC[NH+]4CCCC4)nc(C)n3)nc12 ZINC000096167811 562790577 /nfs/dbraw/zinc/79/05/77/562790577.db2.gz CJHXNOAMXWHZLV-UHFFFAOYSA-N 1 0 510.429 5.624 1 0 KKAFRO c1ccc(OC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174120 562791705 /nfs/dbraw/zinc/79/17/05/562791705.db2.gz HYLMVHQORSHMJX-UHFFFAOYSA-N 1 0 500.606 6.097 1 0 KKAFRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c(C)c1 ZINC000096174116 562791707 /nfs/dbraw/zinc/79/17/07/562791707.db2.gz ZDQCCGMQIAPXKQ-UHFFFAOYSA-N 1 0 586.700 6.156 1 0 KKAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1 ZINC000096174207 562791793 /nfs/dbraw/zinc/79/17/93/562791793.db2.gz AJLWDJDWMFJLHM-BHVANESWSA-N 1 0 649.702 5.310 1 0 KKAFRO C[C@@H]1CN(C(=O)N(C[C@@H]2C[NH2+]C[C@@H]2F)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2cccc(F)c2)C(C)(C)C)C[C@H](C)O1 ZINC000096174213 562791801 /nfs/dbraw/zinc/79/18/01/562791801.db2.gz NIGJERGZJNCPOP-MQUFBMRISA-N 1 0 616.704 5.587 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CC[NH2+]CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175742 562791898 /nfs/dbraw/zinc/79/18/98/562791898.db2.gz WDYNEIBFVXGQAU-UHFFFAOYSA-N 1 0 615.760 5.383 1 0 KKAFRO CC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175765 562791950 /nfs/dbraw/zinc/79/19/50/562791950.db2.gz NRWIEVBTHNLZHT-UHFFFAOYSA-N 1 0 659.857 6.281 1 0 KKAFRO COCC[NH+]1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175751 562791953 /nfs/dbraw/zinc/79/19/53/562791953.db2.gz QECCAWDDZJLAKL-UHFFFAOYSA-N 1 0 675.856 5.833 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CC[NH+](C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175764 562792008 /nfs/dbraw/zinc/79/20/08/562792008.db2.gz KWQZSXNOCOOZSI-UHFFFAOYSA-N 1 0 645.830 5.891 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCO)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177916 562792442 /nfs/dbraw/zinc/79/24/42/562792442.db2.gz WSOXZJWNQRWHCO-UHFFFAOYSA-N 1 0 621.808 5.598 1 0 KKAFRO Cc1n[nH]c2cc(Nc3cc(C)c(C4CC[NH2+]CC4)cc3OC(C)C)cc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177912 562792478 /nfs/dbraw/zinc/79/24/78/562792478.db2.gz BPJUCNWOCKWARO-UHFFFAOYSA-N 1 0 575.779 7.103 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CCC3)n1)C(=O)N(C1CCN(C(=O)C[NH+](C)C)CC1)C2 ZINC000096177893 562792483 /nfs/dbraw/zinc/79/24/83/562792483.db2.gz VRSBBOUWXNVSKO-UHFFFAOYSA-N 1 0 696.274 5.239 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH+](C[C@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177944 562792540 /nfs/dbraw/zinc/79/25/40/562792540.db2.gz CHLJQWZELDYSRJ-LJAQVGFWSA-N 1 0 688.817 7.134 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)CC[NH+]5CCC5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177937 562792551 /nfs/dbraw/zinc/79/25/51/562792551.db2.gz XOUQYSUJDVBGIU-UHFFFAOYSA-N 1 0 688.899 6.228 1 0 KKAFRO C[C@@H](Oc1c[nH]c(=O)c(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258128 562792836 /nfs/dbraw/zinc/79/28/36/562792836.db2.gz OMVKEJJVHSVCLF-CQSZACIVSA-N 1 0 516.404 5.256 1 0 KKAFRO C[C@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269482 562792963 /nfs/dbraw/zinc/79/29/63/562792963.db2.gz AGEBSSRVIKUYTM-MHZLTWQESA-N 1 0 656.799 8.179 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269473 562792973 /nfs/dbraw/zinc/79/29/73/562792973.db2.gz IUSZGKKLIPPMOS-WJOKGBTCSA-N 1 0 712.907 9.740 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269479 562792981 /nfs/dbraw/zinc/79/29/81/562792981.db2.gz NEQBDGIZCFQZDX-HHHXNRCGSA-N 1 0 656.799 8.179 1 0 KKAFRO C[C@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCC[NH+](C)C ZINC000096269788 562793011 /nfs/dbraw/zinc/79/30/11/562793011.db2.gz FGOBCJXNNVJAOQ-AREMUKBSSA-N 1 0 733.880 7.482 1 0 KKAFRO CC(C)C[NH+]1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)cc2)CC1 ZINC000096269939 562793119 /nfs/dbraw/zinc/79/31/19/562793119.db2.gz KCLJRXLNQBTLIF-UHFFFAOYSA-N 1 0 530.713 7.562 1 0 KKAFRO C[C@@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270063 562793128 /nfs/dbraw/zinc/79/31/28/562793128.db2.gz MKEUKPOLBUSZTI-XMMPIXPASA-N 1 0 614.718 7.009 1 0 KKAFRO C[C@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270072 562793135 /nfs/dbraw/zinc/79/31/35/562793135.db2.gz PDRCRSNEMYGWMI-QFIPXVFZSA-N 1 0 586.664 6.229 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)[nH]n3)cc2)CC1 ZINC000096270663 562793313 /nfs/dbraw/zinc/79/33/13/562793313.db2.gz FVAPHAVJOTYNMT-UHFFFAOYSA-N 1 0 542.644 5.010 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3Br)c3ccccc3c2=O)cc1F ZINC000096270739 562793352 /nfs/dbraw/zinc/79/33/52/562793352.db2.gz FZRUQGYVXOSMMR-UHFFFAOYSA-N 1 0 756.604 7.893 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c3cc(F)ccc3c2=O)cc1F ZINC000096270734 562793361 /nfs/dbraw/zinc/79/33/61/562793361.db2.gz PAAHMBKDRQYUNZ-UHFFFAOYSA-N 1 0 709.725 7.659 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3c(Cl)cccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270745 562793363 /nfs/dbraw/zinc/79/33/63/562793363.db2.gz YXHJZCCPKMMPDW-UHFFFAOYSA-N 1 0 728.608 8.298 1 0 KKAFRO Cc1cnc(Nc2cc(C)c(C3CC[NH+](C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C ZINC000096272782 562794262 /nfs/dbraw/zinc/79/42/62/562794262.db2.gz UARGTPGGYPAFBV-UHFFFAOYSA-N 1 0 551.757 6.359 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](CCO)CC1 ZINC000096272785 562794264 /nfs/dbraw/zinc/79/42/64/562794264.db2.gz IFFBVWMQEXWQPC-UHFFFAOYSA-N 1 0 602.201 6.067 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284300 562795064 /nfs/dbraw/zinc/79/50/64/562795064.db2.gz RQTUVSVQNVSIKU-QQSVUBKYSA-N 1 0 542.564 6.821 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3c2cccc3N)C1 ZINC000096284295 562795083 /nfs/dbraw/zinc/79/50/83/562795083.db2.gz DOASFXOSSRUSLF-VPHKFGTKSA-N 1 0 527.553 6.395 1 0 KKAFRO C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285300 562795461 /nfs/dbraw/zinc/79/54/61/562795461.db2.gz FPXHABRAFBDZTO-NRFANRHFSA-N 1 0 607.586 5.772 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096285106 562795474 /nfs/dbraw/zinc/79/54/74/562795474.db2.gz NGTAHWHMGVUEDB-UHFFFAOYSA-N 1 0 621.713 6.505 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Br)c2)CC1 ZINC000096285337 562795539 /nfs/dbraw/zinc/79/55/39/562795539.db2.gz ZRBNRFQNYULVHS-PIKZIKFNSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285342 562795555 /nfs/dbraw/zinc/79/55/55/562795555.db2.gz FPBBMOPREIDYGA-FIPFOOKPSA-N 1 0 566.190 6.136 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285370 562795565 /nfs/dbraw/zinc/79/55/65/562795565.db2.gz VXUHJSADHJEBBJ-KMRXNPHXSA-N 1 0 567.178 5.531 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285390 562795594 /nfs/dbraw/zinc/79/55/94/562795594.db2.gz BUQGFMHFSZHCHF-LVXARBLLSA-N 1 0 538.136 5.356 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285381 562795610 /nfs/dbraw/zinc/79/56/10/562795610.db2.gz COOGUPBOWLTOIX-BWKNWUBXSA-N 1 0 540.152 5.602 1 0 KKAFRO O=c1cc(-c2ccccc2)oc2cc(OCCN3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285570 562795846 /nfs/dbraw/zinc/79/58/46/562795846.db2.gz OXTPOGAMUKLJIJ-UHFFFAOYSA-N 1 0 574.725 5.996 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(-c2cnc(N)c(S[C@@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1 ZINC000096285925 562795956 /nfs/dbraw/zinc/79/59/56/562795956.db2.gz KSAAQWQFZSMFEC-INIZCTEOSA-N 1 0 535.516 6.702 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302087 562796307 /nfs/dbraw/zinc/79/63/07/562796307.db2.gz AYQPUUZHDGKDRB-KLTPPHAJSA-N 1 0 576.757 5.733 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)cc([C@H](C)O)c2)c1 ZINC000096307596 562796393 /nfs/dbraw/zinc/79/63/93/562796393.db2.gz IXJVBGCZQGVESS-PXNIRXDMSA-N 1 0 649.710 5.149 1 0 KKAFRO CC(C)c1ccc(CC[N@@H+]2CC[C@@]3(C)c4cc(OC(=O)Nc5ccc(C(C)C)cc5)ccc4N(C)[C@@H]23)cc1 ZINC000096315974 562796470 /nfs/dbraw/zinc/79/64/70/562796470.db2.gz QPCSBYIUPJATOY-WEZIJMHWSA-N 1 0 511.710 7.526 1 0 KKAFRO O=C1N(CC[NH2+]C2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000096901359 562797049 /nfs/dbraw/zinc/79/70/49/562797049.db2.gz PHEIVMXYEVVNHK-UHFFFAOYSA-N 1 0 549.546 5.976 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccc([S@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903703 562797978 /nfs/dbraw/zinc/79/79/78/562797978.db2.gz XJQISSRYLJVOQK-MSYMSKFLSA-N 1 0 623.646 7.114 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1ccc(Cl)cc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908070 562799289 /nfs/dbraw/zinc/79/92/89/562799289.db2.gz TWAUFKBGVVXDNM-RAMDELSOSA-N 1 0 560.263 6.978 1 0 KKAFRO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CCN3CCOCC3)cc2)nc2ccccc21 ZINC000096908891 562799488 /nfs/dbraw/zinc/79/94/88/562799488.db2.gz HJVANCDPHKFBLC-UHFFFAOYSA-N 1 0 616.166 5.227 1 0 KKAFRO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909816 562799780 /nfs/dbraw/zinc/79/97/80/562799780.db2.gz ZGPROTVBDDFDQH-NRFANRHFSA-N 1 0 517.427 5.044 1 0 KKAFRO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909806 562799784 /nfs/dbraw/zinc/79/97/84/562799784.db2.gz SYXAHSDAHIOHSU-QHCPKHFHSA-N 1 0 545.481 5.824 1 0 KKAFRO Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910122 562799857 /nfs/dbraw/zinc/79/98/57/562799857.db2.gz ALWMMJFIFPMQPS-WXVAWEFUSA-N 1 0 503.643 5.164 1 0 KKAFRO CCCCCCn1c2ccccc2n2c(-c3ccc[n+](CCCCCC)c3)nc(-c3ccccc3)c2c1=O ZINC000096911159 562800172 /nfs/dbraw/zinc/80/01/72/562800172.db2.gz SVUMXYHWSUJGNJ-UHFFFAOYSA-N 1 0 507.702 7.431 1 0 KKAFRO CCCCCCn1c2ccccc2n2c(-c3ccc[n+](Cc4ccccc4)c3)nc(-c3ccccc3)c2c1=O ZINC000096916686 562801269 /nfs/dbraw/zinc/80/12/69/562801269.db2.gz AOOWIQNFYOUACU-UHFFFAOYSA-N 1 0 513.665 6.899 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000096921421 562801442 /nfs/dbraw/zinc/80/14/42/562801442.db2.gz UAOWACOVBZWCJS-UHULTCERSA-N 1 0 764.367 5.647 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(F)cc32)cc1F ZINC000096923708 562802130 /nfs/dbraw/zinc/80/21/30/562802130.db2.gz JPILOKCQOSEJCY-UHFFFAOYSA-N 1 0 702.802 9.591 1 0 KKAFRO CCOc1cc(N)c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)/C=C/C[NH+](C)C ZINC000096928308 562802822 /nfs/dbraw/zinc/80/28/22/562802822.db2.gz DTYRZJIJCBDMSC-RMKNXTFCSA-N 1 0 541.023 5.348 1 0 KKAFRO c1ccc2sc(S[C@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938107 562804414 /nfs/dbraw/zinc/80/44/14/562804414.db2.gz UNDNDGOVRPGOTJ-PMERELPUSA-N 1 0 530.759 7.983 1 0 KKAFRO c1ccc2sc(S[C@@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938106 562804416 /nfs/dbraw/zinc/80/44/16/562804416.db2.gz UNDNDGOVRPGOTJ-SSEXGKCCSA-N 1 0 530.759 7.983 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Br)cc1 ZINC000096939388 562804721 /nfs/dbraw/zinc/80/47/21/562804721.db2.gz NPWKFVGMLLDHKU-AREMUKBSSA-N 1 0 643.957 6.196 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Cl)cc1 ZINC000096939390 562804736 /nfs/dbraw/zinc/80/47/36/562804736.db2.gz NKPNQEOGFCIQAF-AREMUKBSSA-N 1 0 599.506 6.087 1 0 KKAFRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1ccc2[nH]c3ccc(Br)cc3c2c1Br ZINC000096939791 562804826 /nfs/dbraw/zinc/80/48/26/562804826.db2.gz WVRJJSKOFGAWKQ-MRXNPFEDSA-N 1 0 564.274 5.263 1 0 KKAFRO COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2OCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000098085293 562805821 /nfs/dbraw/zinc/80/58/21/562805821.db2.gz UOTAHAZHOMAUIK-UHFFFAOYSA-N 1 0 563.492 5.818 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000100841861 562808208 /nfs/dbraw/zinc/80/82/08/562808208.db2.gz QSVIUQSRMGIJPZ-XKWLHOGNSA-N 1 0 528.784 5.049 1 0 KKAFRO COC(=O)[C@H](CCCC[NH3+])N(/C=C/Cc1cccc(Oc2ccccc2)c1)Cc1cccc(Oc2ccccc2)c1 ZINC000100863138 562808274 /nfs/dbraw/zinc/80/82/74/562808274.db2.gz CKPBTNSFIIVLDR-SDFIUTEQSA-N 1 0 550.699 7.500 1 0 KKAFRO CC(C)N1CC[NH+]([C@H]2CC[C@@](NC(=O)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916025 562808516 /nfs/dbraw/zinc/80/85/16/562808516.db2.gz QUXYPYOPGAKDPS-RSYZWFLXSA-N 1 0 569.634 6.808 1 0 KKAFRO COc1cccc(NC(=O)N(CCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 ZINC000101138207 562809411 /nfs/dbraw/zinc/80/94/11/562809411.db2.gz SMSRZWPUWULUBO-UQWUFBTJSA-N 1 0 516.690 6.015 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141161 562809424 /nfs/dbraw/zinc/80/94/24/562809424.db2.gz RCVHDPWYXTVRFR-LAKWIPNFSA-N 1 0 554.488 5.786 1 0 KKAFRO Cc1nc(C(C)C)n([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101176995 562809659 /nfs/dbraw/zinc/80/96/59/562809659.db2.gz PTUIAFZYMVYAII-QYOOZWMWSA-N 1 0 513.677 5.951 1 0 KKAFRO CC1=NC(=S)N(CCC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000101268826 562810129 /nfs/dbraw/zinc/81/01/29/562810129.db2.gz QFKKBLVFSGAHIT-MHZLTWQESA-N 1 0 559.698 6.876 1 0 KKAFRO CNC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511141 562811158 /nfs/dbraw/zinc/81/11/58/562811158.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 1 0 611.781 6.702 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCC[N@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645508 562811522 /nfs/dbraw/zinc/81/15/22/562811522.db2.gz BGWJXKZYWIIMQN-FGZHOGPDSA-N 1 0 544.614 6.139 1 0 KKAFRO COc1ccc(C[C@H]2CC(=O)N(c3ccccc3C(=O)OC[C@H]3CCC[N@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000101645546 562811561 /nfs/dbraw/zinc/81/15/61/562811561.db2.gz UNYHZMFOWCLOMI-NSOVKSMOSA-N 1 0 554.687 5.319 1 0 KKAFRO C[N@@H+]1CCCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696113 562811782 /nfs/dbraw/zinc/81/17/82/562811782.db2.gz OXIZESITNKSRTL-UHFFFAOYSA-N 1 0 583.710 5.207 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696272 562811806 /nfs/dbraw/zinc/81/18/06/562811806.db2.gz ATVBRBVZFHVUGD-UHFFFAOYSA-N 1 0 528.674 6.385 1 0 KKAFRO CN(CC[NH+](C)C)C(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696529 562811967 /nfs/dbraw/zinc/81/19/67/562811967.db2.gz FCMSNWCBNHSTMY-UHFFFAOYSA-N 1 0 571.699 5.063 1 0 KKAFRO COc1cc(CCC(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806985 562813311 /nfs/dbraw/zinc/81/33/11/562813311.db2.gz JXCYICKXOWATCA-DUOCIXOMSA-N 1 0 643.774 5.625 1 0 KKAFRO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135132 562814415 /nfs/dbraw/zinc/81/44/15/562814415.db2.gz ZGPROTVBDDFDQH-OAQYLSRUSA-N 1 0 517.427 5.044 1 0 KKAFRO O[C@@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000103189325 562815597 /nfs/dbraw/zinc/81/55/97/562815597.db2.gz IRXOYNKHWNAGPH-HSZRJFAPSA-N 1 0 569.956 5.988 1 0 KKAFRO O[C@@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000103189323 562815608 /nfs/dbraw/zinc/81/56/08/562815608.db2.gz SSZZSDMUSFBOKZ-HSZRJFAPSA-N 1 0 535.511 5.335 1 0 KKAFRO O=c1[nH]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201552 562816100 /nfs/dbraw/zinc/81/61/00/562816100.db2.gz FUHFWCJOWKLAHZ-DHIFEGFHSA-N 1 0 629.592 7.674 1 0 KKAFRO O=c1[nH]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201548 562816110 /nfs/dbraw/zinc/81/61/10/562816110.db2.gz FUHFWCJOWKLAHZ-JOMNFKBKSA-N 1 0 629.592 7.674 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225795 562817786 /nfs/dbraw/zinc/81/77/86/562817786.db2.gz GHBCBQSQGDNBNN-QODLHPCFSA-N 1 0 542.749 5.839 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228633 562818030 /nfs/dbraw/zinc/81/80/30/562818030.db2.gz OMOCRHIYJDLVKF-UHFFFAOYSA-N 1 0 561.679 6.399 1 0 KKAFRO C[C@@H](C[NH+](C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229644 562818076 /nfs/dbraw/zinc/81/80/76/562818076.db2.gz VWZHXQMQXIFFGW-HNNXBMFYSA-N 1 0 562.001 5.567 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230182 562818134 /nfs/dbraw/zinc/81/81/34/562818134.db2.gz BJTJWSNHVLJIJI-BSKIJULFSA-N 1 0 532.496 7.401 1 0 KKAFRO Fc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230125 562818158 /nfs/dbraw/zinc/81/81/58/562818158.db2.gz BRZGSSIWSSYQOZ-AUEATDLBSA-N 1 0 520.460 7.532 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103234833 562818689 /nfs/dbraw/zinc/81/86/89/562818689.db2.gz OYKWKRULMOLOFA-GPOLMCQNSA-N 1 0 597.631 8.178 1 0 KKAFRO COc1ccc(N(C(=O)Nc2ccc3nc(-c4cc(-c5cnn(C6CC[NH2+]CC6)c5)cnc4N)oc3c2)c2ccccc2)cc1 ZINC000103249974 562820160 /nfs/dbraw/zinc/82/01/60/562820160.db2.gz XWCWGOOBIPAWPA-UHFFFAOYSA-N 1 0 600.683 6.639 1 0 KKAFRO CC(C)[NH+](C(C)C)[C@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000103250870 562820281 /nfs/dbraw/zinc/82/02/81/562820281.db2.gz LCQBPNWAJFSCIT-LOSJGSFVSA-N 1 0 501.555 7.850 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103254046 562820625 /nfs/dbraw/zinc/82/06/25/562820625.db2.gz CGCOPBXAGSCZNX-LYUIPKCISA-N 1 0 614.505 5.024 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)c(Cc3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000103256412 562820836 /nfs/dbraw/zinc/82/08/36/562820836.db2.gz WKLQZGUOLPAFOT-UHFFFAOYSA-N 1 0 509.646 6.494 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000103258226 562820984 /nfs/dbraw/zinc/82/09/84/562820984.db2.gz QHJUWQXHNUKLAP-PMERELPUSA-N 1 0 590.746 5.655 1 0 KKAFRO Cc1ccc(C[NH+]2CCCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261565 562821432 /nfs/dbraw/zinc/82/14/32/562821432.db2.gz PONICNVXXIZUCK-UHFFFAOYSA-N 1 0 600.645 7.585 1 0 KKAFRO Cc1ccc(CN2CC[NH2+]CC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261574 562821492 /nfs/dbraw/zinc/82/14/92/562821492.db2.gz LPUUKKDLIBCXMT-UHFFFAOYSA-N 1 0 601.633 6.004 1 0 KKAFRO Cc1ccc(CN2C[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264955 562822055 /nfs/dbraw/zinc/82/20/55/562822055.db2.gz BMOJETYKOWBJNF-PDDLMNHVSA-N 1 0 616.688 6.791 1 0 KKAFRO Cc1ccc(CN(C)CCC[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264973 562822057 /nfs/dbraw/zinc/82/20/57/562822057.db2.gz ZLTPHYKLWOKMHT-UHFFFAOYSA-N 1 0 606.693 7.038 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1ncccn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283351 562823658 /nfs/dbraw/zinc/82/36/58/562823658.db2.gz IFBVQKSJPHIBDN-FXSWLTOZSA-N 1 0 569.931 5.383 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2CCC(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300072 562824872 /nfs/dbraw/zinc/82/48/72/562824872.db2.gz IAAALMLPFGQLFI-UHFFFAOYSA-N 1 0 530.644 6.861 1 0 KKAFRO CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000114036960 562827151 /nfs/dbraw/zinc/82/71/51/562827151.db2.gz DYIDCYKYUPJJTQ-UHFFFAOYSA-N 1 0 522.089 6.927 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037587 562827200 /nfs/dbraw/zinc/82/72/00/562827200.db2.gz CHEFFCXFEZUVQX-SFHVURJKSA-N 1 0 503.990 5.148 1 0 KKAFRO [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)C1 ZINC000114037612 562827224 /nfs/dbraw/zinc/82/72/24/562827224.db2.gz RNDRXUOKCDOSTQ-IBGZPJMESA-N 1 0 515.564 5.544 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC([NH3+])CC5)nc4)c3c2)cc(Cl)c1O ZINC000114037801 562827241 /nfs/dbraw/zinc/82/72/41/562827241.db2.gz ITUIEGXLOPAYCZ-UHFFFAOYSA-N 1 0 545.043 5.323 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000114099032 562827609 /nfs/dbraw/zinc/82/76/09/562827609.db2.gz IHASKOROCFKNKB-OAQYLSRUSA-N 1 0 541.010 5.907 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000114099134 562827615 /nfs/dbraw/zinc/82/76/15/562827615.db2.gz AXULDDIUSDCLAU-RUZDIDTESA-N 1 0 526.121 5.390 1 0 KKAFRO O=S(=O)(NCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000114601350 562828367 /nfs/dbraw/zinc/82/83/67/562828367.db2.gz BOERTKKBWLOLLH-UHFFFAOYSA-N 1 0 500.423 5.212 1 0 KKAFRO O=S(=O)(NCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114599089 562828345 /nfs/dbraw/zinc/82/83/45/562828345.db2.gz LMPJCXOOACXKHV-UHFFFAOYSA-N 1 0 516.038 5.712 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CC[NH+](C)CC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754066 562828441 /nfs/dbraw/zinc/82/84/41/562828441.db2.gz OYYKFTMPIAGPIG-UHFFFAOYSA-N 1 0 564.694 5.282 1 0 KKAFRO FC(F)(F)c1ccc(C(CCC[NH+]2CCC(N3CCc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817207 562828496 /nfs/dbraw/zinc/82/84/96/562828496.db2.gz PEELZPQCASQMLD-UHFFFAOYSA-N 1 0 546.599 8.163 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(CCF)cc1 ZINC000114978414 562828523 /nfs/dbraw/zinc/82/85/23/562828523.db2.gz CLVSSOLRMIECIW-NDEPHWFRSA-N 1 0 543.104 5.518 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(CCCF)cc1 ZINC000114978923 562828571 /nfs/dbraw/zinc/82/85/71/562828571.db2.gz KFTFIGOJPBAZFM-LJAQVGFWSA-N 1 0 557.131 5.908 1 0 KKAFRO COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1 ZINC000114980081 562828594 /nfs/dbraw/zinc/82/85/94/562828594.db2.gz SMILIPGPZKNDRB-MHZLTWQESA-N 1 0 527.086 5.015 1 0 KKAFRO COc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980245 562828628 /nfs/dbraw/zinc/82/86/28/562828628.db2.gz IYOCVWKMKBXMFB-MHZLTWQESA-N 1 0 527.086 5.015 1 0 KKAFRO O=S(=O)(NCCOc1cc2c(cc1F)CC[NH2+][C@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981068 562828668 /nfs/dbraw/zinc/82/86/68/562828668.db2.gz LOBSNLWYJKVAMA-AREMUKBSSA-N 1 0 515.050 5.145 1 0 KKAFRO COc1ccccc1NS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114984811 562828693 /nfs/dbraw/zinc/82/86/93/562828693.db2.gz RNVUOYZLPFCBTM-NDEPHWFRSA-N 1 0 541.113 5.868 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2ccccc2)C(C)C)C(C)C)ccc1OC ZINC000116622676 562829463 /nfs/dbraw/zinc/82/94/63/562829463.db2.gz ZFRDATUGBHIUMN-KRCBVYEFSA-N 1 0 556.788 5.025 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(-c2ccon2)s1 ZINC000117351173 562829793 /nfs/dbraw/zinc/82/97/93/562829793.db2.gz GPDOJVVKIPKXNK-MHZLTWQESA-N 1 0 570.136 5.723 1 0 KKAFRO COc1nccc2c3cnc(Nc4ccc(N5CCC([NH+]6CCCC6)CC5)cn4)nc3n(C3CCC(C)(C)CC3)c21 ZINC000117686162 562829828 /nfs/dbraw/zinc/82/98/28/562829828.db2.gz YWWUSCUQGOVOER-UHFFFAOYSA-N 1 0 554.743 6.333 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[NH2+]C3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798202 562830716 /nfs/dbraw/zinc/83/07/16/562830716.db2.gz RMGSYAJRAGOIFI-JJWUTGECSA-N 1 0 562.154 6.640 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799866 562830728 /nfs/dbraw/zinc/83/07/28/562830728.db2.gz LBHRNHIJVFKNRX-WPLOMWCUSA-N 1 0 533.112 7.361 1 0 KKAFRO CCOC(=O)c1ccc(-n2c3cc(F)ccc3c(C3CC[NH+](CCCSc4ccc(F)cc4)CC3)c2CC)cc1 ZINC000136919482 562831329 /nfs/dbraw/zinc/83/13/29/562831329.db2.gz JRCSAKBNGXSAGM-UHFFFAOYSA-N 1 0 562.726 8.010 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[C@H]([NH+](C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960999 562832270 /nfs/dbraw/zinc/83/22/70/562832270.db2.gz PANUCCHSDROJBK-YZNIXAGQSA-N 1 0 533.680 5.466 1 0 KKAFRO Cc1nn(C)c(C)c1N(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CC[NH+](C)CC2)cc1Cl ZINC000140262752 562832984 /nfs/dbraw/zinc/83/29/84/562832984.db2.gz KUYYPLKQMRSAHE-UHFFFAOYSA-N 1 0 555.494 5.766 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@H]([NH3+])CC3)s1 ZINC000140429381 562833082 /nfs/dbraw/zinc/83/30/82/562833082.db2.gz IDVJVUGYGZHXPO-FYYLOGMGSA-N 1 0 525.523 5.320 1 0 KKAFRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1 ZINC000140652397 562833221 /nfs/dbraw/zinc/83/32/21/562833221.db2.gz ZWZSOHBMOTYKFF-QHCPKHFHSA-N 1 0 524.725 5.205 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@@H+](C2CCCC2)C1 ZINC000140843975 562833328 /nfs/dbraw/zinc/83/33/28/562833328.db2.gz WXDZHXSCSPJUOV-DEOSSOPVSA-N 1 0 514.510 6.397 1 0 KKAFRO CSc1cccc(NC(=O)N2CCC([C@@H]([NH2+]C3CCC(c4c[nH]c5ccccc54)CC3)C(N)=O)CC2)c1 ZINC000141544839 562833608 /nfs/dbraw/zinc/83/36/08/562833608.db2.gz KKHMMOUUEMDAOY-IOAASBHNSA-N 1 0 519.715 5.304 1 0 KKAFRO c1ccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5ccccc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1 ZINC000142469204 562834231 /nfs/dbraw/zinc/83/42/31/562834231.db2.gz QCXQSBCEUROTJK-UHFFFAOYSA-N 1 0 551.658 6.218 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1OC[C@H](C)NC(=O)CC[NH+](CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000142948766 562834455 /nfs/dbraw/zinc/83/44/55/562834455.db2.gz XKROSFHVZFKVQN-KRWDZBQOSA-N 1 0 587.494 5.015 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000143052234 562834519 /nfs/dbraw/zinc/83/45/19/562834519.db2.gz JPTINJMITUWJPV-UHFFFAOYSA-N 1 0 572.113 5.181 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)C1CCC1 ZINC000143047248 562834543 /nfs/dbraw/zinc/83/45/43/562834543.db2.gz ADBFPMOOTMNMLW-SHQCIBLASA-N 1 0 537.553 5.581 1 0 KKAFRO CC(=O)N1CCC([NH+]2CCC(n3cc(Nc4ncc5c(n4)-c4c(nn(C)c4Cc4ccccc4Cl)C[C@@H]5C)cn3)CC2)CC1 ZINC000143110074 562834632 /nfs/dbraw/zinc/83/46/32/562834632.db2.gz QFQNHTDMQSXDJH-NRFANRHFSA-N 1 0 614.198 5.369 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(Oc3ccccc3)c2)C(C)C)ccc1OC ZINC000143273577 562834859 /nfs/dbraw/zinc/83/48/59/562834859.db2.gz WHRQSTQRIJWMMG-QVWWMRLHSA-N 1 0 562.707 5.558 1 0 KKAFRO C[C@@H]1C[N@@H+](Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@H](C)O1 ZINC000143412717 562834980 /nfs/dbraw/zinc/83/49/80/562834980.db2.gz JOCNOQUWDPPPRY-LYWAIKEGSA-N 1 0 504.634 5.720 1 0 KKAFRO CCCCC[NH2+][C@@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143368169 562834994 /nfs/dbraw/zinc/83/49/94/562834994.db2.gz DOPOFCFAXCHMPP-GHMZBOCLSA-N 1 0 616.034 7.116 1 0 KKAFRO CC(C)[NH2+][C@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143526876 562835144 /nfs/dbraw/zinc/83/51/44/562835144.db2.gz OBORHCMBBBMVJQ-DTWKUNHWSA-N 1 0 587.980 6.334 1 0 KKAFRO CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326016 562836121 /nfs/dbraw/zinc/83/61/21/562836121.db2.gz STDFAKVCYZKPQE-DNQXCXABSA-N 1 0 527.815 8.587 1 0 KKAFRO Cc1ncc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354975 562836138 /nfs/dbraw/zinc/83/61/38/562836138.db2.gz RGUHHMPVBDARCD-UHFFFAOYSA-N 1 0 602.661 5.972 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@@H]3C)n1 ZINC000145958607 562837812 /nfs/dbraw/zinc/83/78/12/562837812.db2.gz PHAAEVVSCUDATH-AWEZNQCLSA-N 1 0 622.019 6.346 1 0 KKAFRO CCc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978164 562837912 /nfs/dbraw/zinc/83/79/12/562837912.db2.gz FNCQKBUUNUZWGP-FQEVSTJZSA-N 1 0 553.585 5.547 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(C)C)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145989780 562837920 /nfs/dbraw/zinc/83/79/20/562837920.db2.gz BECYRHDWMNMQKO-UHFFFAOYSA-N 1 0 529.641 5.097 1 0 KKAFRO Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146185983 562838325 /nfs/dbraw/zinc/83/83/25/562838325.db2.gz LIHQNCVREOPPOC-NRFANRHFSA-N 1 0 567.660 5.370 1 0 KKAFRO Cc1ccc(NC(=O)CC2CCCC2)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000146218784 562838334 /nfs/dbraw/zinc/83/83/34/562838334.db2.gz BRACWNNBDWUPJC-UHFFFAOYSA-N 1 0 554.739 6.085 1 0 KKAFRO Cc1cccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)c1 ZINC000146435321 562838586 /nfs/dbraw/zinc/83/85/86/562838586.db2.gz BIGUAKCWPJNGCV-LDLOPFEMSA-N 1 0 617.797 8.696 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906670 562838878 /nfs/dbraw/zinc/83/88/78/562838878.db2.gz AEJRFQRMYCKSKQ-ARTKTQSDSA-N 1 0 576.540 5.550 1 0 KKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872560 562838896 /nfs/dbraw/zinc/83/88/96/562838896.db2.gz IYBGHBZUXSMOKI-QVWIZILWSA-N 1 0 506.650 6.115 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCC[N@H+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148076967 562840121 /nfs/dbraw/zinc/84/01/21/562840121.db2.gz XDYXHQKLEWICPS-UHFFFAOYSA-N 1 0 620.558 5.604 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148115853 562840251 /nfs/dbraw/zinc/84/02/51/562840251.db2.gz HHOZRAZIULTIFL-HXUWFJFHSA-N 1 0 606.653 5.787 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1 ZINC000148130180 562840255 /nfs/dbraw/zinc/84/02/55/562840255.db2.gz JONUUBFCZUAOFY-UHFFFAOYSA-N 1 0 580.655 5.304 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000148144905 562840307 /nfs/dbraw/zinc/84/03/07/562840307.db2.gz UHEPNRHUGQWKAT-UHFFFAOYSA-N 1 0 626.687 6.993 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148136183 562840334 /nfs/dbraw/zinc/84/03/34/562840334.db2.gz UHQCIULTSFMNFZ-UHFFFAOYSA-N 1 0 576.627 5.939 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148169289 562840391 /nfs/dbraw/zinc/84/03/91/562840391.db2.gz ZUFPJOMYBPLWTQ-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO CC1=Nc2ccc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CCC(C[NH+]7CCCC7)CC6)nc54)c3)cc2C1(C)C ZINC000148374343 562841198 /nfs/dbraw/zinc/84/11/98/562841198.db2.gz KFMMNTCMMWDPGG-UHFFFAOYSA-N 1 0 603.775 6.420 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@@H]3C)n1 ZINC000148438167 562841296 /nfs/dbraw/zinc/84/12/96/562841296.db2.gz GNWXJOMTHJVQCJ-INIZCTEOSA-N 1 0 573.591 6.053 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3[nH]ccc32)n1 ZINC000148445454 562841298 /nfs/dbraw/zinc/84/12/98/562841298.db2.gz HYFWNJPNCXTNLN-UHFFFAOYSA-N 1 0 540.546 5.345 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)ccc5F)cc43)c(NC3CCOCC3)c2)CC1 ZINC000148748570 562841738 /nfs/dbraw/zinc/84/17/38/562841738.db2.gz GHJLZINDIHSFBZ-UHFFFAOYSA-N 1 0 560.649 5.027 1 0 KKAFRO COc1ccc(C)cc1C[N@@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148821432 562841828 /nfs/dbraw/zinc/84/18/28/562841828.db2.gz UVFGVILYSLAPSS-QFIPXVFZSA-N 1 0 501.067 5.325 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148866934 562841910 /nfs/dbraw/zinc/84/19/10/562841910.db2.gz PRZQQYWZXJSACG-SANMLTNESA-N 1 0 508.106 6.054 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148921886 562841973 /nfs/dbraw/zinc/84/19/73/562841973.db2.gz NYZQNXXCSARADX-QFIPXVFZSA-N 1 0 532.031 5.735 1 0 KKAFRO COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523288 562843595 /nfs/dbraw/zinc/84/35/95/562843595.db2.gz SLRFEMWLYDLMLL-NDEPHWFRSA-N 1 0 702.778 6.746 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000150546101 562844438 /nfs/dbraw/zinc/84/44/38/562844438.db2.gz LKZPTSTVIYXXMC-QBWYOZAASA-N 1 0 720.708 7.686 1 0 KKAFRO CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000150550689 562844574 /nfs/dbraw/zinc/84/45/74/562844574.db2.gz OTCWDIPDRRZBOS-DTSDQNDWSA-N 1 0 734.967 8.019 1 0 KKAFRO Cc1c(C(=O)NC2CCN(C(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@H+]5C)[C@H]3O7)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000150557189 562844769 /nfs/dbraw/zinc/84/47/69/562844769.db2.gz PAHRRUIOSCCOPA-CODNDXGISA-N 1 0 864.227 5.220 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586635 562845866 /nfs/dbraw/zinc/84/58/66/562845866.db2.gz OBYMCAPFENXWIY-GOJCVTOHSA-N 1 0 810.768 7.560 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588313 562845984 /nfs/dbraw/zinc/84/59/84/562845984.db2.gz IZLDOWNQXOSBQR-PZSMLTKBSA-N 1 0 820.774 7.015 1 0 KKAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CCN8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846431 /nfs/dbraw/zinc/84/64/31/562846431.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 1 0 656.827 6.361 1 0 KKAFRO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599792 562847054 /nfs/dbraw/zinc/84/70/54/562847054.db2.gz QCDLMADYWHJZRQ-UHFFFAOYSA-N 1 0 676.211 5.777 1 0 KKAFRO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3F)c3ccccc3F)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599777 562847061 /nfs/dbraw/zinc/84/70/61/562847061.db2.gz DFQQZWBQDDXPNU-UHFFFAOYSA-N 1 0 676.211 5.777 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@H]([NH+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000150600910 562847187 /nfs/dbraw/zinc/84/71/87/562847187.db2.gz WVEOCIDEMLGQGM-FKYRRMMPSA-N 1 0 667.796 6.516 1 0 KKAFRO COc1ccc(C(OC(=O)[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150600930 562847203 /nfs/dbraw/zinc/84/72/03/562847203.db2.gz NTQAMCUPIBQLDW-QWIAXYRQSA-N 1 0 701.857 7.626 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CC2(C[C@@H]1c1nc(-c3ccc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)cc3)c[nH]1)CC[NH2+]CC2)C(C)C ZINC000150602432 562847313 /nfs/dbraw/zinc/84/73/13/562847313.db2.gz HKAWUDAITRQWJJ-NBRFXYHLSA-N 1 0 807.997 6.202 1 0 KKAFRO C[NH+]1CCN(c2ccc(F)cc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606266 562847885 /nfs/dbraw/zinc/84/78/85/562847885.db2.gz URWOBHXKJKTXDM-VBTAUBHQSA-N 1 0 664.892 5.428 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000150617845 562848839 /nfs/dbraw/zinc/84/88/39/562848839.db2.gz UGLVIKJMMLMSFT-CYFDYVNOSA-N 1 0 643.829 6.000 1 0 KKAFRO Cc1cc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2Cl)C3=O)ccc1N1CC[NH+](C)CC1 ZINC000163897759 562849477 /nfs/dbraw/zinc/84/94/77/562849477.db2.gz LCIAAEMZZHAWAG-UHFFFAOYSA-N 1 0 650.105 6.408 1 0 KKAFRO Brc1ccc2c(c1)-c1nnc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)n1-c1cccnc1N2 ZINC000163986689 562849533 /nfs/dbraw/zinc/84/95/33/562849533.db2.gz MSXLHWBXRFPWGL-UHFFFAOYSA-N 1 0 631.542 6.376 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc(C3CC[NH+](C)CC3)cn2)c1=O ZINC000164284657 562849579 /nfs/dbraw/zinc/84/95/79/562849579.db2.gz CWCCKSPETMTVKY-UHFFFAOYSA-N 1 0 641.813 6.021 1 0 KKAFRO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4)c3)CC2)cs1 ZINC000166491177 562850472 /nfs/dbraw/zinc/85/04/72/562850472.db2.gz AYGAUWOIVRTSOY-JFAUGGILSA-N 1 0 656.828 6.098 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000167075402 562850623 /nfs/dbraw/zinc/85/06/23/562850623.db2.gz RDMDYYYJDXIUDF-SANMLTNESA-N 1 0 544.606 5.288 1 0 KKAFRO CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c1 ZINC000169291776 562851949 /nfs/dbraw/zinc/85/19/49/562851949.db2.gz XFGAMXRGEXNRGE-WXHXINMQSA-N 1 0 536.760 7.048 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293795 562852123 /nfs/dbraw/zinc/85/21/23/562852123.db2.gz AEXUFSNLZAPTED-NOZRDPDXSA-N 1 0 540.717 6.402 1 0 KKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293939 562852153 /nfs/dbraw/zinc/85/21/53/562852153.db2.gz YULHSCHRHAVYAX-IZZNHLLZSA-N 1 0 548.609 5.977 1 0 KKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293938 562852164 /nfs/dbraw/zinc/85/21/64/562852164.db2.gz YULHSCHRHAVYAX-CLJLJLNGSA-N 1 0 548.609 5.977 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC[NH2+]CCNc4ccnc5ccc(Cl)cc54)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169297901 562852612 /nfs/dbraw/zinc/85/26/12/562852612.db2.gz ZAZHHDGOKKMOSF-IAKKQPNNSA-N 1 0 724.383 7.980 1 0 KKAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169298919 562852725 /nfs/dbraw/zinc/85/27/25/562852725.db2.gz BDCQVJBDZRVSHT-WVKIRZKNSA-N 1 0 529.706 5.112 3 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302334 562853073 /nfs/dbraw/zinc/85/30/73/562853073.db2.gz TZWUUSPAQCAXJW-JGOGGBIOSA-N 1 0 696.373 7.799 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1CCc1ccccc1 ZINC000169303879 562853250 /nfs/dbraw/zinc/85/32/50/562853250.db2.gz OXHSDKVPVMZMSB-VWLOTQADSA-N 1 0 565.592 5.844 3 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3cccc(F)c3)cc2)nn1C ZINC000169308194 562854048 /nfs/dbraw/zinc/85/40/48/562854048.db2.gz BZUHQSWBVRZEHI-UHFFFAOYSA-N 1 0 588.724 7.560 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(NC2CCCCC2)nc1 ZINC000169311252 562855102 /nfs/dbraw/zinc/85/51/02/562855102.db2.gz MQGPTUGZEDOVCK-UHFFFAOYSA-N 1 0 609.697 5.800 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312247 562855308 /nfs/dbraw/zinc/85/53/08/562855308.db2.gz CJPDGBBUNPXIKE-IGYGKHONSA-N 1 0 528.718 7.244 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312231 562855318 /nfs/dbraw/zinc/85/53/18/562855318.db2.gz BAFXUENWHNQFKY-LMSSTIIKSA-N 1 0 500.664 6.464 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n(CCC)n1 ZINC000169312779 562855409 /nfs/dbraw/zinc/85/54/09/562855409.db2.gz FOJXJTMRCAWSQP-UHFFFAOYSA-N 1 0 633.233 8.948 1 0 KKAFRO O=S(=O)(c1ccccc1)n1cc(CCCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccccc21 ZINC000169313087 562855559 /nfs/dbraw/zinc/85/55/59/562855559.db2.gz AFWOHLSEKLBPFK-UHFFFAOYSA-N 1 0 500.664 5.723 1 0 KKAFRO CC[C@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319054 562856138 /nfs/dbraw/zinc/85/61/38/562856138.db2.gz KDMFAGDJSAXTOU-ZLSIYFNSSA-N 1 0 590.884 5.037 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(C(F)(F)F)cc4)cc3)CC2)c1 ZINC000169321670 562856706 /nfs/dbraw/zinc/85/67/06/562856706.db2.gz WRZAJJXVMWKSPZ-UHFFFAOYSA-N 1 0 596.653 7.613 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4C4CCOCC4)cc3)CC2)c1 ZINC000169321678 562856740 /nfs/dbraw/zinc/85/67/40/562856740.db2.gz VCBWUFDWEUOZAT-UHFFFAOYSA-N 1 0 536.676 5.957 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322863 562856904 /nfs/dbraw/zinc/85/69/04/562856904.db2.gz HWAUYKQFORRSRY-UHFFFAOYSA-N 1 0 612.218 7.646 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)N(C)CC[NH+](C)C)C(C)C ZINC000169324077 562857279 /nfs/dbraw/zinc/85/72/79/562857279.db2.gz MANLQMSVKREPRE-ZMKZTNCQSA-N 1 0 725.983 5.359 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324436 562857368 /nfs/dbraw/zinc/85/73/68/562857368.db2.gz FRQTXBXXLGDXFC-UHFFFAOYSA-N 1 0 605.827 7.773 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCn1cnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327046 562857971 /nfs/dbraw/zinc/85/79/71/562857971.db2.gz MOKRRZZUIXVYOM-UHFFFAOYSA-N 1 0 635.691 6.297 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4cc5ccccc5nc4Cl)C3)cc2s1)C1CCCC1 ZINC000169327445 562858105 /nfs/dbraw/zinc/85/81/05/562858105.db2.gz QSRAUCHIUXNTQL-IRLDBZIGSA-N 1 0 562.139 6.914 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(I)cc2)nc2ccc(I)cc21 ZINC000169333368 562859256 /nfs/dbraw/zinc/85/92/56/562859256.db2.gz HXYBTPJSCBOBKY-VWLOTQADSA-N 1 0 628.336 7.047 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc21 ZINC000169333818 562859333 /nfs/dbraw/zinc/85/93/33/562859333.db2.gz HANXFBLVRPWYCA-PMERELPUSA-N 1 0 527.149 8.068 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCN(C)CC1)C(=O)NC1CC1 ZINC000169333984 562859394 /nfs/dbraw/zinc/85/93/94/562859394.db2.gz VQMZHWILWZGAHX-WFVRZCLESA-N 1 0 560.893 5.710 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc21 ZINC000169333930 562859412 /nfs/dbraw/zinc/85/94/12/562859412.db2.gz AFPLMZWVTFSQHI-GDLZYMKVSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334049 562859432 /nfs/dbraw/zinc/85/94/32/562859432.db2.gz AUGWPXBRUKPGNL-DEOSSOPVSA-N 1 0 541.441 7.727 1 0 KKAFRO OCCSc1nc2ccccc2n1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000169334315 562859449 /nfs/dbraw/zinc/85/94/49/562859449.db2.gz QFDKSSOSLXXPLS-UHFFFAOYSA-N 1 0 521.677 6.648 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334586 562859506 /nfs/dbraw/zinc/85/95/06/562859506.db2.gz SIAWVBXBHGWYJF-KOSHJBKYSA-N 1 0 516.340 8.171 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c1cccc2C(F)(F)F ZINC000169334578 562859515 /nfs/dbraw/zinc/85/95/15/562859515.db2.gz OOFBDZQLMNMJQW-XPHRKCLFSA-N 1 0 502.665 7.657 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334584 562859532 /nfs/dbraw/zinc/85/95/32/562859532.db2.gz SIAWVBXBHGWYJF-HOYKHHGWSA-N 1 0 516.340 8.171 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCN(C)CC1)C(=O)N1CCCCC1 ZINC000169335104 562859603 /nfs/dbraw/zinc/85/96/03/562859603.db2.gz BOZRJGVYKZFMST-IITYBUKQSA-N 1 0 588.947 6.444 1 0 KKAFRO CC(C)CCC[N@H+](CCC(C)C)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336022 562859796 /nfs/dbraw/zinc/85/97/96/562859796.db2.gz WCYISUHZAVDJIH-QHCPKHFHSA-N 1 0 504.559 7.604 1 0 KKAFRO CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1cccc3c1CCC[C@H]3CCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000169337004 562859914 /nfs/dbraw/zinc/85/99/14/562859914.db2.gz HHJGRBDKYZTYNV-PMERELPUSA-N 1 0 628.902 7.138 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Oc2cccc(C(F)(F)F)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169337013 562859915 /nfs/dbraw/zinc/85/99/15/562859915.db2.gz LCYZHTMZWWSSGK-AREMUKBSSA-N 1 0 528.442 8.893 1 0 KKAFRO CCCC[NH+](CCCC)CCCCCCOc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000169342786 562861054 /nfs/dbraw/zinc/86/10/54/562861054.db2.gz FQFUKTCPJFQACE-SSEXGKCCSA-N 1 0 510.763 6.975 1 0 KKAFRO COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000169344647 562861414 /nfs/dbraw/zinc/86/14/14/562861414.db2.gz AXFCKENUDNTMRB-UHFFFAOYSA-N 1 0 641.700 5.326 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000169344648 562861439 /nfs/dbraw/zinc/86/14/39/562861439.db2.gz WQROZMCEHXFGBY-UHFFFAOYSA-N 1 0 654.743 5.241 1 0 KKAFRO CSc1ccc(NC(=O)Nc2ccc(O[C@@H](CC[NH+](C)C)c3ccccc3)cc2)cc1C(F)(F)F ZINC000169345053 562861486 /nfs/dbraw/zinc/86/14/86/562861486.db2.gz DTCJIWRORHJYFT-QHCPKHFHSA-N 1 0 503.590 7.143 1 0 KKAFRO CCOC(=O)CCC(=O)Nc1cccc(CCC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346310 562861768 /nfs/dbraw/zinc/86/17/68/562861768.db2.gz FLUCPAWFRUKRIM-PTYIDMFESA-N 1 0 504.671 5.365 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccc(C(C)(C)C)cc4)s3)c3c2c(C(F)(F)F)ccc3O)CC1 ZINC000169347485 562861949 /nfs/dbraw/zinc/86/19/49/562861949.db2.gz BHFWFSACFRIJPQ-UHFFFAOYSA-N 1 0 649.827 9.502 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3csc(Cl)n3)c3c2c(Cl)ccc3O)CC1 ZINC000169348366 562862156 /nfs/dbraw/zinc/86/21/56/562862156.db2.gz RPDNRVUBIPFLJN-UHFFFAOYSA-N 1 0 560.551 7.331 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348462 562862253 /nfs/dbraw/zinc/86/22/53/562862253.db2.gz CBTOBBZXHHAHOX-BHVANESWSA-N 1 0 676.858 6.208 1 0 KKAFRO CC(C)(C)NC(=O)C1(N(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348493 562862316 /nfs/dbraw/zinc/86/23/16/562862316.db2.gz CVFSURDYUVEEQK-YTTGMZPUSA-N 1 0 610.799 5.465 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350715 562862911 /nfs/dbraw/zinc/86/29/11/562862911.db2.gz YKAPPPKEWGESSK-UHFFFAOYSA-N 1 0 667.738 6.545 1 0 KKAFRO O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353019 562863335 /nfs/dbraw/zinc/86/33/35/562863335.db2.gz JRWMGKBZYBCNSS-DIPNUNPCSA-N 1 0 691.251 7.894 1 0 KKAFRO O=C(OC[C@H]([C@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353032 562863352 /nfs/dbraw/zinc/86/33/52/562863352.db2.gz OVBWQROKKIVGSL-NBWQQBAWSA-N 1 0 638.816 7.102 1 0 KKAFRO CCN(CC)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697640 562866492 /nfs/dbraw/zinc/86/64/92/562866492.db2.gz BXMVUEBGZCWIKD-UHFFFAOYSA-N 1 0 614.798 6.154 1 0 KKAFRO CC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697634 562866494 /nfs/dbraw/zinc/86/64/94/562866494.db2.gz YQFLDUBZECPVCJ-UHFFFAOYSA-N 1 0 531.664 6.054 1 0 KKAFRO CCC(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697643 562866515 /nfs/dbraw/zinc/86/65/15/562866515.db2.gz RXORTACENZHOOR-UHFFFAOYSA-N 1 0 572.717 5.128 1 0 KKAFRO CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702183 562868224 /nfs/dbraw/zinc/86/82/24/562868224.db2.gz UZGVFWVIJIASHB-DEOSSOPVSA-N 1 0 523.685 5.022 1 0 KKAFRO CC[C@@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702184 562868243 /nfs/dbraw/zinc/86/82/43/562868243.db2.gz QPQCFJGDSQXNPS-RUZDIDTESA-N 1 0 565.722 5.094 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702186 562868277 /nfs/dbraw/zinc/86/82/77/562868277.db2.gz ZVYLPIANXUPJKW-UHFFFAOYSA-N 1 0 510.642 5.178 1 0 KKAFRO COc1cc(C(=O)NC2C[C@H]3CC(C)C[C@@H](C2)[NH2+]3)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000169702369 562868309 /nfs/dbraw/zinc/86/83/09/562868309.db2.gz GWRFPFSKYNEFSZ-SFWXWQOYSA-N 1 0 563.706 5.044 1 0 KKAFRO COc1cc(C(=O)NC2CC([NH+]3CCCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702382 562868347 /nfs/dbraw/zinc/86/83/47/562868347.db2.gz MITWYEBGOUVZSR-UHFFFAOYSA-N 1 0 584.124 5.405 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OCCC[NH+](C)C)cc3Cl)nc1-2 ZINC000169702504 562868409 /nfs/dbraw/zinc/86/84/09/562868409.db2.gz NOOGZOLAKXALDZ-UHFFFAOYSA-N 1 0 503.050 5.679 1 0 KKAFRO C[C@H](O)C(=O)N(C[C@@H]1C[NH2+]C[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702688 562868521 /nfs/dbraw/zinc/86/85/21/562868521.db2.gz PBKOVUPJUCCOOS-IPFHOXPHSA-N 1 0 529.603 5.065 1 0 KKAFRO C[C@H](O)C(=O)N(CC[C@H]([NH3+])CF)[C@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702690 562868523 /nfs/dbraw/zinc/86/85/23/562868523.db2.gz QBRBRGZPDHLDGV-APJQNUAFSA-N 1 0 517.592 5.194 1 0 KKAFRO CCOc1cc(C[NH+]2CCC3(CN(c4ccc(-c5nn[nH]n5)cc4OC)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702637 562868525 /nfs/dbraw/zinc/86/85/25/562868525.db2.gz DVLBOHHLYAOWBE-UHFFFAOYSA-N 1 0 602.667 5.470 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704476 562869002 /nfs/dbraw/zinc/86/90/02/562869002.db2.gz ROURVAIYUMZZBW-AREMUKBSSA-N 1 0 591.552 6.883 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1cccc(F)c1 ZINC000169704530 562869024 /nfs/dbraw/zinc/86/90/24/562869024.db2.gz LIVRILFSCBVYNA-SANMLTNESA-N 1 0 555.528 5.723 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@H]1CCc1ccccc1 ZINC000169704550 562869070 /nfs/dbraw/zinc/86/90/70/562869070.db2.gz WURDPAAKPUIYKI-SANMLTNESA-N 1 0 521.583 6.115 3 0 KKAFRO [NH3+]C1(c2ccc(-n3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705896 562869775 /nfs/dbraw/zinc/86/97/75/562869775.db2.gz KFFWZICUIQRATA-UHFFFAOYSA-N 1 0 536.079 6.582 1 0 KKAFRO COc1ccc(-c2nc3ccc(-c4cccc(N5CCOCC5)c4)nc3n2-c2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC000169705893 562869783 /nfs/dbraw/zinc/86/97/83/562869783.db2.gz FHMAAJGJPPWXPV-UHFFFAOYSA-N 1 0 531.660 5.938 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000169707556 562870067 /nfs/dbraw/zinc/87/00/67/562870067.db2.gz WAMUDGRAEZGYDU-UHFFFAOYSA-N 1 0 658.653 5.138 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH2+]CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711507 562870982 /nfs/dbraw/zinc/87/09/82/562870982.db2.gz LMTMHIZMYKECLF-UHFFFAOYSA-N 1 0 527.625 5.523 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C)CC5)cc4)c3)c(OC)cc21 ZINC000169711549 562871020 /nfs/dbraw/zinc/87/10/20/562871020.db2.gz QZNGNIYYGNHTQG-UHFFFAOYSA-N 1 0 513.598 5.086 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC000169711556 562871045 /nfs/dbraw/zinc/87/10/45/562871045.db2.gz IBEMWGKDJKIFLP-UHFFFAOYSA-N 1 0 527.625 5.476 1 0 KKAFRO Cc1csc2nc(Cc3ccc(C(=O)c4cccc(N[N+](=O)c5cccc(C(=O)c6ccc(Cc7nc8scc(C)c8c(=O)o7)cc6)c5)c4)cc3)oc(=O)c12 ZINC000169716206 562871270 /nfs/dbraw/zinc/87/12/70/562871270.db2.gz LMCJEAULQIGYOU-UHFFFAOYSA-N 1 0 765.849 8.510 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](CCc2ccccc2)C1=O ZINC000195449618 562871877 /nfs/dbraw/zinc/87/18/77/562871877.db2.gz LVWYTEIVGDGPOX-URLMMPGGSA-N 1 0 538.688 5.701 1 0 KKAFRO CC[NH+](CC)Cc1ccc(OCC[C@H]2CC[C@@H]3[C@@H]4[C@H](C)Cc5cc(O)ccc5[C@@H]4CC[C@]23C)c(OC)c1 ZINC000201709876 562873562 /nfs/dbraw/zinc/87/35/62/562873562.db2.gz OHCPNHFLPCVWRG-WBGPOCLVSA-N 1 0 505.743 7.430 1 0 in-man KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000203755314 562874091 /nfs/dbraw/zinc/87/40/91/562874091.db2.gz YXTYFTYDCQXMNE-HVPBSWBLSA-N 1 0 575.069 5.225 1 0 KKAFRO COc1cc(-c2cc3c(cc2F)ncc(C(=O)C2CC2)c3Nc2ccc(N3CC[NH2+]CC3)nc2)cc(Cl)c1O ZINC000203805584 562874176 /nfs/dbraw/zinc/87/41/76/562874176.db2.gz ZHCMYLBONKXEKL-UHFFFAOYSA-N 1 0 548.018 5.549 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423894 562874458 /nfs/dbraw/zinc/87/44/58/562874458.db2.gz KIYKQIDKJXPBAJ-JOCHJYFZSA-N 1 0 514.678 5.079 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@H]([N@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422812 562874487 /nfs/dbraw/zinc/87/44/87/562874487.db2.gz VVYWQZGWGMFFKQ-AMGIVPHBSA-N 1 0 544.704 5.051 1 0 KKAFRO Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC([NH+]7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204956255 562874639 /nfs/dbraw/zinc/87/46/39/562874639.db2.gz LQLJOSBZSDCEPQ-UHFFFAOYSA-N 1 0 542.688 5.423 1 0 KKAFRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F ZINC000205328070 562875095 /nfs/dbraw/zinc/87/50/95/562875095.db2.gz RBMXCWNRSJYYIJ-HSZRJFAPSA-N 1 0 511.576 5.290 1 0 KKAFRO CCN(c1cc(-c2ccc(N3CCC([NH+](C)C)CC3)nc2)cc(C(=O)NCc2c(=O)[nH]c(C)cc2C(C)C)c1C)C1CCOCC1 ZINC000205713623 562875717 /nfs/dbraw/zinc/87/57/17/562875717.db2.gz RMZUMPMWMNRRJH-UHFFFAOYSA-N 1 0 628.862 5.643 1 0 KKAFRO Cc1ccc(Cl)cc1N1C(=O)c2nn(CCN3CC[NH+](C)CC3)c(C(C)C)c2[C@H]1c1ccc(Cl)cc1C ZINC000206144877 562876377 /nfs/dbraw/zinc/87/63/77/562876377.db2.gz UNZCOOAPYFTFKR-MUUNZHRXSA-N 1 0 540.539 5.927 1 0 KKAFRO CCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCC[NH+](C)C)C2=O ZINC000206145018 562876396 /nfs/dbraw/zinc/87/63/96/562876396.db2.gz ZYJZAJSSCZJWTL-AREMUKBSSA-N 1 0 515.485 6.332 1 0 KKAFRO CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)cc1 ZINC000206426749 562876432 /nfs/dbraw/zinc/87/64/32/562876432.db2.gz ZNUCWEWRKWERKX-UHFFFAOYSA-N 1 0 540.595 5.345 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000206289926 562876440 /nfs/dbraw/zinc/87/64/40/562876440.db2.gz ZSOHBIYTNTYVNQ-WRENHGGMSA-N 1 0 534.695 6.628 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000206207555 562876445 /nfs/dbraw/zinc/87/64/45/562876445.db2.gz KFULLRVEXLNFMP-UHFFFAOYSA-N 1 0 650.105 6.408 1 0 KKAFRO COC(=O)N(C)[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@@H]1C ZINC000207286937 562876740 /nfs/dbraw/zinc/87/67/40/562876740.db2.gz OLIOBBIZJBFLQG-PSTLZIQHSA-N 1 0 541.574 5.029 1 0 KKAFRO CC(C)(C)c1ccc(CC[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(OCCCCc5ccccc5)cc4F)ccc3C2)cc1 ZINC000216494487 562877468 /nfs/dbraw/zinc/87/74/68/562877468.db2.gz OCUNYJSVMZDBNU-UHFFFAOYSA-N 1 0 614.827 7.927 1 0 KKAFRO NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CC[NH2+]CC3)cc2OC(F)(F)F)ncc1C(F)(F)F ZINC000219357723 562878081 /nfs/dbraw/zinc/87/80/81/562878081.db2.gz WEXDYWPJRYUSAD-UHFFFAOYSA-N 1 0 567.534 5.418 1 0 KKAFRO COc1cc(-c2cc3c(cc2F)ncc(C(=O)C2CC2)c3Nc2ccc(C[NH+](C)C)cc2)cc(Cl)c1O ZINC000219360975 562878101 /nfs/dbraw/zinc/87/81/01/562878101.db2.gz KMLDENAOTCPOMZ-UHFFFAOYSA-N 1 0 520.004 6.806 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2cccnc2)C(C)C)C(C)C)ccc1OC ZINC000220154609 562878377 /nfs/dbraw/zinc/87/83/77/562878377.db2.gz ZWKQICRKKNWYIZ-ORYMTKCHSA-N 1 0 599.857 5.446 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221457968 562878994 /nfs/dbraw/zinc/87/89/94/562878994.db2.gz APIRGAOTKZFKAS-UHFFFAOYSA-N 1 0 513.642 5.254 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc12 ZINC000221457814 562879001 /nfs/dbraw/zinc/87/90/01/562879001.db2.gz HMTBXSCYSXEFRI-UHFFFAOYSA-N 1 0 590.168 7.078 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c1C ZINC000221774300 562879233 /nfs/dbraw/zinc/87/92/33/562879233.db2.gz YESGBPOKGYFIJN-ULJHMMPZSA-N 1 0 523.637 5.518 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000221768879 562879248 /nfs/dbraw/zinc/87/92/48/562879248.db2.gz KOSLTNNOSABCDI-PGMHBOJBSA-N 1 0 538.677 5.135 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccc(Br)c5)n4)cc32)c1C ZINC000221773908 562879251 /nfs/dbraw/zinc/87/92/51/562879251.db2.gz MHFFFUSHQUENOV-JLPGSUDCSA-N 1 0 618.601 6.749 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C(F)(F)F)cc1F ZINC000222119965 562879684 /nfs/dbraw/zinc/87/96/84/562879684.db2.gz BHCGVCIDYXFAEL-UHFFFAOYSA-N 1 0 699.105 7.935 1 0 KKAFRO Cc1sc2c(nc(-c3ccncc3)nc2NC[C@@H]([NH3+])Cc2ccccc2)c1-c1cc(C)ccc1OC(C)C ZINC000223677639 562880147 /nfs/dbraw/zinc/88/01/47/562880147.db2.gz VQDQGFDRPVJYEG-DEOSSOPVSA-N 1 0 523.706 6.806 1 0 KKAFRO Cc1ccc(Cl)cc1N1C(=O)c2nn(C3CC[NH+](C)CC3)c(C(C)C)c2[C@@H]1c1ccc(Cl)cc1C ZINC000224056322 562880197 /nfs/dbraw/zinc/88/01/97/562880197.db2.gz GNUPSFNBJBWYRB-MHZLTWQESA-N 1 0 511.497 6.947 1 0 KKAFRO COc1ccc(C(=O)NCC[NH+]2CCCC2)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224128190 562880409 /nfs/dbraw/zinc/88/04/09/562880409.db2.gz YVYATCZGDDDVSH-UUWRZZSWSA-N 1 0 660.646 7.503 1 0 KKAFRO CC(C)(C)c1ccc(CC[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000224836954 562880592 /nfs/dbraw/zinc/88/05/92/562880592.db2.gz ZCEZZOOCNDPJEZ-UHFFFAOYSA-N 1 0 592.821 7.874 1 0 KKAFRO O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CCOC3)CC2)CC1 ZINC000253638630 562882492 /nfs/dbraw/zinc/88/24/92/562882492.db2.gz MVXMOYOFQUJRHY-YCVRVPNXSA-N 1 0 594.640 7.381 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@H](CC[NH+]2CCC(Cc3cccc(C(F)(F)F)c3)CC2)CC1)c1ccc(Cl)cc1 ZINC000253665584 562882673 /nfs/dbraw/zinc/88/26/73/562882673.db2.gz KUPGAPXCPCXKDD-WBANQOEISA-N 1 0 543.095 6.541 1 0 KKAFRO CCCC[NH2+][C@H]1CC[C@H](Nc2nc3c(ncn3C(C)C)c(NCc3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000253677686 562882778 /nfs/dbraw/zinc/88/27/78/562882778.db2.gz KTGOKVMMIIJIPW-MCZWQBSQSA-N 1 0 511.718 6.799 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)c(OC)c4)cc3)ccc2OC)c1 ZINC000299826165 562883788 /nfs/dbraw/zinc/88/37/88/562883788.db2.gz FNUSMKMVBNMTAF-UHFFFAOYSA-N 1 0 552.671 6.772 1 0 KKAFRO O=C(CN(CC(=O)NCc1ccccc1F)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000299827107 562884061 /nfs/dbraw/zinc/88/40/61/562884061.db2.gz FZRCJAUMMMQALV-UHFFFAOYSA-N 1 0 573.496 5.260 1 0 KKAFRO COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@@H]3[C@H]([NH+]4CCCC4)CCC[C@@H]32)cc1 ZINC000299831471 562885589 /nfs/dbraw/zinc/88/55/89/562885589.db2.gz QBCJXEWVKYBDNG-FULLSBAXSA-N 1 0 516.513 5.274 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C)c2C)cc1F ZINC000299832287 562885814 /nfs/dbraw/zinc/88/58/14/562885814.db2.gz FTNYLEQWPAHOGD-UHFFFAOYSA-N 1 0 624.717 6.879 1 0 KKAFRO C[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)N1C(=O)OC(C)(C)C ZINC000299833096 562886050 /nfs/dbraw/zinc/88/60/50/562886050.db2.gz HLSFNIKGKKTOIA-QNLPTKCRSA-N 1 0 609.815 7.606 1 0 KKAFRO CC[NH+](CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc21 ZINC000299833321 562886137 /nfs/dbraw/zinc/88/61/37/562886137.db2.gz RPNWDWSNBKLJEO-UHFFFAOYSA-N 1 0 529.497 7.063 1 0 KKAFRO CN(C(=O)CN(CC(=O)N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299833626 562886238 /nfs/dbraw/zinc/88/62/38/562886238.db2.gz VCTDLPFXKKOYRY-VWLOTQADSA-N 1 0 581.544 5.086 1 0 KKAFRO CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCCCCCCCCC[NH+](C)C)cc1 ZINC000299835374 562886844 /nfs/dbraw/zinc/88/68/44/562886844.db2.gz DSVQYYJVKMYUOS-UHFFFAOYSA-N 1 0 534.789 7.190 1 0 KKAFRO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCN(C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836392 562887172 /nfs/dbraw/zinc/88/71/72/562887172.db2.gz ZQMJKQGLBIJIRP-UMSFTDKQSA-N 1 0 575.797 7.185 1 0 KKAFRO C[N@@H+]1CCC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836562 562887266 /nfs/dbraw/zinc/88/72/66/562887266.db2.gz NPDBZGWDNRJYIQ-OAQYLSRUSA-N 1 0 542.647 6.610 1 0 KKAFRO COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CC[NH+](C)CC4)cc3-c3cccc(Cl)c3)ccc2OC)c1 ZINC000299837140 562887389 /nfs/dbraw/zinc/88/73/89/562887389.db2.gz JFTPUOPLBLAKQH-UHFFFAOYSA-N 1 0 585.144 7.137 1 0 KKAFRO COc1cc(C(N)=O)ccc1-c1ccccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)cc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000299838954 562888014 /nfs/dbraw/zinc/88/80/14/562888014.db2.gz PCNRIOJTMIDSNX-LHBLQTBJSA-N 1 0 689.615 7.296 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299839073 562888047 /nfs/dbraw/zinc/88/80/47/562888047.db2.gz PQSNRDVTULIWRQ-UHFFFAOYSA-N 1 0 767.656 6.905 1 0 KKAFRO COc1cc(OC)cc(OCc2ccc(CC[NH+]3CCN(c4ccc(Br)cc4)CC3)cc2)c1 ZINC000299839575 562888241 /nfs/dbraw/zinc/88/82/41/562888241.db2.gz SONKUEVIMAXRAH-UHFFFAOYSA-N 1 0 511.460 5.410 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299840681 562888614 /nfs/dbraw/zinc/88/86/14/562888614.db2.gz YMRRKOBNWNFHRC-UHFFFAOYSA-N 1 0 706.750 6.282 1 0 KKAFRO COc1cccc(-c2cc(OC3CC[NH+](C)CC3)ccc2CCNC(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1 ZINC000299840715 562888639 /nfs/dbraw/zinc/88/86/39/562888639.db2.gz YZRYAZUQVCMDRS-UHFFFAOYSA-N 1 0 580.725 6.492 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)nc3)ccc2OC)c1 ZINC000299840821 562888672 /nfs/dbraw/zinc/88/86/72/562888672.db2.gz WJLFXQQQJBUNHD-UHFFFAOYSA-N 1 0 523.633 6.158 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299840875 562888720 /nfs/dbraw/zinc/88/87/20/562888720.db2.gz ZVWQYOMIWOAPBC-UHFFFAOYSA-N 1 0 673.745 7.381 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@@H]2Cc1cccnc1 ZINC000299847916 562890102 /nfs/dbraw/zinc/89/01/02/562890102.db2.gz YWFBIWIPVKDFLH-CIIJCPIJSA-N 1 0 583.798 6.259 1 0 KKAFRO c1cc2[nH]c1=C(c1ccccc1)C1=[NH+]C(=C(c3ccccc3)[C@H]3C=CC(=N3)C(c3ccccc3)C3=N[C@H](C=C3)C=2c2ccccc2)C=C1 ZINC000299854822 562891472 /nfs/dbraw/zinc/89/14/72/562891472.db2.gz AKYTWGZKHPYPDZ-LBHGOSKOSA-N 1 0 616.768 7.167 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 562891600 /nfs/dbraw/zinc/89/16/00/562891600.db2.gz DEYKOEXQQNSWIG-VWLOTQADSA-N 1 0 539.164 5.145 1 0 KKAFRO COc1cc2oc(-c3cccc(OCC(=O)NCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299858881 562892572 /nfs/dbraw/zinc/89/25/72/562892572.db2.gz FADJQYHZGWQLHV-UHFFFAOYSA-N 1 0 700.232 7.734 1 0 KKAFRO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299859786 562892835 /nfs/dbraw/zinc/89/28/35/562892835.db2.gz YNEOXSGSPJEFQN-UHFFFAOYSA-N 1 0 587.493 6.081 1 0 KKAFRO CCOc1cncc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299860220 562892911 /nfs/dbraw/zinc/89/29/11/562892911.db2.gz IVOYYBFJNXIZQL-HINUPRAASA-N 1 0 591.718 7.523 1 0 KKAFRO C[C@H](CCC[NH+]1CCN(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 562892966 /nfs/dbraw/zinc/89/29/66/562892966.db2.gz GPVXIGQHZJBBLC-OEZDDPMWSA-N 1 0 514.839 6.123 1 0 KKAFRO COc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 ZINC000299863011 562893738 /nfs/dbraw/zinc/89/37/38/562893738.db2.gz OKHWONPCPOWIAL-HINUPRAASA-N 1 0 576.703 7.738 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1cccc(C(=O)Nc3cc(-c4cccs4)ccc3N)c1)CC2 ZINC000299864930 562894242 /nfs/dbraw/zinc/89/42/42/562894242.db2.gz SEHZWARTKKUTQR-LJAQVGFWSA-N 1 0 663.796 7.088 1 0 KKAFRO COc1cc2oc(-c3ccc(OCC(=O)NCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299865641 562894482 /nfs/dbraw/zinc/89/44/82/562894482.db2.gz OBCLASMEKFCULV-UHFFFAOYSA-N 1 0 658.151 6.563 1 0 KKAFRO COc1ccccc1-c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865750 562894501 /nfs/dbraw/zinc/89/45/01/562894501.db2.gz ULCUQTYKXUQEQA-HFFCRWFYSA-N 1 0 576.703 7.738 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 ZINC000299867300 562894862 /nfs/dbraw/zinc/89/48/62/562894862.db2.gz XVLPHLABYJZKGZ-YFWZTWDESA-N 1 0 563.502 7.386 1 0 KKAFRO C[NH+](C)[C@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867330 562894877 /nfs/dbraw/zinc/89/48/77/562894877.db2.gz QELXIUMTFWOZOW-SANMLTNESA-N 1 0 548.518 6.876 1 0 KKAFRO 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)CCC[NH+]2CCOCC2)[C@@]1(C)CC3 ZINC000299868982 562895217 /nfs/dbraw/zinc/89/52/17/562895217.db2.gz SXJKLSRQSPZJGZ-WVTHHNSMSA-N 1 0 513.807 7.416 1 0 KKAFRO Cc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871644 562895722 /nfs/dbraw/zinc/89/57/22/562895722.db2.gz YYMPRYMXNROTIP-XMMPIXPASA-N 1 0 534.582 5.715 1 0 KKAFRO CN1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473082482 562896707 /nfs/dbraw/zinc/89/67/07/562896707.db2.gz IIUNRDLMIHCWET-GDLZYMKVSA-N 1 0 607.763 5.391 1 0 KKAFRO CO[C@@H]1C[C@@](CC[N@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473082449 562896719 /nfs/dbraw/zinc/89/67/19/562896719.db2.gz HQBVENHUOCSWIS-SXQNJKPJSA-N 1 0 523.693 6.426 1 0 KKAFRO c1ccc2cc(-c3nc4ncccn4c3CN3CCN(Cc4c(-c5ccc6ccccc6c5)nc5ncccn45)CC3)ccc2c1 ZINC000473090060 562897454 /nfs/dbraw/zinc/89/74/54/562897454.db2.gz UOFVOXSYFBDMBT-UHFFFAOYSA-N 1 0 600.730 6.730 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3cccc(C(F)(F)F)c3)c(=O)n2C)cc1F ZINC000473090790 562897587 /nfs/dbraw/zinc/89/75/87/562897587.db2.gz PGGOVVVVCUOUOM-UHFFFAOYSA-N 1 0 722.740 6.260 1 0 KKAFRO COc1ccc2c(c1)CCOC21CC[NH+](CC[C@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000473100650 562898080 /nfs/dbraw/zinc/89/80/80/562898080.db2.gz JBPGVGKLUHRKDA-NDEPHWFRSA-N 1 0 588.617 6.346 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(CC1)OCCc1ccccc12)C1CC1 ZINC000473106860 562898276 /nfs/dbraw/zinc/89/82/76/562898276.db2.gz YKBMRTZYUFOORD-XMMPIXPASA-N 1 0 554.575 6.321 1 0 KKAFRO O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 ZINC000473109103 562898455 /nfs/dbraw/zinc/89/84/55/562898455.db2.gz PPJHFLILDOHJMC-MHZLTWQESA-N 1 0 558.591 6.338 1 0 KKAFRO CC[NH+](CC)CCOCC[C@@]1(C)CC[C@H]2[C@@H]3[C@H](C)Cc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@@]21C ZINC000473114572 562898962 /nfs/dbraw/zinc/89/89/62/562898962.db2.gz NUFQUHNSEDWNJT-JMNOYPNBSA-N 1 0 506.753 5.126 1 0 KKAFRO FC(F)(F)c1ccc(O[C@H](CCN2CCN(C(=S)NCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473135750 562900839 /nfs/dbraw/zinc/90/08/39/562900839.db2.gz KIGSQTASCYFZAY-HHHXNRCGSA-N 1 0 527.656 5.950 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000473144671 562901264 /nfs/dbraw/zinc/90/12/64/562901264.db2.gz BVAFOIYVJDIOLI-NAKRPHOHSA-N 1 0 551.580 5.781 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@H](C)c2ccc(Cl)cc2)C(C)C)C(C)C)ccc1OC ZINC000473148569 562901481 /nfs/dbraw/zinc/90/14/81/562901481.db2.gz GKPHWTLKUOPGKY-BYPQZWCFSA-N 1 0 591.233 6.197 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C)C)cc1NC(=O)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F ZINC000473149206 562901499 /nfs/dbraw/zinc/90/14/99/562901499.db2.gz JCRMFUNQITWXKD-UHFFFAOYSA-N 1 0 518.492 5.018 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 562901794 /nfs/dbraw/zinc/90/17/94/562901794.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N 1 0 552.090 6.299 1 0 KKAFRO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(OCCCN2CC[NH+](CC)CC2)cc1 ZINC000473153102 562901912 /nfs/dbraw/zinc/90/19/12/562901912.db2.gz YRGQOMBEKVGZRN-UHFFFAOYSA-N 1 0 530.591 5.002 1 0 KKAFRO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3cc(C(F)(F)F)c(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473182926 562903552 /nfs/dbraw/zinc/90/35/52/562903552.db2.gz AMVINJQBLYGSSE-RZDIXWSQSA-N 1 0 580.478 7.480 1 0 KKAFRO CC(=O)c1c(C)[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473183399 562903589 /nfs/dbraw/zinc/90/35/89/562903589.db2.gz ZQLZSVZVVIDGDF-IRJFHVNHSA-N 1 0 500.470 6.379 1 0 KKAFRO COc1ccc(COc2ccc(Cn3c(N)[nH+]c4cc(-c5ccc(P(C)(C)=O)nc5)ccc43)cc2OC)cc1 ZINC000473210249 562903888 /nfs/dbraw/zinc/90/38/88/562903888.db2.gz ZQGBDVIGTTVIFV-UHFFFAOYSA-N 1 0 542.576 5.403 1 0 KKAFRO O=C([O-])C[N@@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215206 562903942 /nfs/dbraw/zinc/90/39/42/562903942.db2.gz BULRYAVAAXWJIN-NNKIXODWSA-N 1 0 504.719 5.827 1 0 KKAFRO O=C([O-])C[N@@H+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215480 562904005 /nfs/dbraw/zinc/90/40/05/562904005.db2.gz PBFOKAUOKPNWJD-XMVZRQGPSA-N 1 0 504.719 5.827 1 0 KKAFRO NC(=O)CN1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215423 562904023 /nfs/dbraw/zinc/90/40/23/562904023.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 1 0 517.762 5.618 1 0 KKAFRO O=C([O-])C[N@@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215284 562904038 /nfs/dbraw/zinc/90/40/38/562904038.db2.gz FNNTUUAZDHJXRL-JBFJIUAJSA-N 1 0 518.746 6.217 1 0 KKAFRO O=C([O-])CC[N@@H+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236387 562904692 /nfs/dbraw/zinc/90/46/92/562904692.db2.gz BUMNUGUJAXCPDW-MVQHYNIRSA-N 1 0 546.800 6.682 1 0 KKAFRO CCN(c1cc(-c2ccncc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244475 562904825 /nfs/dbraw/zinc/90/48/25/562904825.db2.gz MGORGRYNMHIVNF-DIVCQZSQSA-N 1 0 515.702 5.404 1 0 KKAFRO CCN(c1cc(-c2ccccc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245312 562904966 /nfs/dbraw/zinc/90/49/66/562904966.db2.gz XMMOMYOXDCLFLI-MCZWQBSQSA-N 1 0 514.714 6.009 1 0 KKAFRO COc1ccc(-n2c(C)c(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCC(C)CC6)c(OC)cc54)c(F)c3)n(C)c2=O)cc1 ZINC000474609704 562905642 /nfs/dbraw/zinc/90/56/42/562905642.db2.gz SUHDURNUKWIUMA-UHFFFAOYSA-N 1 0 683.781 6.734 1 0 KKAFRO COc1ccc(CCNc2ccc3c(c2)CC[N@@H+](CC(=O)NCc2ccccc2)[C@H]3Cc2ccc(OC)c(OC)c2)cc1OC ZINC000474609928 562905768 /nfs/dbraw/zinc/90/57/68/562905768.db2.gz XJJBZALXBSSBSQ-YTTGMZPUSA-N 1 0 609.767 5.834 1 0 KKAFRO C[N@H+](CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000653663076 562905920 /nfs/dbraw/zinc/90/59/20/562905920.db2.gz YOWBCPUSBOPPMF-HSZRJFAPSA-N 1 0 521.731 6.049 1 0 KKAFRO C[N@H+](CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000653663077 562905927 /nfs/dbraw/zinc/90/59/27/562905927.db2.gz YOWBCPUSBOPPMF-QHCPKHFHSA-N 1 0 521.731 6.049 1 0 KKAFRO Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCC[NH+](C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676812 562906220 /nfs/dbraw/zinc/90/62/20/562906220.db2.gz FOZPLWJTGDJVGH-IBGZPJMESA-N 1 0 524.698 6.055 1 0 KKAFRO Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(OCC[NH+]3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653686466 562906510 /nfs/dbraw/zinc/90/65/10/562906510.db2.gz VAEZIOUPBWPWKT-UHFFFAOYSA-N 1 0 573.693 6.943 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Br)cc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653700479 562907342 /nfs/dbraw/zinc/90/73/42/562907342.db2.gz IBIOULQJGDPRET-SSEXGKCCSA-N 1 0 635.651 5.611 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C)c(NC(=O)c3ccc(Nc4ncc(C(F)(F)F)c(-c5ccc(OC(F)(F)F)cc5)n4)cc3)c2)CC1 ZINC000653705367 562907716 /nfs/dbraw/zinc/90/77/16/562907716.db2.gz ZZFWDIAABHXSLH-UHFFFAOYSA-N 1 0 658.647 7.503 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000653708698 562907983 /nfs/dbraw/zinc/90/79/83/562907983.db2.gz VDVPXYDBILKOEA-UHFFFAOYSA-N 1 0 561.086 5.304 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccccc3C)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653709026 562908005 /nfs/dbraw/zinc/90/80/05/562908005.db2.gz LOTFHPIYFJFAKX-WJOKGBTCSA-N 1 0 570.782 5.157 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2CCC[C@@H]1C[NH+](C)C ZINC000653709697 562908057 /nfs/dbraw/zinc/90/80/57/562908057.db2.gz LYRIMHXWBNZQGD-WKOFMMCFSA-N 1 0 545.521 6.540 1 0 KKAFRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)c(C(F)(F)F)c3)n2)cc1 ZINC000653710214 562908085 /nfs/dbraw/zinc/90/80/85/562908085.db2.gz QRHVNUCXJWWSKV-UHFFFAOYSA-N 1 0 589.540 7.427 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653710319 562908133 /nfs/dbraw/zinc/90/81/33/562908133.db2.gz VBQBLAJKPJTHLI-SSEXGKCCSA-N 1 0 625.645 6.155 1 0 KKAFRO CCn1ccc2cc(NC(=O)Nc3ccc(S(=O)(=O)N(CC[NH+](C)C)Cc4ccccc4)cc3)ccc21 ZINC000653716013 562908484 /nfs/dbraw/zinc/90/84/84/562908484.db2.gz OSDICVXSLODULB-UHFFFAOYSA-N 1 0 519.671 5.058 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653723263 562908856 /nfs/dbraw/zinc/90/88/56/562908856.db2.gz JNSHVPBNGLECKZ-UHFFFAOYSA-N 1 0 693.175 8.249 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@H](NC(=O)C[NH+](C)C)C2(C)C ZINC000653728699 562909325 /nfs/dbraw/zinc/90/93/25/562909325.db2.gz PAPRNXKXHZHNHV-SANMLTNESA-N 1 0 615.200 5.078 1 0 KKAFRO CCn1cc(Nc2nc(Nc3cc(C)c(C4CC[NH2+]CC4)cc3OC(C)C)ncc2Cl)c(S(=O)(=O)C(C)C)n1 ZINC000653733771 562909591 /nfs/dbraw/zinc/90/95/91/562909591.db2.gz NNNQIXXZLQIIFE-UHFFFAOYSA-N 1 0 576.167 5.578 1 0 KKAFRO COc1cc(/C=C/c2ccc(OCC(=O)NCCCC[N@H+](C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653746627 562910392 /nfs/dbraw/zinc/91/03/92/562910392.db2.gz HPPJRYGTFLJLMM-VAWYXSNFSA-N 1 0 518.654 5.290 1 0 KKAFRO COc1cc(/C=C/c2ccc(OCC(=O)NCCCCCC[N@H+](C)Cc3ccccc3)cc2)cc(OC)c1 ZINC000653746559 562910397 /nfs/dbraw/zinc/91/03/97/562910397.db2.gz CABPKWUALKVCTH-BUHFOSPRSA-N 1 0 516.682 6.062 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4cccc(OC)c4)cc32)c1C ZINC000653760506 562911256 /nfs/dbraw/zinc/91/12/56/562911256.db2.gz GORVIQUYEZXVOA-XHPQRKPJSA-N 1 0 552.679 5.057 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccc(Cl)c(Cl)c4)cc32)c1C ZINC000653762270 562911375 /nfs/dbraw/zinc/91/13/75/562911375.db2.gz WDOHSLRLQWQLHJ-QJOMJCCJSA-N 1 0 591.543 6.355 1 0 KKAFRO CCOC(=O)CCc1ccc(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c3C)C(=O)N4)cs2)cc1 ZINC000653764983 562911592 /nfs/dbraw/zinc/91/15/92/562911592.db2.gz NQPCRSCXFVREFI-RRAHZORUSA-N 1 0 639.822 6.482 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767511 562911669 /nfs/dbraw/zinc/91/16/69/562911669.db2.gz QJENXAOLQDJKKQ-UHFFFAOYSA-N 1 0 529.040 5.959 1 0 KKAFRO O=c1cc(-c2ccccc2OCc2ccccc2)oc2cc(OCCCCCCCC[NH+]3CCCC3)ccc12 ZINC000653779511 562912067 /nfs/dbraw/zinc/91/20/67/562912067.db2.gz IGARDKYDERSJQZ-UHFFFAOYSA-N 1 0 525.689 7.854 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653783757 562912244 /nfs/dbraw/zinc/91/22/44/562912244.db2.gz NBAOYGOFUXATFS-URLMMPGGSA-N 1 0 530.490 5.014 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653793998 562912892 /nfs/dbraw/zinc/91/28/92/562912892.db2.gz ZIDUZDKVGUJJJO-GPOMZPHUSA-N 1 0 527.692 5.822 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccccc1Br ZINC000653794536 562912974 /nfs/dbraw/zinc/91/29/74/562912974.db2.gz UQYFKGXQPXDLQU-LQFQNGICSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1n(Cc2ccc(C)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795190 562913003 /nfs/dbraw/zinc/91/30/03/562913003.db2.gz ZIFSCDFCNGANHT-ZPGRZCPFSA-N 1 0 541.719 6.130 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653816283 562913982 /nfs/dbraw/zinc/91/39/82/562913982.db2.gz BAWZESLJEVSFRN-HNNXBMFYSA-N 1 0 522.440 5.700 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC[N@H+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822639 562914184 /nfs/dbraw/zinc/91/41/84/562914184.db2.gz JQKDGGRZIBHFLB-INIZCTEOSA-N 1 0 536.467 6.090 1 0 KKAFRO COC(=O)c1cc2cc(COc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000653823241 562914273 /nfs/dbraw/zinc/91/42/73/562914273.db2.gz MYHREBUEUYXJGH-RUZDIDTESA-N 1 0 609.649 5.644 1 0 KKAFRO Cc1cc(=O)oc2cc(OCCC[N@@H+](C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)ccc12 ZINC000653837926 562914786 /nfs/dbraw/zinc/91/47/86/562914786.db2.gz RIRAXUJPOGFDFJ-UHFFFAOYSA-N 1 0 542.676 6.504 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCC[NH+]3CCOCC3)c2)c(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000653843507 562915009 /nfs/dbraw/zinc/91/50/09/562915009.db2.gz OLNQUXOBFOZYBN-UHFFFAOYSA-N 1 0 570.000 5.430 1 0 KKAFRO Cc1ccc2nc(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000653845329 562915098 /nfs/dbraw/zinc/91/50/98/562915098.db2.gz KWLJBBUJPGJTAB-UIOOFZCWSA-N 1 0 512.610 5.795 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873412 562916514 /nfs/dbraw/zinc/91/65/14/562916514.db2.gz MWFZYQUTLKJXCL-UHFFFAOYSA-N 1 0 526.471 5.915 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653874482 562916567 /nfs/dbraw/zinc/91/65/67/562916567.db2.gz DFAGDECJKWSWPH-UHFFFAOYSA-N 1 0 610.690 6.489 1 0 KKAFRO COCc1c(C(=O)OCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc2n1Cc1ccc(Cl)cc1 ZINC000653899253 562917420 /nfs/dbraw/zinc/91/74/20/562917420.db2.gz CCJYUOXYGIPTLS-UHFFFAOYSA-N 1 0 598.502 5.751 1 0 KKAFRO CCC(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000653912120 562917716 /nfs/dbraw/zinc/91/77/16/562917716.db2.gz FBYRIQXWPVMVJS-UHFFFAOYSA-N 1 0 563.624 6.061 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(NCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653915653 562917856 /nfs/dbraw/zinc/91/78/56/562917856.db2.gz LFPKQPOSQFLWBN-LJQANCHMSA-N 1 0 565.093 6.151 1 0 KKAFRO COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)C[C@H]3[N@H+](C)CC2 ZINC000060184488 565116654 /nfs/dbraw/zinc/11/66/54/565116654.db2.gz CXLYPEWFHWCEFN-GDLZYMKVSA-N 1 0 606.719 6.462 1 0 biogenic,in-vitro KKAFRO CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)C[C@@H](C[NH2+]CC)[C@H](Cc3cc[nH+]c(N)c3)C2)[C@H](O)C1 ZINC000085492621 565127333 /nfs/dbraw/zinc/12/73/33/565127333.db2.gz HLESDDRITONTHY-RXXNRYKUSA-N 1 0 601.873 5.499 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532248 565137644 /nfs/dbraw/zinc/13/76/44/565137644.db2.gz GZAWLROFZGMZQB-LBJQEORVSA-N 1 0 615.811 6.043 1 0 biogenic,in-vitro KKAFRO COc1cc(CC2([C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(=O)[C@]34CCCC[C@@H]3CC3(CCCC3)C(=O)N4)CC[NH2+]CC2)ccc1O ZINC000085596760 565156022 /nfs/dbraw/zinc/15/60/22/565156022.db2.gz COWMNQULIOBEOW-OTWDJKQVSA-N 1 0 656.861 5.107 1 0 biogenic,in-vitro KKAFRO COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)c(OC)cc6[C@@H](C5)N4C)cc32)cc1 ZINC000095486210 565174062 /nfs/dbraw/zinc/17/40/62/565174062.db2.gz FYMPOGVSVFWCEF-DCMFLLSESA-N 1 0 608.735 6.475 1 0 biogenic,in-vitro KKAFRO CC1(C)O[C@]23C[C@]4([NH3+])[C@H]1[C@@H](CC[C@@H]4CO)[C@@H]2c1ccc2cccc4c2c1[C@@H]1[C@H](CC2(CCCC2)C[C@@H]13)[C@H]4c1ccc(N)nc1 ZINC000085543038 291915159 /nfs/dbraw/zinc/91/51/59/291915159.db2.gz VKAYXMVZORSLRU-DPSSGIQRSA-N 1 0 589.824 7.013 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CC[C@](C)(C3CCCC3)c3ccccc32)c1)CO4 ZINC000085567373 291940458 /nfs/dbraw/zinc/94/04/58/291940458.db2.gz GKRGOGOLRRKDJR-IOVYHGRJSA-N 1 0 806.997 7.760 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(C[NH2+]C4CCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571326 291945588 /nfs/dbraw/zinc/94/55/88/291945588.db2.gz UCOWNBPAJCOKNL-MWXMKSITSA-N 1 0 765.991 9.747 1 0 biogenic,in-vitro KKAFRO C[NH2+]CCNCC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595797 291951852 /nfs/dbraw/zinc/95/18/52/291951852.db2.gz AXNOELZFYCDSCL-HDJQEDSCSA-N 1 0 608.776 5.125 1 0 biogenic,in-vitro KKAFRO COc1cc2c(cc1OCC[NH+](C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000001484771 561675827 /nfs/dbraw/zinc/67/58/27/561675827.db2.gz AXGKNTNGRRGWAT-UHFFFAOYSA-N 1 0 512.610 5.172 1 0 KKAFRO C[NH+](C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000001494478 561676486 /nfs/dbraw/zinc/67/64/86/561676486.db2.gz OFQCVYOFPPDYDD-XIFFEERXSA-N 1 0 554.666 5.055 1 0 KKAFRO Cc1ccc(-c2cncc(-c3cc(NC4CC[NH+](Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1 ZINC000001737785 561679563 /nfs/dbraw/zinc/67/95/63/561679563.db2.gz AXWIBVBDIBJRKO-UHFFFAOYSA-N 1 0 511.673 7.258 1 0 KKAFRO Cc1cc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc(C)c1O ZINC000003815457 561682867 /nfs/dbraw/zinc/68/28/67/561682867.db2.gz HPWKRWZRKNLCQS-UHFFFAOYSA-N 1 0 501.648 6.692 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH+](C)C)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842928 561683988 /nfs/dbraw/zinc/68/39/88/561683988.db2.gz BFCVOTGOHBEFMZ-UHFFFAOYSA-N 1 0 659.231 5.910 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1 ZINC000003916170 561685011 /nfs/dbraw/zinc/68/50/11/561685011.db2.gz DZYPRLBOUVHBFD-YTTGMZPUSA-N 1 0 593.765 5.265 1 0 KKAFRO O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCC[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1 ZINC000003916775 561685168 /nfs/dbraw/zinc/68/51/68/561685168.db2.gz QUYWOUGBIFGWJT-UHFFFAOYSA-N 1 0 668.801 6.961 1 0 KKAFRO COc1cccc(OC)c1C(=O)N1CC[C@@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000003930918 561687532 /nfs/dbraw/zinc/68/75/32/561687532.db2.gz GFELCGJBQGNHBL-JGCGQSQUSA-N 1 0 610.582 5.704 1 0 KKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC000003934165 561688239 /nfs/dbraw/zinc/68/82/39/561688239.db2.gz NJYXPRQYHXQQOR-VWLOTQADSA-N 1 0 540.752 5.897 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000003936184 561688445 /nfs/dbraw/zinc/68/84/45/561688445.db2.gz JGUOUIAGQGEANO-UHFFFAOYSA-N 1 0 548.530 6.069 1 0 KKAFRO CO[C@@H]1O[C@H](COCCCCC[NH3+])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000003936308 561688580 /nfs/dbraw/zinc/68/85/80/561688580.db2.gz AFZZYNSWDWCNIN-IZDBAANZSA-N 1 0 549.708 5.260 1 0 KKAFRO COc1cc2c(cc1OCC[NH2+]CCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003938685 561688890 /nfs/dbraw/zinc/68/88/90/561688890.db2.gz VQCDZFWRGXFUMS-UHFFFAOYSA-N 1 0 501.627 6.038 1 0 in-vivo KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000003950031 561690348 /nfs/dbraw/zinc/69/03/48/561690348.db2.gz KZWXNCYMBCRBBK-CLJLJLNGSA-N 1 0 522.737 7.015 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000003964965 561691468 /nfs/dbraw/zinc/69/14/68/561691468.db2.gz ZAOPBCHLHBOUPR-HHHXNRCGSA-N 1 0 509.691 5.335 1 0 KKAFRO CC(C)Oc1cc(OCCc2ccc(C(N)=[NH2+])cc2)cc(OCc2ccccc2CCc2cccc(O)c2)c1 ZINC000003973193 561691650 /nfs/dbraw/zinc/69/16/50/561691650.db2.gz VTUMKXYASMMBLZ-UHFFFAOYSA-N 1 0 524.661 6.449 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000003975895 561691910 /nfs/dbraw/zinc/69/19/10/561691910.db2.gz RNPJZURAMHJCGB-YTTGMZPUSA-N 1 0 562.758 6.939 1 0 KKAFRO CC1(C)CC(NC(=O)[C@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)CC(C)(C)[NH2+]1 ZINC000003975460 561691975 /nfs/dbraw/zinc/69/19/75/561691975.db2.gz ZUGQHIACLKVMSX-SDQWYYNMSA-N 1 0 698.560 7.434 1 0 KKAFRO CCOc1cc(C)ccc1N(C1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000003979786 561692363 /nfs/dbraw/zinc/69/23/63/561692363.db2.gz OBKOOYNVLKZUBG-UHFFFAOYSA-N 1 0 693.832 7.949 1 0 KKAFRO CSc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000003989406 561693156 /nfs/dbraw/zinc/69/31/56/561693156.db2.gz BCQQWWXAOHPASE-UHFFFAOYSA-N 1 0 530.521 6.378 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc(C)[n+]([O-])c(C)c2)c1 ZINC000003990066 561693377 /nfs/dbraw/zinc/69/33/77/561693377.db2.gz KUJZYYKZQLPZBE-PKWVSMGWSA-N 1 0 606.855 7.316 1 0 KKAFRO COc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)cc1 ZINC000004238023 561694520 /nfs/dbraw/zinc/69/45/20/561694520.db2.gz FDPRIDYESNTXIC-UHFFFAOYSA-N 1 0 514.510 6.251 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000004379803 561694638 /nfs/dbraw/zinc/69/46/38/561694638.db2.gz CERGKSWDFXQEKG-FQLXRVMXSA-N 1 0 656.937 7.655 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425225 561695041 /nfs/dbraw/zinc/69/50/41/561695041.db2.gz ZXHYOTVTZJSURW-JOCHJYFZSA-N 1 0 522.885 6.484 1 0 KKAFRO CC[NH+](CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000006192976 561702699 /nfs/dbraw/zinc/70/26/99/561702699.db2.gz CSLXRCKLEACDMO-UHFFFAOYSA-N 1 0 517.095 5.130 1 0 KKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(-c3ccccc3)cn3ccccc23)cc1 ZINC000006165888 561702739 /nfs/dbraw/zinc/70/27/39/561702739.db2.gz OYXYTBVFIGXVTB-UHFFFAOYSA-N 1 0 518.723 7.110 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000008585220 561705863 /nfs/dbraw/zinc/70/58/63/561705863.db2.gz ZFVHPLAFXZCAIY-QJOHXIFOSA-N 1 0 575.752 8.829 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586129 561706001 /nfs/dbraw/zinc/70/60/01/561706001.db2.gz COBDEDAHCPSQHT-OWGSQAEBSA-N 1 0 573.699 8.561 3 0 KKAFRO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008596893 561706072 /nfs/dbraw/zinc/70/60/72/561706072.db2.gz AZQTUAQFPXWAHT-UHFFFAOYSA-N 1 0 636.237 6.333 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008679921 561706912 /nfs/dbraw/zinc/70/69/12/561706912.db2.gz NVXADGOQGPIPIO-QJOHXIFOSA-N 1 0 643.749 9.848 3 0 aggregator KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000008690091 561707757 /nfs/dbraw/zinc/70/77/57/561707757.db2.gz VOOOYBCZHYEAAU-RKKUSFCFSA-N 1 0 546.036 7.838 3 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000013471218 561713996 /nfs/dbraw/zinc/71/39/96/561713996.db2.gz VFQLHOJNCNGPIK-SANMLTNESA-N 1 0 501.552 6.585 1 0 KKAFRO COc1cc(C[NH2+]Cc2cccc(-n3c4cccc(Cl)c4c4noc(C)c4c3=O)c2)cc(OC)c1OC ZINC000013439809 561712469 /nfs/dbraw/zinc/71/24/69/561712469.db2.gz NUHIHCNVIKXCOA-UHFFFAOYSA-N 1 0 519.985 5.409 1 0 KKAFRO COc1ccc(C[NH2+]CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000013451522 561713309 /nfs/dbraw/zinc/71/33/09/561713309.db2.gz NIOVWDWNPNKWSM-UHFFFAOYSA-N 1 0 522.667 5.471 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479344 561715053 /nfs/dbraw/zinc/71/50/53/561715053.db2.gz APZFEOVXGQEKMJ-VWLOTQADSA-N 1 0 506.737 5.621 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000013487447 561715248 /nfs/dbraw/zinc/71/52/48/561715248.db2.gz YELORNJOYXXAFO-UHFFFAOYSA-N 1 0 525.907 8.206 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489501 561715866 /nfs/dbraw/zinc/71/58/66/561715866.db2.gz WAHSFNMXOHAFIQ-KAYWLYCHSA-N 1 0 507.421 5.060 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489497 561715928 /nfs/dbraw/zinc/71/59/28/561715928.db2.gz UNEVEWKTGHFQJP-NDEPHWFRSA-N 1 0 517.416 5.352 1 0 KKAFRO CC(c1ccc([S@](=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000013492459 561716306 /nfs/dbraw/zinc/71/63/06/561716306.db2.gz BERXHPPZKOVMEH-LHEWISCISA-N 1 0 532.725 6.669 1 0 KKAFRO O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000013529167 561717502 /nfs/dbraw/zinc/71/75/02/561717502.db2.gz NVSXFDQTCYVKHH-NDEPHWFRSA-N 1 0 509.646 5.379 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534572 561717885 /nfs/dbraw/zinc/71/78/85/561717885.db2.gz KBIKENJDJYPBNS-XMMPIXPASA-N 1 0 511.493 6.223 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000013538866 561718189 /nfs/dbraw/zinc/71/81/89/561718189.db2.gz VPELAYYSGMYZKW-UHFFFAOYSA-N 1 0 525.697 6.540 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558944 561719495 /nfs/dbraw/zinc/71/94/95/561719495.db2.gz ROZKUPMORBJMBK-AREMUKBSSA-N 1 0 530.665 5.215 1 0 KKAFRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000013587469 561720728 /nfs/dbraw/zinc/72/07/28/561720728.db2.gz ZOPTUHMWTVWMAV-SANMLTNESA-N 1 0 521.686 6.679 1 0 KKAFRO O=C1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588391 561721022 /nfs/dbraw/zinc/72/10/22/561721022.db2.gz BTJBRCCYGKTBJW-PMERELPUSA-N 1 0 515.697 7.947 1 0 KKAFRO O=C(Nc1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613294 561721974 /nfs/dbraw/zinc/72/19/74/561721974.db2.gz XOLRUKHPGCIPJW-STWLZBDKSA-N 1 0 502.472 6.223 1 0 KKAFRO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643423 561722262 /nfs/dbraw/zinc/72/22/62/561722262.db2.gz DFOLWHGZUDJOTI-UHFFFAOYSA-N 1 0 528.480 5.661 1 0 KKAFRO CC[NH+](CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3c(Cl)cccc3Cl)cc2cn1 ZINC000013647864 561722679 /nfs/dbraw/zinc/72/26/79/561722679.db2.gz WLFMHNCEKPWCEA-UHFFFAOYSA-N 1 0 531.532 7.058 1 0 KKAFRO C/C=C/CNc1nc(NC/C=C/C)nc(N2CCC([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000013650728 561722979 /nfs/dbraw/zinc/72/29/79/561722979.db2.gz QSVSOBIAHURXIU-GGWOSOGESA-N 1 0 519.644 5.474 1 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661215 561723517 /nfs/dbraw/zinc/72/35/17/561723517.db2.gz PPVOUBBMDYNPMN-HXUWFJFHSA-N 1 0 511.615 5.152 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000013661182 561723521 /nfs/dbraw/zinc/72/35/21/561723521.db2.gz QVXVWLQXQKIEKW-QHCPKHFHSA-N 1 0 521.654 6.280 3 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000013661042 561723524 /nfs/dbraw/zinc/72/35/24/561723524.db2.gz DLUMNNFOTOWHGY-JOCHJYFZSA-N 1 0 515.606 6.070 3 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCC[NH+](C)C)cc2)[C@H]1O ZINC000013673067 561723742 /nfs/dbraw/zinc/72/37/42/561723742.db2.gz XBJAKPVORFQRHN-FQLXRVMXSA-N 1 0 530.775 5.340 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(C[n+]3ccccc3)cc2)[C@H]1O ZINC000013673044 561723799 /nfs/dbraw/zinc/72/37/99/561723799.db2.gz JYJACORPRKGXCG-FIRIVFDPSA-N 1 0 535.774 5.735 1 0 KKAFRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674189 561723861 /nfs/dbraw/zinc/72/38/61/561723861.db2.gz YQBRYEMSCWENAH-GOSISDBHSA-N 1 0 508.403 6.114 1 0 KKAFRO Fc1ccc(C(OCC[NH2+]C[C@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780743 561729195 /nfs/dbraw/zinc/72/91/95/561729195.db2.gz YOXNDJORNITOMF-NDEPHWFRSA-N 1 0 500.589 6.128 1 0 KKAFRO CC(C)(C)c1cc([C@H]2SCC(=O)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000013781693 561729424 /nfs/dbraw/zinc/72/94/24/561729424.db2.gz JVOUSBDNKSHHNC-SSEXGKCCSA-N 1 0 522.799 6.906 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781695 561729444 /nfs/dbraw/zinc/72/94/44/561729444.db2.gz OIQRRPTWMZBNMA-DFHRPNOPSA-N 1 0 528.759 5.323 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781682 561729447 /nfs/dbraw/zinc/72/94/47/561729447.db2.gz TUGILCFBIODMPH-HHHXNRCGSA-N 1 0 512.716 5.812 1 0 KKAFRO O=C(CN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 ZINC000013806867 561731511 /nfs/dbraw/zinc/73/15/11/561731511.db2.gz XDBSOVFDSPYHQJ-AREMUKBSSA-N 1 0 514.069 5.221 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820073 561732614 /nfs/dbraw/zinc/73/26/14/561732614.db2.gz VGIDTBHBYLABTQ-FFCVWOAGSA-N 1 0 531.688 6.377 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000013829722 561733242 /nfs/dbraw/zinc/73/32/42/561733242.db2.gz DFOQIPDEMBIDFU-QFIPXVFZSA-N 1 0 507.627 5.889 1 0 KKAFRO CCn1cc(C[NH+](C)C)c2cccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)cc3Cl)c21 ZINC000013862557 561734766 /nfs/dbraw/zinc/73/47/66/561734766.db2.gz DOTRUZSRWNXWJD-ZRDIBKRKSA-N 1 0 525.118 5.231 1 0 KKAFRO CC[NH+](CC)CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000013862911 561734872 /nfs/dbraw/zinc/73/48/72/561734872.db2.gz BWRWVDQRWYBUIX-UHFFFAOYSA-N 1 0 504.466 5.672 1 0 KKAFRO NC(=O)C[NH2+][C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013900850 561735592 /nfs/dbraw/zinc/73/55/92/561735592.db2.gz MWKJCJFYJWIFLL-QFIPXVFZSA-N 1 0 510.478 5.516 1 0 KKAFRO C[NH+](C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000014128276 561736960 /nfs/dbraw/zinc/73/69/60/561736960.db2.gz OHDQHRAKDCCIMS-FQEVSTJZSA-N 1 0 568.438 5.765 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1 ZINC000014175425 561737320 /nfs/dbraw/zinc/73/73/20/561737320.db2.gz DZYPRLBOUVHBFD-JGCGQSQUSA-N 1 0 593.765 5.265 1 0 KKAFRO COC[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013777699 561728641 /nfs/dbraw/zinc/72/86/41/561728641.db2.gz ZWTFULMWPLLWNJ-GSZKURGRSA-N 1 0 503.646 5.955 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2c(Br)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949884 561745274 /nfs/dbraw/zinc/74/52/74/561745274.db2.gz SCWJRGNXCKCMBG-UHFFFAOYSA-N 1 0 561.933 6.425 1 0 KKAFRO COc1ccc(-n2nc(Cn3ccnc3)c3nc(C)n(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4)c(=O)c32)cc1 ZINC000014950545 561745576 /nfs/dbraw/zinc/74/55/76/561745576.db2.gz VPVYKOHZRXOPHE-UHFFFAOYSA-N 1 0 571.685 5.396 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000014950419 561745603 /nfs/dbraw/zinc/74/56/03/561745603.db2.gz LDUWBIVGHVTDNA-UHFFFAOYSA-N 1 0 538.505 5.735 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH3+])cc3F)cc12 ZINC000014951108 561745851 /nfs/dbraw/zinc/74/58/51/561745851.db2.gz NWOIJOGPQKSUCO-UHFFFAOYSA-N 1 0 510.451 5.132 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(N)c(-c5ccc(-c6ccccc6C[NH+]6CCC(O)CC6)cc5)c(=O)c43)cc12 ZINC000014951313 561745983 /nfs/dbraw/zinc/74/59/83/561745983.db2.gz JKTNGLROJHNUKW-UHFFFAOYSA-N 1 0 615.616 5.329 1 0 KKAFRO CC(=O)Oc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Br ZINC000014953546 561746661 /nfs/dbraw/zinc/74/66/61/561746661.db2.gz AFXSBHYPZXEQNT-UHFFFAOYSA-N 1 0 621.359 6.344 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957942 561748050 /nfs/dbraw/zinc/74/80/50/561748050.db2.gz BYLSJFOFBQNZSU-UHFFFAOYSA-N 1 0 579.668 5.624 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc5c[nH]nc5cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957955 561748070 /nfs/dbraw/zinc/74/80/70/561748070.db2.gz UEJWBQCBMLOKJQ-UHFFFAOYSA-N 1 0 551.654 6.320 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1 ZINC000014959782 561748205 /nfs/dbraw/zinc/74/82/05/561748205.db2.gz GREPHJSRGKVNIG-UHFFFAOYSA-N 1 0 500.093 5.526 1 0 KKAFRO O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2oc1=O ZINC000014962097 561748732 /nfs/dbraw/zinc/74/87/32/561748732.db2.gz FVSBUQCOCOEDJM-UHFFFAOYSA-N 1 0 515.613 6.035 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc[nH+]c2N)c1Cl ZINC000014963206 561748959 /nfs/dbraw/zinc/74/89/59/561748959.db2.gz JBLTXNAFEYSKQX-UHFFFAOYSA-N 1 0 551.843 5.444 1 0 KKAFRO CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CC[NH2+]CC5)c4)nc3c2)ccn1 ZINC000014965307 561749392 /nfs/dbraw/zinc/74/93/92/561749392.db2.gz BTZADJMCMGCPTD-UHFFFAOYSA-N 1 0 507.978 5.150 1 0 KKAFRO CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1 ZINC000014965294 561749562 /nfs/dbraw/zinc/74/95/62/561749562.db2.gz KMNCFOUKJYOZIF-KRWDZBQOSA-N 1 0 507.978 5.245 1 0 in-vitro KKAFRO c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCCC4)cc3)oc3nccc(NCCc4ccncc4)c32)cc1 ZINC000014965389 561749669 /nfs/dbraw/zinc/74/96/69/561749669.db2.gz RSRIBZZUPWIEDF-UHFFFAOYSA-N 1 0 518.661 7.076 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000014970437 561750960 /nfs/dbraw/zinc/75/09/60/561750960.db2.gz DSKXYHYADVMGDR-AJQTZOPKSA-N 1 0 587.728 5.235 1 0 KKAFRO CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527407 561755287 /nfs/dbraw/zinc/75/52/87/561755287.db2.gz VTQGVLJZPVITEX-SJHOIFEDSA-N 1 0 579.697 5.069 3 0 KKAFRO O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527401 561755345 /nfs/dbraw/zinc/75/53/45/561755345.db2.gz VXJGPQPIHWCJNM-OFSOJUDTSA-N 1 0 577.519 5.217 3 0 KKAFRO COc1ccc([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000017545691 561755871 /nfs/dbraw/zinc/75/58/71/561755871.db2.gz IFPCQGFXMAXFBA-PMERELPUSA-N 1 0 590.720 6.830 3 0 KKAFRO COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545737 561756027 /nfs/dbraw/zinc/75/60/27/561756027.db2.gz MJKLWLKIFXZGHF-UIUQJESISA-N 1 0 632.798 6.491 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545764 561756045 /nfs/dbraw/zinc/75/60/45/561756045.db2.gz XKIPIKHAXOFXLT-DEOSSOPVSA-N 1 0 574.674 5.180 3 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(C)c12 ZINC000017545830 561756168 /nfs/dbraw/zinc/75/61/68/561756168.db2.gz RUGOEWKUIVRDKO-XMMPIXPASA-N 1 0 542.632 5.192 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[N@@H+]4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655015 561757785 /nfs/dbraw/zinc/75/77/85/561757785.db2.gz KYLMCYPJCZDSJX-XCRWMPKNSA-N 1 0 619.755 6.433 1 0 KKAFRO Cn1c2cc(Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000021289535 561758880 /nfs/dbraw/zinc/75/88/80/561758880.db2.gz OJWPICIEUSPJKT-UHFFFAOYSA-N 1 0 538.479 5.277 1 0 KKAFRO C[NH+]1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000022449354 561759188 /nfs/dbraw/zinc/75/91/88/561759188.db2.gz IAGMQISKNISZPR-UHFFFAOYSA-N 1 0 579.770 5.772 1 0 KKAFRO CC(=O)O[C@@H](CNc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924749 561759525 /nfs/dbraw/zinc/75/95/25/561759525.db2.gz XSOJJKZGFTXNMQ-PMERELPUSA-N 1 0 521.652 5.538 1 0 KKAFRO COc1cccc([C@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925563 561759681 /nfs/dbraw/zinc/75/96/81/561759681.db2.gz ZVXTZYNQLSAYCQ-BKUMGXLKSA-N 1 0 521.499 5.895 1 0 KKAFRO COc1ccc(OC)c(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022925554 561759736 /nfs/dbraw/zinc/75/97/36/561759736.db2.gz HXGQGTYVLCWKMP-ONEGZZNKSA-N 1 0 508.609 5.419 1 0 KKAFRO FC(F)(F)c1cc(COC[C@H](c2ccc(Cl)c(Cl)c2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926894 561759745 /nfs/dbraw/zinc/75/97/45/561759745.db2.gz WBWPKPCFEIYLFZ-LJQANCHMSA-N 1 0 501.298 6.194 1 0 KKAFRO C[NH+](C)CCN1CCN(c2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359218 561761961 /nfs/dbraw/zinc/76/19/61/561761961.db2.gz WZAKHOAIQXFVJG-UHFFFAOYSA-N 1 0 560.917 5.149 1 0 KKAFRO CC(C)(C(=O)[O-])[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000025422030 561762705 /nfs/dbraw/zinc/76/27/05/561762705.db2.gz TXEFMFGXKKPZEW-UHFFFAOYSA-N 1 0 590.164 6.110 1 0 KKAFRO CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000025422036 561762737 /nfs/dbraw/zinc/76/27/37/561762737.db2.gz YGYLUOKAHBFLCH-UHFFFAOYSA-N 1 0 576.137 5.721 1 0 KKAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCC[NH3+])c2)cc1 ZINC000025962878 561762870 /nfs/dbraw/zinc/76/28/70/561762870.db2.gz YNCAROCYIGDSNF-UMSFTDKQSA-N 1 0 588.837 5.717 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000025964552 561762991 /nfs/dbraw/zinc/76/29/91/561762991.db2.gz IUCVMFQGKCHLPG-SNBXREPGSA-N 1 0 586.754 6.609 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCC[NH+](C)C)cc1)c1ccccc1 ZINC000025965424 561763136 /nfs/dbraw/zinc/76/31/36/561763136.db2.gz XKHNGFDZRPJTCY-MVJHLKBCSA-N 1 0 581.582 8.941 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025965335 561763142 /nfs/dbraw/zinc/76/31/42/561763142.db2.gz XCOUYJYBUSTRSB-KARKAFJISA-N 1 0 593.593 9.085 1 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(Br)cccc2C1 ZINC000026153640 561767922 /nfs/dbraw/zinc/76/79/22/561767922.db2.gz HBJXUXOERUVVGH-HHHXNRCGSA-N 1 0 519.527 6.896 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CO)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008738 561765713 /nfs/dbraw/zinc/76/57/13/561765713.db2.gz JRZAVNKHAFQMNW-UHFFFAOYSA-N 1 0 656.746 6.223 1 0 KKAFRO C[N@H+](CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000026018275 561766519 /nfs/dbraw/zinc/76/65/19/561766519.db2.gz JDCWWINOFGMBJY-UHFFFAOYSA-N 1 0 620.770 5.912 1 0 KKAFRO Clc1ccc2nc(NCCCN3CC[NH+](CCCNc4nc5ccc(Cl)cc5n5cccc45)CC3)c3cccn3c2c1 ZINC000026144721 561767074 /nfs/dbraw/zinc/76/70/74/561767074.db2.gz CKUOLWWDHLNWEF-UHFFFAOYSA-N 1 0 601.586 6.517 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160961 561768569 /nfs/dbraw/zinc/76/85/69/561768569.db2.gz XOLUMIJQZDSNAE-QPPBQGQZSA-N 1 0 504.652 5.097 1 0 KKAFRO COc1c(-c2nc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)co2)cc(Br)c2ccccc21 ZINC000026172244 561770166 /nfs/dbraw/zinc/77/01/66/561770166.db2.gz DRRIHRQXXFYPBU-FQEVSTJZSA-N 1 0 506.444 5.878 1 0 KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026183904 561772298 /nfs/dbraw/zinc/77/22/98/561772298.db2.gz RJSLEEVKHLKNSO-UHFFFAOYSA-N 1 0 667.295 5.278 1 0 KKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2c[nH]c3ccccc23)cc1 ZINC000026188377 561773069 /nfs/dbraw/zinc/77/30/69/561773069.db2.gz YFPRKFGAQHXTFR-QRRGNZNSSA-N 1 0 517.717 7.321 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294948 561781267 /nfs/dbraw/zinc/78/12/67/561781267.db2.gz BCMOURGLNMDTBL-JWQCQUIFSA-N 1 0 565.545 6.610 1 0 KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026262046 561775629 /nfs/dbraw/zinc/77/56/29/561775629.db2.gz PBDSLBBYXQQLNV-UHFFFAOYSA-N 1 0 671.714 5.923 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@H]3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277364 561778491 /nfs/dbraw/zinc/77/84/91/561778491.db2.gz WKBKYOBZIJPMBM-PMERELPUSA-N 1 0 600.691 5.521 1 0 KKAFRO CC[C@@](CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283536 561779449 /nfs/dbraw/zinc/77/94/49/561779449.db2.gz FUXGUCORRPMWFN-UMSFTDKQSA-N 1 0 563.804 8.046 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287227 561779932 /nfs/dbraw/zinc/77/99/32/561779932.db2.gz VDGIWFABCWUAFZ-BJKOFHAPSA-N 1 0 551.518 6.219 1 0 KKAFRO COc1ccc2c(c1)nc(NCCC[NH+](C)CCCNc1nc3cc(OC)ccc3n3cccc13)c1cccn12 ZINC000026156614 561768272 /nfs/dbraw/zinc/76/82/72/561768272.db2.gz AIQIJIFXYDWHHQ-UHFFFAOYSA-N 1 0 537.668 5.542 1 0 KKAFRO O=C(N[C@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1cnc2ccccc2c1)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376298 561782005 /nfs/dbraw/zinc/78/20/05/561782005.db2.gz ILDSYMCEVCIDJB-LJAQVGFWSA-N 1 0 544.099 5.611 1 0 KKAFRO O=C(N[C@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1cccc2ccccc21)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376788 561782270 /nfs/dbraw/zinc/78/22/70/561782270.db2.gz QFGJBBJWKHXYRN-PMERELPUSA-N 1 0 543.111 6.216 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026498532 561794792 /nfs/dbraw/zinc/79/47/92/561794792.db2.gz IVFIQYQKZVVEMA-RUZDIDTESA-N 1 0 515.094 6.153 1 0 KKAFRO COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)C3 ZINC000026403363 561789053 /nfs/dbraw/zinc/78/90/53/561789053.db2.gz DICOBUHJULWHPR-VWLOTQADSA-N 1 0 526.681 5.624 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026477799 561791367 /nfs/dbraw/zinc/79/13/67/561791367.db2.gz SMZQSHCOJPJYFJ-CLOMRRMMSA-N 1 0 648.656 5.281 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026481127 561791795 /nfs/dbraw/zinc/79/17/95/561791795.db2.gz GGGPQJWPMTWRQL-CLOMRRMMSA-N 1 0 648.656 5.281 1 0 KKAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(c3ccccc3)CC2)cc(OC)c1 ZINC000026499991 561795238 /nfs/dbraw/zinc/79/52/38/561795238.db2.gz SRBXSDDOUTUUBD-UHFFFAOYSA-N 1 0 537.100 6.751 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC1)c1ccccc1C(=O)N2C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026500184 561795242 /nfs/dbraw/zinc/79/52/42/561795242.db2.gz WFIFDHURFZVODR-XMMPIXPASA-N 1 0 552.140 5.211 1 0 KKAFRO CCCN(C(=O)CCc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500162 561795244 /nfs/dbraw/zinc/79/52/44/561795244.db2.gz YGMVKHHAYZQLBJ-HKBQPEDESA-N 1 0 575.819 5.817 1 0 KKAFRO CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026487883 561792741 /nfs/dbraw/zinc/79/27/41/561792741.db2.gz KIFOBRKKDFKEIA-GDLZYMKVSA-N 1 0 655.261 5.747 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCc2ccccn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026492241 561793540 /nfs/dbraw/zinc/79/35/40/561793540.db2.gz QMDYJQBTCSAHBJ-XIFFEERXSA-N 1 0 590.857 6.538 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492798 561793678 /nfs/dbraw/zinc/79/36/78/561793678.db2.gz CGQKCZPIKDKOIQ-XHEDYINBSA-N 1 0 649.549 5.569 1 0 KKAFRO CCCN(C(=O)OCc1ccc(C)cc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495284 561794208 /nfs/dbraw/zinc/79/42/08/561794208.db2.gz MBAQWZPBZUGQNO-WJOKGBTCSA-N 1 0 591.818 6.303 1 0 KKAFRO CCCN(C(=O)NCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496030 561794349 /nfs/dbraw/zinc/79/43/49/561794349.db2.gz XRRKFLBCLJVILR-SSEXGKCCSA-N 1 0 576.807 5.567 1 0 KKAFRO CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296731 561781623 /nfs/dbraw/zinc/78/16/23/561781623.db2.gz DCJXJZRHLYXSCU-AXLBLIHRSA-N 1 0 654.896 5.478 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026501418 561795608 /nfs/dbraw/zinc/79/56/08/561795608.db2.gz NMYAJBAKQIGAGY-XMMPIXPASA-N 1 0 552.140 5.510 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026566591 561797103 /nfs/dbraw/zinc/79/71/03/561797103.db2.gz HYKVHMXJPZXOSZ-JGCGQSQUSA-N 1 0 641.596 5.107 1 0 KKAFRO Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)c(C)c1C ZINC000026576798 561800670 /nfs/dbraw/zinc/80/06/70/561800670.db2.gz WUSCFVWMOICBNY-UHFFFAOYSA-N 1 0 572.219 5.219 1 0 KKAFRO CC[NH2+]CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576869 561800752 /nfs/dbraw/zinc/80/07/52/561800752.db2.gz SFJDZTQKYPJBKY-UHFFFAOYSA-N 1 0 692.783 6.323 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@H]5CC[C@@H]4C5)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026577271 561801213 /nfs/dbraw/zinc/80/12/13/561801213.db2.gz ISCMQUQGLIDHBV-LFWISAHLSA-N 1 0 576.829 7.851 1 0 KKAFRO CN(C)c1ccc(-c2nc(-c3ccc(C=CC[NH+]4CCCCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577514 561801662 /nfs/dbraw/zinc/80/16/62/561801662.db2.gz JDHQPKFRVHUGCX-CMDGGOBGSA-N 1 0 505.710 7.042 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000026578541 561803508 /nfs/dbraw/zinc/80/35/08/561803508.db2.gz MRNGFCCVLNCTQA-KWAZPYRMSA-N 1 0 641.686 7.096 1 0 KKAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026579351 561804488 /nfs/dbraw/zinc/80/44/88/561804488.db2.gz UAGQBZXOHKNJRH-UHFFFAOYSA-N 1 0 617.212 5.168 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 ZINC000026579421 561804666 /nfs/dbraw/zinc/80/46/66/561804666.db2.gz CSYLEHSOUHZAFC-CCPAGJRDSA-N 1 0 571.570 6.753 1 0 KKAFRO O=[S@]1CC2(CC[NH+](CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026579497 561804790 /nfs/dbraw/zinc/80/47/90/561804790.db2.gz CBMMNOSYXCNURZ-CGDLVVIGSA-N 1 0 528.545 6.839 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000026640041 561806480 /nfs/dbraw/zinc/80/64/80/561806480.db2.gz WJRKWJSQVYFSFK-XSHDXORVSA-N 1 0 607.751 6.252 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642865 561806995 /nfs/dbraw/zinc/80/69/95/561806995.db2.gz SZESKYUCLVPQFH-TXQSWDKBSA-N 1 0 591.626 5.943 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026653144 561808782 /nfs/dbraw/zinc/80/87/82/561808782.db2.gz WIBBPDXGCMFKBV-XMMPIXPASA-N 1 0 531.549 6.667 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2ccccc21 ZINC000026670497 561812195 /nfs/dbraw/zinc/81/21/95/561812195.db2.gz OOXDXFUQQOUCNQ-CBWMPJGPSA-N 1 0 625.637 8.149 1 0 KKAFRO CC(C)([NH3+])CCCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026827245 561822279 /nfs/dbraw/zinc/82/22/79/561822279.db2.gz RFPOEVHGNUPAGK-HHHXNRCGSA-N 1 0 526.710 5.632 1 0 KKAFRO Cc1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026674110 561813309 /nfs/dbraw/zinc/81/33/09/561813309.db2.gz NUUXFRVGZFYRQH-WXKBGNPMSA-N 1 0 621.674 8.318 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCOc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674345 561813503 /nfs/dbraw/zinc/81/35/03/561813503.db2.gz ZKIRNRZUIHQPCN-VQJSHJPSSA-N 1 0 706.840 6.503 1 0 KKAFRO CC1CC[NH+](CCCCCCCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026716691 561814246 /nfs/dbraw/zinc/81/42/46/561814246.db2.gz HFTWDZZJDOKKHB-UHFFFAOYSA-N 1 0 523.121 7.135 1 0 KKAFRO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745598 561818749 /nfs/dbraw/zinc/81/87/49/561818749.db2.gz ZVWDWHLXLHRYDF-WDYNHAJCSA-O 1 0 585.688 5.255 1 0 KKAFRO C[C@H]([NH2+]CCc1ccccc1-n1ccnc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817021 561820378 /nfs/dbraw/zinc/82/03/78/561820378.db2.gz CWQFUYIPHGCENY-FCVSRBRRSA-N 1 0 517.802 7.049 1 0 KKAFRO O=S(=O)(c1cccs1)N1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026837002 561824632 /nfs/dbraw/zinc/82/46/32/561824632.db2.gz XFUFLHWCWMCAGA-WUFINQPMSA-N 1 0 508.753 5.887 1 0 KKAFRO C[N@H+](CCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840605 561825682 /nfs/dbraw/zinc/82/56/82/561825682.db2.gz DNGKALAOBQCDPL-LJAQVGFWSA-N 1 0 556.769 6.081 1 0 KKAFRO C[N@H+](CCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840600 561825726 /nfs/dbraw/zinc/82/57/26/561825726.db2.gz DNGKALAOBQCDPL-GDLZYMKVSA-N 1 0 556.769 6.081 1 0 KKAFRO COc1cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843821 561826286 /nfs/dbraw/zinc/82/62/86/561826286.db2.gz RMHALYQZHFLFFL-LJAQVGFWSA-N 1 0 655.623 5.299 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026848348 561826905 /nfs/dbraw/zinc/82/69/05/561826905.db2.gz CWHDMLNZVZVXIE-MHZLTWQESA-N 1 0 526.768 5.392 1 0 KKAFRO O=C(CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C(C[C@H]1CCCC[NH2+]1)(C1CCCCC1)C1CCCCC1 ZINC000026850412 561827177 /nfs/dbraw/zinc/82/71/77/561827177.db2.gz ZMJYFVOJSCCNSX-HHHXNRCGSA-N 1 0 548.772 6.218 1 0 KKAFRO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943009 561828160 /nfs/dbraw/zinc/82/81/60/561828160.db2.gz MOQHJLOTQRZQSC-VENZBCCWSA-N 1 0 752.400 5.937 1 0 KKAFRO CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000026960295 561829546 /nfs/dbraw/zinc/82/95/46/561829546.db2.gz SUEFKCGTIDVUOI-AREMUKBSSA-N 1 0 573.612 6.046 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026964367 561829801 /nfs/dbraw/zinc/82/98/01/561829801.db2.gz OTTAZZYTYCBVQV-IUKMQXEJSA-N 1 0 593.643 6.943 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000026968701 561830234 /nfs/dbraw/zinc/83/02/34/561830234.db2.gz PKVDFWRNVZYXLU-INCHCDLYSA-N 1 0 547.599 6.025 1 0 KKAFRO CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026985977 561831891 /nfs/dbraw/zinc/83/18/91/561831891.db2.gz FVYCHGZRYVAZJF-MOBKVPTQSA-N 1 0 535.588 5.883 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccnc(CO)c2)c1 ZINC000026990981 561832486 /nfs/dbraw/zinc/83/24/86/561832486.db2.gz XVPDAZBIIIETTF-IGBPDSSZSA-N 1 0 592.828 6.953 1 0 KKAFRO COc1ccc(S(=O)(=O)n2c(C[NH2+][C@H](C)c3cccc4ccccc43)cc3ccccc32)cc1OC ZINC000026992110 561832623 /nfs/dbraw/zinc/83/26/23/561832623.db2.gz ZIGXCTDJGNJPEL-HXUWFJFHSA-N 1 0 500.620 5.900 1 0 KKAFRO C[C@@H](c1ccc(I)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026995712 561833287 /nfs/dbraw/zinc/83/32/87/561833287.db2.gz QCDDKNCWCRNPEP-OALUTQOASA-N 1 0 580.942 5.289 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc[n+]([O-])cc2C)c1 ZINC000026996365 561833294 /nfs/dbraw/zinc/83/32/94/561833294.db2.gz GCKSBSFXCIFECX-IGBPDSSZSA-N 1 0 592.828 7.008 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@](C)(C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107748 561840575 /nfs/dbraw/zinc/84/05/75/561840575.db2.gz AYVFJDPITYUMTH-XQJOSWFISA-N 1 0 576.803 6.710 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCCCc1ccccc1 ZINC000027209487 561846842 /nfs/dbraw/zinc/84/68/42/561846842.db2.gz RBCQCVSMIQCOMN-JVVMDBNWSA-N 1 0 533.659 6.878 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000027214042 561847788 /nfs/dbraw/zinc/84/77/88/561847788.db2.gz XRLXHADLAXWZDU-WOZUAGRISA-N 1 0 617.265 5.026 1 0 KKAFRO COc1ccc(NC(=O)NCC(CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)cc1 ZINC000027214332 561847896 /nfs/dbraw/zinc/84/78/96/561847896.db2.gz NTCHDYONCQSCJY-UHFFFAOYSA-N 1 0 598.187 7.220 1 0 KKAFRO CC[NH+](CC)CCO/N=C1\C=C[C@@]2(C)[C@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]32)C1(C)C ZINC000027410516 561856326 /nfs/dbraw/zinc/85/63/26/561856326.db2.gz KPLRMIZYYDOWGI-CCPQXYFISA-N 1 0 550.784 7.384 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2C(C)(C)/C(=N/OCC[NH+]3CCCC3)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412533 561856532 /nfs/dbraw/zinc/85/65/32/561856532.db2.gz ATEHWGPRICGPOU-SFTVQOBMSA-N 1 0 548.768 7.138 1 0 KKAFRO CCCN(c1ccccn1)C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859859 /nfs/dbraw/zinc/85/98/59/561859859.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 1 0 518.746 5.512 1 0 KKAFRO CN(C[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027436979 561860222 /nfs/dbraw/zinc/86/02/22/561860222.db2.gz IXFOAHRLJSIABO-SANMLTNESA-N 1 0 555.607 6.417 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027440537 561860715 /nfs/dbraw/zinc/86/07/15/561860715.db2.gz UCRUJXVEFBEWBN-UEFPSYNTSA-N 1 0 589.161 5.486 1 0 KKAFRO COc1ccccc1[C@@H]([C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517325 561861058 /nfs/dbraw/zinc/86/10/58/561861058.db2.gz OIPUCUYEXWXJEQ-PXJZQJOASA-N 1 0 611.671 7.419 1 0 KKAFRO COc1cccc([C@@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000027517273 561861108 /nfs/dbraw/zinc/86/11/08/561861108.db2.gz LLCSACQWSCTAJV-AREMUKBSSA-N 1 0 571.606 6.083 1 0 KKAFRO COc1ccc([C@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c(OC)c1OC ZINC000027517362 561861211 /nfs/dbraw/zinc/86/12/11/561861211.db2.gz NTIPCTPRHXCHTR-SANMLTNESA-N 1 0 645.685 6.443 1 0 KKAFRO CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+](COC(=O)C(C)(C)C)c2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000027517706 561861464 /nfs/dbraw/zinc/86/14/64/561861464.db2.gz VEOQDOUHXSFZAK-JGCGQSQUSA-N 1 0 625.746 6.638 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(C[C@@H](C)CNC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027518147 561861951 /nfs/dbraw/zinc/86/19/51/561861951.db2.gz WXHQKCAVQNGVSD-UVQZXEQTSA-N 1 0 603.188 5.734 1 0 KKAFRO COc1cccc([C@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000027518302 561862193 /nfs/dbraw/zinc/86/21/93/561862193.db2.gz SBRDTMDWMOJLCU-VWLOTQADSA-N 1 0 601.632 6.092 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](C(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518387 561862239 /nfs/dbraw/zinc/86/22/39/561862239.db2.gz UDONPFJJAMEMDG-HKBQPEDESA-N 1 0 631.705 7.534 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ncccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027519046 561862901 /nfs/dbraw/zinc/86/29/01/561862901.db2.gz KTRBCNGXJBQPOU-HXUWFJFHSA-N 1 0 532.044 5.419 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000027519428 561863012 /nfs/dbraw/zinc/86/30/12/561863012.db2.gz FLCFXXDYBIGOAA-KJPHNCEZSA-N 1 0 545.683 6.044 1 0 KKAFRO CCOc1ccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000027520181 561863359 /nfs/dbraw/zinc/86/33/59/561863359.db2.gz VMQAFJPSEXTGNA-LTNZPFSPSA-N 1 0 561.682 5.880 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4nncs4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027520657 561863634 /nfs/dbraw/zinc/86/36/34/561863634.db2.gz QLYDPADLSBXEQL-GOSISDBHSA-N 1 0 538.073 5.480 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)NCc4ccc5c(c4)OCO5)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027520617 561863649 /nfs/dbraw/zinc/86/36/49/561863649.db2.gz LMRIBXOMAVQMDQ-HSZRJFAPSA-N 1 0 588.104 6.035 1 0 KKAFRO CC(C)[NH+]1CCC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1 ZINC000027525216 561866053 /nfs/dbraw/zinc/86/60/53/561866053.db2.gz JEBBTQWFFYQVCM-UHFFFAOYSA-N 1 0 541.910 7.298 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000027547946 561867318 /nfs/dbraw/zinc/86/73/18/561867318.db2.gz JCYZHZLOVJMVOX-UHFFFAOYSA-N 1 0 541.477 6.830 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000027549097 561867624 /nfs/dbraw/zinc/86/76/24/561867624.db2.gz YFYHVDDGBCBNTC-UHFFFAOYSA-N 1 0 509.138 6.555 1 0 KKAFRO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000027552980 561868499 /nfs/dbraw/zinc/86/84/99/561868499.db2.gz ZFGRMWBYHAUOCE-JGCGQSQUSA-N 1 0 557.760 7.018 1 0 KKAFRO CCCNC(=O)Oc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000027561347 561870720 /nfs/dbraw/zinc/87/07/20/561870720.db2.gz MFWLHYDVSXBTIV-UHFFFAOYSA-N 1 0 513.682 6.811 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3Sc3ccccc3)cc1)CC2 ZINC000027656859 561877811 /nfs/dbraw/zinc/87/78/11/561877811.db2.gz JXEHHPLONHIVET-UHFFFAOYSA-N 1 0 524.686 6.708 1 0 KKAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(C4CCCCCC4)n3)c(F)c2)CC1 ZINC000027732983 561881448 /nfs/dbraw/zinc/88/14/48/561881448.db2.gz DGZDBBMLJBXTPJ-JOCHJYFZSA-N 1 0 581.689 5.028 1 0 KKAFRO C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734984 561881783 /nfs/dbraw/zinc/88/17/83/561881783.db2.gz CZWOPRGALMNIIB-OAQYLSRUSA-N 1 0 646.591 6.037 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)CN3OC4(C[C@@H]23)CCCCC4)CC1 ZINC000027741015 561882508 /nfs/dbraw/zinc/88/25/08/561882508.db2.gz ZTKPOMSHWQYZEG-OLUZHXLYSA-N 1 0 531.741 6.232 1 0 KKAFRO c1ccc2c(c1)[nH]c1c2CCN(c2ncc(-c3ccc(OCC[NH+]4CCCC4)cc3)cn2)[C@H]1c1ccc2c(c1)CCO2 ZINC000027868587 561887940 /nfs/dbraw/zinc/88/79/40/561887940.db2.gz ARHUEIJTBOZVJC-UMSFTDKQSA-N 1 0 557.698 6.187 1 0 KKAFRO COc1cccc(OC)c1C(=O)N1CO[C@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000027988896 561892627 /nfs/dbraw/zinc/89/26/27/561892627.db2.gz OVTNSTNCWCOFPM-YTTGMZPUSA-N 1 0 612.554 5.245 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2cccc3cnccc32)c1 ZINC000027897122 561890388 /nfs/dbraw/zinc/89/03/88/561890388.db2.gz YVHBQDRDPOWMDK-DMBJWNJESA-N 1 0 612.862 8.757 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccc3ncccc3c2)c1 ZINC000027901152 561890989 /nfs/dbraw/zinc/89/09/89/561890989.db2.gz QPYSMILFTMUTRP-GVOFKLESSA-N 1 0 626.889 9.147 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000027982092 561891825 /nfs/dbraw/zinc/89/18/25/561891825.db2.gz KHNWJDINXUXFHT-DCWSAZFOSA-N 1 0 587.812 7.900 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cc4ccccc4o3)CO2)CC1 ZINC000027982676 561891948 /nfs/dbraw/zinc/89/19/48/561891948.db2.gz UIAKXKXTFVWEKJ-YTTGMZPUSA-N 1 0 592.523 5.974 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(NC(C)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994784 561893619 /nfs/dbraw/zinc/89/36/19/561893619.db2.gz XUXCLOCTQXBMDO-UMSFTDKQSA-N 1 0 656.607 5.862 1 0 KKAFRO COc1ccc(OCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007005 561895752 /nfs/dbraw/zinc/89/57/52/561895752.db2.gz WHCGPGKLISUXOR-MGBGTMOVSA-N 1 0 591.774 5.499 1 0 KKAFRO Cc1cc(-c2ccccc2)nn1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007243 561895768 /nfs/dbraw/zinc/89/57/68/561895768.db2.gz HZQZTHYEYWXIAQ-KCTCJIHVSA-N 1 0 540.752 6.245 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028010238 561896227 /nfs/dbraw/zinc/89/62/27/561896227.db2.gz BUBGVFLMAHPWIA-WJOKGBTCSA-N 1 0 580.556 5.695 1 0 KKAFRO CC(=O)OC1(c2ccccc2)CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010735 561896247 /nfs/dbraw/zinc/89/62/47/561896247.db2.gz DQMORGOZRPDLAR-SANMLTNESA-N 1 0 553.530 6.794 1 0 KKAFRO COc1ccc(OCCCC[NH2+]CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011457 561896543 /nfs/dbraw/zinc/89/65/43/561896543.db2.gz YHZAHLCAAYMREP-HKBQPEDESA-N 1 0 566.720 5.870 1 0 KKAFRO COc1cc(CCN2CC[NH+](CCCCOc3ccc(Cl)cc3[C@@H]3Sc4ccccc4N3C(C)=O)CC2)cc(OC)c1OC ZINC000028013171 561896727 /nfs/dbraw/zinc/89/67/27/561896727.db2.gz BMOOPJSSGFKUKB-UMSFTDKQSA-N 1 0 640.246 6.543 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012921 561896750 /nfs/dbraw/zinc/89/67/50/561896750.db2.gz ZTRZGKAWUDWYGL-XIFFEERXSA-N 1 0 594.774 6.602 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014275 561896998 /nfs/dbraw/zinc/89/69/98/561896998.db2.gz DKYYISTXVPXPTC-NBNUSJIVSA-N 1 0 610.818 7.180 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015679 561897247 /nfs/dbraw/zinc/89/72/47/561897247.db2.gz DYYAUPMKHPMGJX-SQSKQFLFSA-N 1 0 616.822 6.568 1 0 KKAFRO COc1cccc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028015663 561897272 /nfs/dbraw/zinc/89/72/72/561897272.db2.gz GUUBAKCFURYWAZ-WJOKGBTCSA-N 1 0 580.556 5.695 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)C[C@H](C)c2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028019517 561898087 /nfs/dbraw/zinc/89/80/87/561898087.db2.gz IGSKGZICNGWZMH-ICACTRECSA-N 1 0 564.748 6.764 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020666 561898369 /nfs/dbraw/zinc/89/83/69/561898369.db2.gz IBYSMUQVMPGPNX-WJOKGBTCSA-N 1 0 566.720 5.822 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2cccc(Br)c2)C1C(=O)OCC ZINC000028022530 561898814 /nfs/dbraw/zinc/89/88/14/561898814.db2.gz KGIZQDZWEFGGDO-COUQNMRISA-N 1 0 517.420 5.732 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cccc(N3CCC[NH2+]CC3)c2)cc1 ZINC000028085967 561898986 /nfs/dbraw/zinc/89/89/86/561898986.db2.gz XMZTYRACSCRGKC-UHFFFAOYSA-N 1 0 560.485 6.360 1 0 KKAFRO CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCC[NH+]1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000028087282 561899432 /nfs/dbraw/zinc/89/94/32/561899432.db2.gz JWFREIDKTUIMEC-BHVANESWSA-N 1 0 649.854 6.288 1 0 KKAFRO CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088263 561899591 /nfs/dbraw/zinc/89/95/91/561899591.db2.gz QWGGANWFKFBCQI-NNYJQHGCSA-N 1 0 612.737 6.239 1 0 KKAFRO O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028093123 561900373 /nfs/dbraw/zinc/90/03/73/561900373.db2.gz MVWIZZHMSROILD-XIFFEERXSA-N 1 0 636.881 5.832 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093798 561900385 /nfs/dbraw/zinc/90/03/85/561900385.db2.gz QXBBLTVHGIMTJE-QDOWCXKUSA-N 1 0 699.814 8.614 1 0 KKAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028093965 561900548 /nfs/dbraw/zinc/90/05/48/561900548.db2.gz UCBXWLPRAVDTBU-UZNICKRLSA-N 1 0 688.957 6.802 1 0 KKAFRO O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028094240 561900561 /nfs/dbraw/zinc/90/05/61/561900561.db2.gz POGDAPYUQHRUOU-MGBGTMOVSA-N 1 0 636.881 5.832 1 0 KKAFRO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095033 561900621 /nfs/dbraw/zinc/90/06/21/561900621.db2.gz OYAJBCNCCCHJQB-NGZLLANBSA-N 1 0 618.838 6.816 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000028095273 561900843 /nfs/dbraw/zinc/90/08/43/561900843.db2.gz JUFZAZPBSPFLIO-JYFHCDHNSA-N 1 0 534.595 5.387 1 0 KKAFRO NC(=[NH2+])NCc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028098071 561901083 /nfs/dbraw/zinc/90/10/83/561901083.db2.gz IADWULQKYSCHHK-UHFFFAOYSA-N 1 0 533.419 5.543 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028097335 561901104 /nfs/dbraw/zinc/90/11/04/561901104.db2.gz CAGZIBHOJDZLGX-WUSDWFAZSA-N 1 0 636.856 7.694 1 0 KKAFRO O=C(OCC1(N(C(=O)c2ccccc2)c2ccccc2)CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000028101191 561901697 /nfs/dbraw/zinc/90/16/97/561901697.db2.gz OLNJFXJBWKTHPP-UHFFFAOYSA-N 1 0 518.657 6.268 1 0 KKAFRO CN1CC[NH+](CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028106283 561902323 /nfs/dbraw/zinc/90/23/23/561902323.db2.gz SSJBBNZWJHOPCO-UHFFFAOYSA-N 1 0 622.835 7.057 1 0 KKAFRO O=C(c1ccccc1)c1ccc2c(c1O)N[C@@H](c1ccccc1)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113315 561903431 /nfs/dbraw/zinc/90/34/31/561903431.db2.gz IMGVLHPPOZVQNA-ZJJOJAIXSA-N 1 0 526.636 6.917 1 0 KKAFRO Cc1cccc(NC(=O)NC[C@@H](CCN2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028117622 561904117 /nfs/dbraw/zinc/90/41/17/561904117.db2.gz KIGNGGYJNXGYFO-HSZRJFAPSA-N 1 0 517.545 6.548 1 0 KKAFRO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136797 561906797 /nfs/dbraw/zinc/90/67/97/561906797.db2.gz PVIPSFPLLZFEEP-URLMMPGGSA-N 1 0 593.143 6.177 1 0 KKAFRO Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000028222885 561907536 /nfs/dbraw/zinc/90/75/36/561907536.db2.gz NCGHHQZXXVCREK-HKBQPEDESA-N 1 0 570.755 6.697 1 0 KKAFRO C[N@H+](Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241752 561910457 /nfs/dbraw/zinc/91/04/57/561910457.db2.gz NOTUERNGVKFNTG-UHFFFAOYSA-N 1 0 653.711 6.350 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242482 561910499 /nfs/dbraw/zinc/91/04/99/561910499.db2.gz OTZDCDSPVPUTBD-UHFFFAOYSA-N 1 0 644.143 7.501 1 0 KKAFRO CCC[N@H+](Cc1cccs1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330488 561912701 /nfs/dbraw/zinc/91/27/01/561912701.db2.gz RPJVLOPLWRKCGC-UHFFFAOYSA-N 1 0 514.853 8.339 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1)C(C)C ZINC000028341706 561914244 /nfs/dbraw/zinc/91/42/44/561914244.db2.gz GGJPQQMUVJRQGK-JGCGQSQUSA-N 1 0 527.709 5.169 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1 ZINC000028234482 561909486 /nfs/dbraw/zinc/90/94/86/561909486.db2.gz AFJYDYSZZNSFID-UHFFFAOYSA-N 1 0 503.887 5.976 1 0 KKAFRO [NH2+]=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1 ZINC000028234535 561909501 /nfs/dbraw/zinc/90/95/01/561909501.db2.gz BELHPEGCCJLMFZ-UHFFFAOYSA-N 1 0 527.497 6.386 1 0 KKAFRO CCONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028236877 561909936 /nfs/dbraw/zinc/90/99/36/561909936.db2.gz RLRMDPMAKXSSMN-UHFFFAOYSA-N 1 0 681.765 6.912 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2Cl)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238331 561910108 /nfs/dbraw/zinc/91/01/08/561910108.db2.gz SAILQDZQYBVBGM-UHFFFAOYSA-N 1 0 644.143 7.501 1 0 KKAFRO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578608 555451276 /nfs/dbraw/zinc/45/12/76/555451276.db2.gz OCSSPPVRIBPKRC-JHIRXSEKSA-N 1 0 542.120 5.871 2 0 KKAFRO C[C@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373749 561918800 /nfs/dbraw/zinc/91/88/00/561918800.db2.gz YCTBURIPZZAXBL-HBOJKDLWSA-N 1 0 656.296 5.385 1 0 KKAFRO C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374273 561918931 /nfs/dbraw/zinc/91/89/31/561918931.db2.gz ACJLOAVPAVWLDZ-FNAHTQKTSA-N 1 0 668.257 5.463 1 0 KKAFRO CN1CC[C@@H]([N@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028379889 561919929 /nfs/dbraw/zinc/91/99/29/561919929.db2.gz BXBBTGROZZZYEE-GOSISDBHSA-N 1 0 568.061 5.650 1 0 KKAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)C[NH+]1CCSCC1 ZINC000028385969 561921123 /nfs/dbraw/zinc/92/11/23/561921123.db2.gz RDSDHVFGSILSQU-MRXNPFEDSA-N 1 0 545.048 5.378 1 0 KKAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)C[NH+]1CCSCC1 ZINC000028389159 561921846 /nfs/dbraw/zinc/92/18/46/561921846.db2.gz UGGXSVBEXQDAJA-HNNXBMFYSA-N 1 0 531.021 5.075 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028392608 561922588 /nfs/dbraw/zinc/92/25/88/561922588.db2.gz GNZOJCOHOKFVIM-UHFFFAOYSA-N 1 0 511.022 5.857 1 0 KKAFRO CN(C)C(=O)C(CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028392914 561922639 /nfs/dbraw/zinc/92/26/39/561922639.db2.gz DAINDKBEXIHNNO-UHFFFAOYSA-N 1 0 510.600 5.453 1 0 KKAFRO CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC[NH+](CC)CC)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000028393538 561922785 /nfs/dbraw/zinc/92/27/85/561922785.db2.gz GNYVCXRBLUHBJB-JGCGQSQUSA-N 1 0 558.767 6.445 1 0 KKAFRO O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000028395697 561923026 /nfs/dbraw/zinc/92/30/26/561923026.db2.gz GZTSKKOAJWNVJG-UHFFFAOYSA-N 1 0 525.163 5.412 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)N(C)C(=O)[C@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455356 561923543 /nfs/dbraw/zinc/92/35/43/561923543.db2.gz VMDMREAZDDFEQM-OJXBSAKDSA-N 1 0 635.205 6.358 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)cc(C)c1C ZINC000028456514 561923805 /nfs/dbraw/zinc/92/38/05/561923805.db2.gz BEDCPQWYYPUQGP-IBGZPJMESA-N 1 0 552.100 5.789 1 0 KKAFRO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028460370 561925086 /nfs/dbraw/zinc/92/50/86/561925086.db2.gz PRNUQNNJUMXHQX-UHFFFAOYSA-N 1 0 504.600 7.634 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccsc3)c2=O)cc1 ZINC000028460953 561925150 /nfs/dbraw/zinc/92/51/50/561925150.db2.gz PPXSFJPNZQYDDB-NFTQTCPJSA-N 1 0 609.217 5.938 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000028461036 561925165 /nfs/dbraw/zinc/92/51/65/561925165.db2.gz SULBTMIZGPBCGI-KSMSDSDGSA-N 1 0 671.185 6.895 1 0 KKAFRO CC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028462462 561925498 /nfs/dbraw/zinc/92/54/98/561925498.db2.gz GUUTVUZKVDEKJX-UHFFFAOYSA-N 1 0 504.600 7.287 1 0 KKAFRO COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)CCc2cc(Sc3ccc(Cl)cc3)nn(-c3ccc(OC)cc3)c2=O)cc1 ZINC000028464597 561926010 /nfs/dbraw/zinc/92/60/10/561926010.db2.gz RZEHCDPRQJLFFG-KSMSDSDGSA-N 1 0 619.187 5.495 1 0 KKAFRO CCCC[N@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028464798 561926034 /nfs/dbraw/zinc/92/60/34/561926034.db2.gz QGLIVCVTAZGIAD-UHFFFAOYSA-N 1 0 518.627 8.025 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)NC1CC1 ZINC000028520689 561929069 /nfs/dbraw/zinc/92/90/69/561929069.db2.gz RXVHNQJRLPWMJA-HHHXNRCGSA-N 1 0 600.616 5.109 1 0 KKAFRO CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NCC[NH+]1CCCCC1)Cc1ccc(Cl)cc1 ZINC000028522360 561929513 /nfs/dbraw/zinc/92/95/13/561929513.db2.gz IFYSHYSCLCXIBE-GTCGAKFVSA-N 1 0 590.008 6.219 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522938 561929700 /nfs/dbraw/zinc/92/97/00/561929700.db2.gz YMRAFUPPFPFNJB-NPLMNSEMSA-N 1 0 528.741 5.888 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028528164 561932767 /nfs/dbraw/zinc/93/27/67/561932767.db2.gz WLNCGIQLHPVTPW-UHFFFAOYSA-N 1 0 554.703 5.446 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523959 561930636 /nfs/dbraw/zinc/93/06/36/561930636.db2.gz IWLOGSSUYJFLKZ-DEOSSOPVSA-N 1 0 505.490 5.815 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523906 561930648 /nfs/dbraw/zinc/93/06/48/561930648.db2.gz LETGUAMCHXDZCJ-GEWUYGHSSA-N 1 0 573.540 6.319 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028526450 561932070 /nfs/dbraw/zinc/93/20/70/561932070.db2.gz TWQUFWWKKMSFLA-NWEVKDEFSA-N 1 0 678.870 7.354 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000028527303 561932386 /nfs/dbraw/zinc/93/23/86/561932386.db2.gz RMBIIDOEEPBEST-PSXMRANNSA-N 1 0 673.901 5.969 1 0 KKAFRO CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(C[NH+](CC)CC)cc2C(C)C)c(-c2cccc(OC)c2)c2cccnc21 ZINC000028564869 561935833 /nfs/dbraw/zinc/93/58/33/561935833.db2.gz ZDWQRHMCONYDQM-UHFFFAOYSA-N 1 0 611.831 8.605 1 0 KKAFRO CCCCn1c2ncccc2c(-c2cccc(OCCC[NH+]3CCCC3)c2)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c1=O ZINC000028565122 561935904 /nfs/dbraw/zinc/93/59/04/561935904.db2.gz QQSYTCOFSZSIKV-UHFFFAOYSA-N 1 0 638.857 8.201 1 0 in-vitro KKAFRO CC(C)(C)[N@H+]1CC=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565430 561936214 /nfs/dbraw/zinc/93/62/14/561936214.db2.gz GIMALXBZPHYBGR-UHFFFAOYSA-N 1 0 555.908 8.645 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1ncc(Oc2cccc(F)c2)s1 ZINC000028568598 561937383 /nfs/dbraw/zinc/93/73/83/561937383.db2.gz UGCMPWVZDVKTSS-UHFFFAOYSA-N 1 0 539.633 5.243 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000028528374 561933003 /nfs/dbraw/zinc/93/30/03/561933003.db2.gz VZNCVMMCTJTAFE-HKBQPEDESA-N 1 0 532.750 5.476 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1 ZINC000028635685 561941140 /nfs/dbraw/zinc/94/11/40/561941140.db2.gz UPBALUIJOHCLMX-HHHXNRCGSA-N 1 0 575.544 6.037 1 0 KKAFRO CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028636489 561941245 /nfs/dbraw/zinc/94/12/45/561941245.db2.gz SYKLZSJRKKGRJA-MUUNZHRXSA-N 1 0 539.728 5.744 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCC[NH+]2CCN(CCCOC(=O)C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000028637874 561941789 /nfs/dbraw/zinc/94/17/89/561941789.db2.gz GCQGBWHIGHFUOP-CCEZHUSRSA-N 1 0 614.739 5.022 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028643244 561944012 /nfs/dbraw/zinc/94/40/12/561944012.db2.gz MJPJNZZHHPZRMW-LOYHVIPDSA-N 1 0 571.743 5.778 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000028643822 561944268 /nfs/dbraw/zinc/94/42/68/561944268.db2.gz QCHBVNCZAUFLMJ-JWQCQUIFSA-N 1 0 589.680 5.643 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000028644251 561944337 /nfs/dbraw/zinc/94/43/37/561944337.db2.gz DTNPKCVNXKBVJP-FQLXRVMXSA-N 1 0 577.791 5.922 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000028644731 561944443 /nfs/dbraw/zinc/94/44/43/561944443.db2.gz TVVRKNMDJNTDNA-CLJLJLNGSA-N 1 0 574.118 5.417 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(C[NH+]3CCCC3)ccc21 ZINC000028644856 561944444 /nfs/dbraw/zinc/94/44/44/561944444.db2.gz JCFWMGLQLSOSOF-FIRIVFDPSA-N 1 0 569.727 5.485 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000028645319 561944571 /nfs/dbraw/zinc/94/45/71/561944571.db2.gz MGXIAUQCPAQVBR-APPMPJGRSA-N 1 0 536.560 6.816 1 0 KKAFRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C[C@H]1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645330 561944630 /nfs/dbraw/zinc/94/46/30/561944630.db2.gz PAOZKBONXKGCEU-KYOCIYJJSA-N 1 0 550.587 7.062 1 0 KKAFRO NC(=[NH2+])N[C@H](COCCCCCCCCOc1ccc(OCc2ccccc2)cc1)Cc1ccccc1 ZINC000028645064 561944635 /nfs/dbraw/zinc/94/46/35/561944635.db2.gz CVXNMHZLJQUNMQ-NDEPHWFRSA-N 1 0 503.687 6.096 1 0 KKAFRO COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000028709303 561950649 /nfs/dbraw/zinc/95/06/49/561950649.db2.gz QXGYYIIXFSURBI-PSXMRANNSA-N 1 0 594.777 7.322 1 0 KKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000028710114 561950998 /nfs/dbraw/zinc/95/09/98/561950998.db2.gz UBAAMKRAOLDWBF-UHFFFAOYSA-N 1 0 511.710 6.107 1 0 KKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028710119 561951019 /nfs/dbraw/zinc/95/10/19/561951019.db2.gz OJVUOPKFXPMGGA-UHFFFAOYSA-N 1 0 547.690 6.386 1 0 KKAFRO COC(=O)c1cccc([C@@]23C[C@@H]2C[C@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(F)c2)CC3)c1 ZINC000028649966 561945645 /nfs/dbraw/zinc/94/56/45/561945645.db2.gz STURXAIPXAIRHE-LOLKONATSA-N 1 0 527.656 6.215 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702729 561947136 /nfs/dbraw/zinc/94/71/36/561947136.db2.gz JRZCODWVRVCQHW-XMMPIXPASA-N 1 0 636.662 6.990 1 0 KKAFRO Nc1nc([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702685 561947149 /nfs/dbraw/zinc/94/71/49/561947149.db2.gz XTYCUSYXJAWVFY-QFIPXVFZSA-N 1 0 594.625 6.614 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@@]12C=Cc1ccccc12 ZINC000028702689 561947151 /nfs/dbraw/zinc/94/71/51/561947151.db2.gz RWMKRGFJHUIINF-HPYKGQJFSA-N 1 0 608.652 6.860 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702710 561947206 /nfs/dbraw/zinc/94/72/06/561947206.db2.gz OQHYZEOWQMXHCP-DEOSSOPVSA-N 1 0 612.640 6.809 1 0 KKAFRO COC(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702819 561947343 /nfs/dbraw/zinc/94/73/43/561947343.db2.gz SFMLSDLMRDESKD-HSZRJFAPSA-N 1 0 628.639 7.029 1 0 KKAFRO CCCCCC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704023 561948111 /nfs/dbraw/zinc/94/81/11/561948111.db2.gz PZTOZWZKJLRLIC-JPXPHEEESA-N 1 0 620.722 9.156 1 0 KKAFRO COC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704038 561948118 /nfs/dbraw/zinc/94/81/18/561948118.db2.gz BZZXSUHOLOFNJP-WMQPQHNASA-N 1 0 580.613 6.832 1 0 KKAFRO CC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704056 561948233 /nfs/dbraw/zinc/94/82/33/561948233.db2.gz WZPMKCZRNPIWHY-WMQPQHNASA-N 1 0 514.607 6.716 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cccc(NS(C)(=O)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704532 561948637 /nfs/dbraw/zinc/94/86/37/561948637.db2.gz PTBVZWLQUNTUCO-UHFFFAOYSA-N 1 0 642.753 5.876 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cccc(NC(C)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704528 561948672 /nfs/dbraw/zinc/94/86/72/561948672.db2.gz RLLJIFQAPOMTDL-UHFFFAOYSA-N 1 0 606.698 6.463 1 0 KKAFRO C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC[NH+](C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000028707780 561950220 /nfs/dbraw/zinc/95/02/20/561950220.db2.gz OGXVBOIHGLDPBG-LJQANCHMSA-N 1 0 540.561 5.238 1 0 KKAFRO CC[NH+](CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028759834 561957680 /nfs/dbraw/zinc/95/76/80/561957680.db2.gz NOWGECDTRWCHKG-UHFFFAOYSA-N 1 0 589.622 6.940 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)no1 ZINC000028712463 561953056 /nfs/dbraw/zinc/95/30/56/561953056.db2.gz RFIKMECJVGIKGU-UHFFFAOYSA-N 1 0 524.694 5.885 1 0 KKAFRO CC(C)C[C@@H](C(=O)N1CCC(CC[NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713342 561953847 /nfs/dbraw/zinc/95/38/47/561953847.db2.gz HDUUEXOHKMSPLZ-UROXIYJWSA-N 1 0 626.842 6.002 1 0 KKAFRO O=C(CCCCc1ccccc1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714030 561954354 /nfs/dbraw/zinc/95/43/54/561954354.db2.gz VFAUJOHXJJLUGE-UHFFFAOYSA-N 1 0 522.137 5.227 1 0 KKAFRO O=C(Nc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1)c1cnc2ccccc2c1 ZINC000028714006 561954413 /nfs/dbraw/zinc/95/44/13/561954413.db2.gz DQPPGZMDGPIXRQ-JSOSNVBQSA-N 1 0 533.676 5.350 1 0 KKAFRO O=C(CCCc1c[nH]c2ccccc12)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714016 561954454 /nfs/dbraw/zinc/95/44/54/561954454.db2.gz NFRCQVVXANJLNS-UHFFFAOYSA-N 1 0 547.147 5.318 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(Cl)cc(Cl)c1 ZINC000028714033 561954462 /nfs/dbraw/zinc/95/44/62/561954462.db2.gz QWCZJWWYSIXZOO-UHFFFAOYSA-N 1 0 534.919 5.435 1 0 KKAFRO CC[NH2+]Cc1cc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)ccc1OC ZINC000028758569 561957201 /nfs/dbraw/zinc/95/72/01/561957201.db2.gz SJXLBFALXAPIQF-UHFFFAOYSA-N 1 0 512.445 6.144 1 0 KKAFRO O=C1NN(c2ccccc2)CC12CC[NH+](CCC[C@]1(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C1)CC2 ZINC000028765147 561959369 /nfs/dbraw/zinc/95/93/69/561959369.db2.gz VIGYJJFBPARTJM-XIFFEERXSA-N 1 0 605.610 6.468 1 0 KKAFRO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816178 561963964 /nfs/dbraw/zinc/96/39/64/561963964.db2.gz FMGHYAOOIORXPJ-ZAQUEYBZSA-N 1 0 610.798 8.391 1 0 KKAFRO C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1C[NH+]1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816388 561964108 /nfs/dbraw/zinc/96/41/08/561964108.db2.gz NGGXTXNCMMOGIG-LDNVYYCDSA-N 1 0 574.809 7.559 1 0 KKAFRO C[C@@H]1C[C@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816524 561964248 /nfs/dbraw/zinc/96/42/48/561964248.db2.gz HCHVNBOTRLPDIE-VXLFPREFSA-N 1 0 592.177 6.239 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816551 561964250 /nfs/dbraw/zinc/96/42/50/561964250.db2.gz CFQQVQBSOVDKEE-YWEHKCAJSA-N 1 0 596.140 5.990 1 0 KKAFRO COc1cc(-c2csc3c2c(N)ncc3NC(=O)NCC[NH+]2CCCC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822572 561967273 /nfs/dbraw/zinc/96/72/73/561967273.db2.gz VWOCJYLYEFQULE-UHFFFAOYSA-N 1 0 583.718 5.515 1 0 KKAFRO O=C(N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C2(C[NH+]3CCCC3)CC2)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822896 561967633 /nfs/dbraw/zinc/96/76/33/561967633.db2.gz BUQGYXXDLZFCTP-LOSJGSFVSA-N 1 0 505.062 5.030 1 0 KKAFRO CNC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823404 561967950 /nfs/dbraw/zinc/96/79/50/561967950.db2.gz DADQHECQKQBHAW-UHFFFAOYSA-N 1 0 574.814 6.550 1 0 KKAFRO COC(=O)c1ccc(-c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823432 561968115 /nfs/dbraw/zinc/96/81/15/561968115.db2.gz FYHZCWDCUMUZDP-UHFFFAOYSA-N 1 0 560.783 6.900 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000028824333 561969392 /nfs/dbraw/zinc/96/93/92/561969392.db2.gz DPODTCBEVBSNGA-QHCPKHFHSA-N 1 0 502.408 5.949 1 0 KKAFRO Cc1[nH]c2ccc(Cl)cc2c1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824429 561969620 /nfs/dbraw/zinc/96/96/20/561969620.db2.gz BPSAQZFVPPBVMN-XMMPIXPASA-N 1 0 650.167 5.570 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000028825257 561970686 /nfs/dbraw/zinc/97/06/86/561970686.db2.gz NZFYYEJXPLOPAU-NRFANRHFSA-N 1 0 521.061 6.058 1 0 KKAFRO CCC[NH+]1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825264 561970694 /nfs/dbraw/zinc/97/06/94/561970694.db2.gz LEFHHUCCAYXLCJ-UHFFFAOYSA-N 1 0 549.115 6.790 1 0 KKAFRO CSc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825988 561971074 /nfs/dbraw/zinc/97/10/74/561971074.db2.gz JAPSCNJHUFHCNO-UHFFFAOYSA-N 1 0 637.934 9.004 1 0 KKAFRO NC(=[NH2+])NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826244 561971309 /nfs/dbraw/zinc/97/13/09/561971309.db2.gz WSYDFYSRHSUITP-IADYIPOJSA-N 1 0 588.240 7.590 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H](N(Cc3ccccc3)C(=O)CCCc3c4ccccc4[nH]c3Cc3ccc(O)cc3)C2)C1 ZINC000028826304 561971398 /nfs/dbraw/zinc/97/13/98/561971398.db2.gz SITGVIABEDNZGQ-VWPRMMSESA-N 1 0 635.853 6.696 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2c3ccccc3CN2C(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)cc1 ZINC000028827051 561971479 /nfs/dbraw/zinc/97/14/79/561971479.db2.gz PSUKRKRXCDLYAY-JSXFGMRASA-N 1 0 727.755 6.719 1 0 KKAFRO CCCN1c2ccccc2C(C)(C)/C1=C\C=C1/CCCC(/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)=C1OC(C)=O ZINC000028862144 561971839 /nfs/dbraw/zinc/97/18/39/561971839.db2.gz JUWDCISHIKYUHV-UHFFFAOYSA-N 1 0 563.806 9.048 1 0 KKAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028864557 561973083 /nfs/dbraw/zinc/97/30/83/561973083.db2.gz MGDOJBMLIPRZAE-ZHACJKMWSA-N 1 0 603.727 5.268 1 0 KKAFRO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4ccc5ccccc5n4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028864365 561973126 /nfs/dbraw/zinc/97/31/26/561973126.db2.gz RFQUKRQDFNZKAP-UHFFFAOYSA-N 1 0 668.828 5.115 1 0 KKAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCC[NH2+]3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028871052 561974216 /nfs/dbraw/zinc/97/42/16/561974216.db2.gz CIWCIWKIJLDSKT-WRVRXEDSSA-N 1 0 562.762 5.278 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1 ZINC000028874132 561975078 /nfs/dbraw/zinc/97/50/78/561975078.db2.gz NNJUFGDODAVKHV-UHFFFAOYSA-N 1 0 531.672 5.317 1 0 KKAFRO COc1ccccc1-c1ccc(CN(CCC2CC[NH+](Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1 ZINC000028874313 561975218 /nfs/dbraw/zinc/97/52/18/561975218.db2.gz AMKLSCYIZASEGV-UHFFFAOYSA-N 1 0 585.789 6.826 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879397 561976290 /nfs/dbraw/zinc/97/62/90/561976290.db2.gz ZIDJCKAKCGREPA-IIZLTXOPSA-N 1 0 608.151 5.988 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(C)C ZINC000028825201 561970500 /nfs/dbraw/zinc/97/05/00/561970500.db2.gz SSKNMQIMSPFPDK-HHHXNRCGSA-N 1 0 576.807 5.297 1 0 KKAFRO O=C(OC[C@H]1CCc2c(F)cc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880439 561976714 /nfs/dbraw/zinc/97/67/14/561976714.db2.gz HBGHSOQXDLWDPG-JOCHJYFZSA-N 1 0 568.086 5.215 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2ccccc2Cl)nn1-c1ccc2ccccc2c1 ZINC000028887423 561977807 /nfs/dbraw/zinc/97/78/07/561977807.db2.gz JWJVEKNSOBKQLT-XMMPIXPASA-N 1 0 531.144 7.295 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887313 561977811 /nfs/dbraw/zinc/97/78/11/561977811.db2.gz YEMCMLVTIDTYOE-JOCHJYFZSA-N 1 0 566.577 7.428 1 0 KKAFRO CC[C@@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887337 561977813 /nfs/dbraw/zinc/97/78/13/561977813.db2.gz OJSYDGKOJKXORO-NDEPHWFRSA-N 1 0 581.588 7.785 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887439 561977884 /nfs/dbraw/zinc/97/78/84/561977884.db2.gz CJVBCOWJOPIJSO-DEOSSOPVSA-N 1 0 531.144 7.295 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(CC4CC[NH+](C)CC4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889637 561978017 /nfs/dbraw/zinc/97/80/17/561978017.db2.gz QQSBLRVDNSHDAC-UHFFFAOYSA-N 1 0 531.100 5.970 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cccc(OCCCC[NH+]3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000028892307 561978299 /nfs/dbraw/zinc/97/82/99/561978299.db2.gz ZQPYFQRYEPGWRH-AREMUKBSSA-N 1 0 553.747 6.865 1 0 KKAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000028895520 561979001 /nfs/dbraw/zinc/97/90/01/561979001.db2.gz XTVWWGBNZRULLJ-NDEPHWFRSA-N 1 0 574.574 5.465 1 0 KKAFRO Cc1c(C[N@H+](CCCCc2ccccc2)C2CCN(C(=O)c3cccc4ccccc43)CC2)c(=O)n(-c2ccccc2)n1C ZINC000028897631 561979244 /nfs/dbraw/zinc/97/92/44/561979244.db2.gz FCRDGLPGMABUKA-UHFFFAOYSA-N 1 0 586.780 6.767 1 0 KKAFRO O=C1NC(=Cc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899274 561979644 /nfs/dbraw/zinc/97/96/44/561979644.db2.gz FYZDOSGFCQEGGC-SXBRIOAWSA-N 1 0 530.628 5.898 1 0 KKAFRO CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNc3cccnc3)CC2)C1 ZINC000028959793 561983925 /nfs/dbraw/zinc/98/39/25/561983925.db2.gz OHSFUYVBJLWCRQ-WUFINQPMSA-N 1 0 518.105 5.120 1 0 KKAFRO O=C(NCCCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967500 561985257 /nfs/dbraw/zinc/98/52/57/561985257.db2.gz VVMDSTLRGNILOC-UHFFFAOYSA-N 1 0 514.695 6.268 1 0 KKAFRO CC(C)C(=O)Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1 ZINC000028967760 561985354 /nfs/dbraw/zinc/98/53/54/561985354.db2.gz JINILTRBRUIBFE-DHIUTWEWSA-N 1 0 500.668 6.331 1 0 KKAFRO CC(C)C(=O)Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1 ZINC000028967766 561985381 /nfs/dbraw/zinc/98/53/81/561985381.db2.gz JINILTRBRUIBFE-XZOQPEGZSA-N 1 0 500.668 6.331 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967850 561985391 /nfs/dbraw/zinc/98/53/91/561985391.db2.gz VZSYTNVKRSAXSQ-FTJBHMTQSA-N 1 0 540.733 7.255 1 0 KKAFRO Nc1ccccc1NC(=O)c1ccc([C@@H](C(=O)Nc2ccc3ccccc3c2)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000028976606 561987036 /nfs/dbraw/zinc/98/70/36/561987036.db2.gz YBTFCJQIFFETRP-DHUJRADRSA-N 1 0 583.736 6.214 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000028978425 561987819 /nfs/dbraw/zinc/98/78/19/561987819.db2.gz ZDVISXXOPXEHTP-URLMMPGGSA-N 1 0 596.694 5.491 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)nc2n1 ZINC000029037185 561988387 /nfs/dbraw/zinc/98/83/87/561988387.db2.gz HEJHZECVCFFTIH-UHFFFAOYSA-N 1 0 569.738 7.245 1 0 KKAFRO CC(C)C(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953921 561982740 /nfs/dbraw/zinc/98/27/40/561982740.db2.gz CMQBDFKEZWLEQI-IHLOFXLRSA-N 1 0 565.202 5.175 1 0 KKAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@H+](CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(-c2nnnn2C)c1 ZINC000029039087 561989449 /nfs/dbraw/zinc/98/94/49/561989449.db2.gz YHXDUUWKFOEDMD-AJCADDFISA-N 1 0 617.814 5.601 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039302 561989638 /nfs/dbraw/zinc/98/96/38/561989638.db2.gz WVBROEUVWQMGAX-JWLWOLHBSA-N 1 0 655.227 5.325 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039366 561989753 /nfs/dbraw/zinc/98/97/53/561989753.db2.gz OGVZETQIYCWTHE-OGXMWTIWSA-N 1 0 589.608 5.575 1 0 KKAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039598 561990075 /nfs/dbraw/zinc/99/00/75/561990075.db2.gz FDUNRVDGFUHUJI-XZWHSSHBSA-N 1 0 617.734 5.080 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 ZINC000029043188 561991965 /nfs/dbraw/zinc/99/19/65/561991965.db2.gz NCLQWDCIPKHQBS-LXQNXJGFSA-N 1 0 572.165 6.295 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044500 561992296 /nfs/dbraw/zinc/99/22/96/561992296.db2.gz RDFVOCUYZVRXEC-CUHIPCJKSA-N 1 0 568.640 5.036 1 0 KKAFRO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045593 561992617 /nfs/dbraw/zinc/99/26/17/561992617.db2.gz DPNVSUWPCQJXKN-BFBXESIISA-N 1 0 525.615 5.679 1 0 KKAFRO CN(C)C[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029046159 561992703 /nfs/dbraw/zinc/99/27/03/561992703.db2.gz LMTBBCDNRDHIPQ-CJXXQJBOSA-N 1 0 538.658 5.647 1 0 KKAFRO CCNC(=O)NC[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029046038 561992710 /nfs/dbraw/zinc/99/27/10/561992710.db2.gz BFQKLEKDFBXDCU-CJXXQJBOSA-N 1 0 581.683 5.404 1 0 KKAFRO CCOC(=O)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029048649 561993711 /nfs/dbraw/zinc/99/37/11/561993711.db2.gz NIWURZPXHKKFMY-USHMODERSA-N 1 0 524.621 5.316 1 0 KKAFRO O=c1ccc(-c2cc(C3CC[NH+](Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)[nH]n2)c[nH]1 ZINC000029049249 561994018 /nfs/dbraw/zinc/99/40/18/561994018.db2.gz TXAXABBSLWMLKG-UHFFFAOYSA-N 1 0 538.655 6.422 1 0 KKAFRO O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)[C@H]1C[NH2+]C[C@@H]1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000029055755 561994945 /nfs/dbraw/zinc/99/49/45/561994945.db2.gz SEVSUJRCGUIOBL-KYJUHHDHSA-N 1 0 719.521 5.634 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cscn4)c3=O)CC2)C(C)C)c1 ZINC000029062584 561996060 /nfs/dbraw/zinc/99/60/60/561996060.db2.gz AEKVLGLTXHMUPW-NDEPHWFRSA-N 1 0 534.726 5.755 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(CC6CC6)oc5cc4CC3)n2C)n1 ZINC000029126943 561999220 /nfs/dbraw/zinc/99/92/20/561999220.db2.gz KFMDKMLEGDZMCX-UHFFFAOYSA-N 1 0 538.721 6.015 1 0 KKAFRO Cc1nc2cc3c(c(C)c2o1)CC[N@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127036 561999393 /nfs/dbraw/zinc/99/93/93/561999393.db2.gz COKSKIXACCXTRS-LJQANCHMSA-N 1 0 526.710 6.068 1 0 KKAFRO CCc1nc2cc3c(c(C)c2o1)CC[N@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127080 561999431 /nfs/dbraw/zinc/99/94/31/561999431.db2.gz HGTGAIQIJPCZMF-UHFFFAOYSA-N 1 0 512.683 5.544 1 0 KKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000029130403 562002494 /nfs/dbraw/zinc/00/24/94/562002494.db2.gz VGQVERFTHHEIEQ-AKGWNBJDSA-N 1 0 528.718 5.494 1 0 KKAFRO CN(CCC[N@H+](C)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029205364 562005113 /nfs/dbraw/zinc/00/51/13/562005113.db2.gz BTOUXBIKDFEGTL-UHFFFAOYSA-N 1 0 660.821 6.568 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000029210558 562005652 /nfs/dbraw/zinc/00/56/52/562005652.db2.gz FOKCUERTAYBKPN-RWYGWLOXSA-N 1 0 743.909 5.268 1 0 KKAFRO O=C(c1ccc2oc(C[N@H+]3CCC[C@@H](n4cc(C(F)(F)F)ccc4=O)C3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029216201 562006436 /nfs/dbraw/zinc/00/64/36/562006436.db2.gz BGUKJIRWJBBKFX-HHHXNRCGSA-N 1 0 634.655 6.212 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000029220634 562007083 /nfs/dbraw/zinc/00/70/83/562007083.db2.gz WDFRRHNMLAWMDT-KDXMTYKHSA-N 1 0 745.881 5.446 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 ZINC000029320341 562012859 /nfs/dbraw/zinc/01/28/59/562012859.db2.gz IELWQDWPXLFYSD-NDEPHWFRSA-N 1 0 546.693 5.136 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346761 562016388 /nfs/dbraw/zinc/01/63/88/562016388.db2.gz VBJNBIZNIBCBGI-OFTUEALKSA-N 1 0 695.949 5.797 1 0 KKAFRO C[NH+]1CCC(NC(=O)CN2C(=O)[C@@H](CC(=O)NCc3cccc4ccccc43)S[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029390970 562017438 /nfs/dbraw/zinc/01/74/38/562017438.db2.gz NQVXCCOCRANZCK-PDDLMNHVSA-N 1 0 599.584 5.006 1 0 KKAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(C(=O)OCCCc4ccccc4)[C@H]2C3)c1 ZINC000029398722 562019270 /nfs/dbraw/zinc/01/92/70/562019270.db2.gz SXBVIWSLSYULRK-LLISZCHOSA-N 1 0 608.783 6.568 1 0 KKAFRO O=C(CCCCCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029408335 562021240 /nfs/dbraw/zinc/02/12/40/562021240.db2.gz UZUHWGICSCOJGQ-UHFFFAOYSA-N 1 0 661.722 8.072 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029409347 562021296 /nfs/dbraw/zinc/02/12/96/562021296.db2.gz CERGKSWDFXQEKG-ISILISOKSA-N 1 0 656.937 7.655 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029409352 562021353 /nfs/dbraw/zinc/02/13/53/562021353.db2.gz CERGKSWDFXQEKG-VMPREFPWSA-N 1 0 656.937 7.655 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1)C1CCCCC1 ZINC000029412376 562022071 /nfs/dbraw/zinc/02/20/71/562022071.db2.gz LHYYBCCLZPVGJL-UHFFFAOYSA-N 1 0 550.791 7.797 1 0 KKAFRO CCCCN(CCCC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029415341 562022748 /nfs/dbraw/zinc/02/27/48/562022748.db2.gz OOQYHLZERMVFTM-UHFFFAOYSA-N 1 0 552.807 8.044 1 0 KKAFRO CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029467012 562024668 /nfs/dbraw/zinc/02/46/68/562024668.db2.gz KVMGSEHSJXQRMD-UHFFFAOYSA-N 1 0 571.187 8.128 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C[NH2+]CCc4ccccn4)cn3c2=O)c1 ZINC000029467745 562024859 /nfs/dbraw/zinc/02/48/59/562024859.db2.gz KGSAPGXQCVVXLP-UHFFFAOYSA-N 1 0 539.655 5.172 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[NH2+]CCc4ccccn4)n3c2=O)c1 ZINC000029468801 562025105 /nfs/dbraw/zinc/02/51/05/562025105.db2.gz KHDCNGJMDSMBGX-UHFFFAOYSA-N 1 0 553.682 5.692 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1c(C(C)(C)C)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029469570 562025324 /nfs/dbraw/zinc/02/53/24/562025324.db2.gz MXYRIRBUIAUAJO-UHFFFAOYSA-N 1 0 561.746 5.739 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000029474608 562026250 /nfs/dbraw/zinc/02/62/50/562026250.db2.gz WQFOIENCGNAPLN-UXBLZVDNSA-N 1 0 514.497 6.663 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](CCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029489530 562029107 /nfs/dbraw/zinc/02/91/07/562029107.db2.gz YEOXHNNQFZRYKV-HHHXNRCGSA-N 1 0 586.585 5.424 1 0 KKAFRO Cc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000029547186 562030224 /nfs/dbraw/zinc/03/02/24/562030224.db2.gz DYUQPTMSRRBQRV-NDEPHWFRSA-N 1 0 511.493 6.383 1 0 KKAFRO COc1ccc(OCCC[N@H+](CCOc2ccc3c(c2)OCO3)C(C)C)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551070 562030924 /nfs/dbraw/zinc/03/09/24/562030924.db2.gz LCYJTLRSGQLOLN-SSEXGKCCSA-N 1 0 564.704 5.792 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(Cl)nc1 ZINC000029553227 562031631 /nfs/dbraw/zinc/03/16/31/562031631.db2.gz VPSIUNWAGSQONL-HXBMFNGISA-N 1 0 714.303 7.402 1 0 KKAFRO CN(C(=O)[C@H]1CCc2c(Br)sc3cccc1c32)[C@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000029553895 562031717 /nfs/dbraw/zinc/03/17/17/562031717.db2.gz WPDLVWOUMWRXIF-XXKSCLRYSA-N 1 0 517.533 5.718 1 0 KKAFRO CC(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553769 562031726 /nfs/dbraw/zinc/03/17/26/562031726.db2.gz WKQSQQHHTZBHTH-OCBJUFRSSA-N 1 0 601.754 5.842 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@@H](C)c1ccccc1)(C(=O)O[C@@H](C)c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563420 562033760 /nfs/dbraw/zinc/03/37/60/562033760.db2.gz KRVMSMVZLFOBIC-HSFWNXDSSA-N 1 0 630.137 6.671 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCCOCc1ccccc1)(C(=O)OCCCOCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563453 562033794 /nfs/dbraw/zinc/03/37/94/562033794.db2.gz WMWHRXNMXHUDHU-UYHPJTEGSA-N 1 0 718.243 6.362 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN(CCO)CC2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029567876 562034767 /nfs/dbraw/zinc/03/47/67/562034767.db2.gz OKVAHAGUAGNAHL-UHFFFAOYSA-N 1 0 560.661 5.945 1 0 KKAFRO Cc1ccc(OP(=O)(Oc2ccc(C)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633576 562039236 /nfs/dbraw/zinc/03/92/36/562039236.db2.gz AJFSGDNYRDNGAP-NDEPHWFRSA-N 1 0 558.575 6.885 1 0 KKAFRO CCCC[NH2+]C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000033848714 562037675 /nfs/dbraw/zinc/03/76/75/562037675.db2.gz FLVVNUOVRIIWEN-CCCDLHSFSA-N 1 0 508.506 7.380 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000034689169 562039674 /nfs/dbraw/zinc/03/96/74/562039674.db2.gz VMQFABUDELJKAB-IDWATVSYSA-N 1 0 531.656 5.410 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCC)CCC)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802838 562042236 /nfs/dbraw/zinc/04/22/36/562042236.db2.gz YKOUKXYRLJFZAA-UHFFFAOYSA-N 1 0 528.737 7.579 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cncnc3)cn2)cc1 ZINC000034802950 562042290 /nfs/dbraw/zinc/04/22/90/562042290.db2.gz PWHORWWQQSDBRG-UHFFFAOYSA-N 1 0 515.746 6.816 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000034804143 562042896 /nfs/dbraw/zinc/04/28/96/562042896.db2.gz VMOJBBXFYCGPAL-QFIPXVFZSA-N 1 0 501.515 5.547 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1 ZINC000034875386 562043915 /nfs/dbraw/zinc/04/39/15/562043915.db2.gz LLFKLRYNPXQRCI-UHFFFAOYSA-N 1 0 503.434 5.916 1 0 KKAFRO CCC[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036089468 562047091 /nfs/dbraw/zinc/04/70/91/562047091.db2.gz YCWWVMILONBSIH-UHFFFAOYSA-N 1 0 508.453 5.896 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000036140637 562048034 /nfs/dbraw/zinc/04/80/34/562048034.db2.gz DZTHNMBIWFXTLC-YDSCLTKRSA-N 1 0 523.677 5.862 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@]12C=Cc1ccccc12 ZINC000036159578 562048317 /nfs/dbraw/zinc/04/83/17/562048317.db2.gz RWMKRGFJHUIINF-ULNHTAIJSA-N 1 0 608.652 6.860 1 0 KKAFRO CCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)cc1 ZINC000036161405 562048649 /nfs/dbraw/zinc/04/86/49/562048649.db2.gz WPWYNNQYWNWPOH-FREGXXQWSA-N 1 0 569.812 5.881 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc21 ZINC000036161393 562048651 /nfs/dbraw/zinc/04/86/51/562048651.db2.gz LXBKFSGRBQGXOK-JYFHCDHNSA-N 1 0 553.794 5.917 1 0 KKAFRO O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH+]3CCC3)ccc21 ZINC000036161534 562048794 /nfs/dbraw/zinc/04/87/94/562048794.db2.gz IGJZXPWWZOFEDV-JYFHCDHNSA-N 1 0 549.659 5.038 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000036175791 562049007 /nfs/dbraw/zinc/04/90/07/562049007.db2.gz GPHKYWKJDLRMFR-QFIPXVFZSA-N 1 0 532.628 6.527 1 0 KKAFRO COc1ccccc1N([C@@H](C)c1ccccc1OCCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175722 562049017 /nfs/dbraw/zinc/04/90/17/562049017.db2.gz LAKBDEWHYLFSHJ-QFIPXVFZSA-N 1 0 529.102 6.170 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175843 562049132 /nfs/dbraw/zinc/04/91/32/562049132.db2.gz BTXWNKQQWSHJIB-AREMUKBSSA-N 1 0 603.184 7.392 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ncn2)cc1 ZINC000036187632 562050708 /nfs/dbraw/zinc/05/07/08/562050708.db2.gz YVZQOCLXMWGDHR-UHFFFAOYSA-N 1 0 635.691 7.189 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(NC(=O)c4cc5ccccc5s4)ccc3C)ncn2)cc1 ZINC000036187634 562050747 /nfs/dbraw/zinc/05/07/47/562050747.db2.gz XUASKENDBLPZPS-UHFFFAOYSA-N 1 0 623.783 7.385 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3c(Cl)cccc3C(F)(F)F)ncn2)cc1 ZINC000036187639 562050750 /nfs/dbraw/zinc/05/07/50/562050750.db2.gz TXFDGOGUBYLWBZ-UHFFFAOYSA-N 1 0 536.986 6.281 1 0 KKAFRO O=C(/C=C/C[NH+]1CCCCC1)Nc1cc2c(cc1OCCF)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000035873690 562045527 /nfs/dbraw/zinc/04/55/27/562045527.db2.gz GFMMDHSSOIPFTF-SNAWJCMRSA-N 1 0 501.965 5.495 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCC[C@H]2c2ccccc2)ccc1OC(C)C ZINC000035822165 562045535 /nfs/dbraw/zinc/04/55/35/562045535.db2.gz ICHSQGVMXMADMI-BHBYDHKZSA-N 1 0 524.665 6.520 1 0 KKAFRO Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCCC1 ZINC000035953590 562045913 /nfs/dbraw/zinc/04/59/13/562045913.db2.gz GFRJMFXDXSQXNX-UHFFFAOYSA-N 1 0 518.843 5.622 1 0 KKAFRO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](CC3CCCCC3)CC2)c2ccccc21)c1ccccc1Cl ZINC000036188219 562050856 /nfs/dbraw/zinc/05/08/56/562050856.db2.gz AQYOBQIIGLFQRP-UHFFFAOYSA-N 1 0 562.545 7.066 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2csc3ccccc23)CC1 ZINC000036285481 562054271 /nfs/dbraw/zinc/05/42/71/562054271.db2.gz TUQXAWVZCHPWJW-QHCPKHFHSA-N 1 0 503.634 6.247 1 0 KKAFRO CCOc1cccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285717 562054346 /nfs/dbraw/zinc/05/43/46/562054346.db2.gz FGPYYVRPPVIISD-CPJSRVTESA-N 1 0 505.625 5.677 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2O)CC1 ZINC000036285743 562054354 /nfs/dbraw/zinc/05/43/54/562054354.db2.gz USLNHTRUXIZORR-JTSKRJEESA-N 1 0 512.016 5.638 1 0 KKAFRO [NH3+]CCN[C@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285819 562054535 /nfs/dbraw/zinc/05/45/35/562054535.db2.gz OMCXUMCRYQFZNQ-MUUNZHRXSA-N 1 0 573.540 5.220 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc21 ZINC000036349214 562057838 /nfs/dbraw/zinc/05/78/38/562057838.db2.gz CQGFWVSHFMZYIX-SSEXGKCCSA-N 1 0 542.687 5.689 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1 ZINC000036349210 562057854 /nfs/dbraw/zinc/05/78/54/562057854.db2.gz OGHUYUKIMSORCD-PSXMRANNSA-N 1 0 635.816 6.995 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1 ZINC000036349197 562057882 /nfs/dbraw/zinc/05/78/82/562057882.db2.gz RUNMBACJZJEKQV-GDLZYMKVSA-N 1 0 614.581 6.518 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3ccc(C(F)(F)F)cc3)n2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000036351492 562058474 /nfs/dbraw/zinc/05/84/74/562058474.db2.gz QWGSMTMVLWLWGB-BJKOFHAPSA-N 1 0 574.692 5.337 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(OC(F)(F)F)cc4)C[C@H]23)CC1 ZINC000036351506 562058491 /nfs/dbraw/zinc/05/84/91/562058491.db2.gz CUAOLPFNRIMUNG-AVPJRLCVSA-N 1 0 569.043 5.969 1 0 KKAFRO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351493 562058561 /nfs/dbraw/zinc/05/85/61/562058561.db2.gz SKWFXNIWDGEMBS-ZEQRLZLVSA-N 1 0 591.744 6.070 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000036351497 562058574 /nfs/dbraw/zinc/05/85/74/562058574.db2.gz PVIPSFPLLZFEEP-WDYNHAJCSA-N 1 0 593.143 6.177 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000036351574 562058614 /nfs/dbraw/zinc/05/86/14/562058614.db2.gz ZBWCIGIECRCQTM-AVPJRLCVSA-N 1 0 503.037 5.210 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccc[nH]3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351686 562058971 /nfs/dbraw/zinc/05/89/71/562058971.db2.gz BCSNLJDMKOJVES-HKBQPEDESA-N 1 0 551.562 7.181 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccsc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351661 562058981 /nfs/dbraw/zinc/05/89/81/562058981.db2.gz UGGDWDWAVIMIDR-HKBQPEDESA-N 1 0 568.614 7.914 1 0 KKAFRO C[NH+]1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCOCC5)c4)C[C@@H]3C2)CC1 ZINC000036351797 562059150 /nfs/dbraw/zinc/05/91/50/562059150.db2.gz LFKWTBBRONKEKP-CLTMYIMISA-N 1 0 611.662 5.656 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000036378316 562059650 /nfs/dbraw/zinc/05/96/50/562059650.db2.gz PODNXBRQMKYVOI-XUZZJYLKSA-N 1 0 535.681 6.526 3 0 KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(NS(=O)(=O)CC[NH+]4CCCC4)cc3)nnc2c1 ZINC000037858301 562061875 /nfs/dbraw/zinc/06/18/75/562061875.db2.gz PXYPMYUQQFJBDW-UHFFFAOYSA-N 1 0 516.671 5.198 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2cccc(Cl)c2)CC1 ZINC000038139262 562062585 /nfs/dbraw/zinc/06/25/85/562062585.db2.gz DARLBPMSWYXKLJ-NRFANRHFSA-N 1 0 556.151 5.635 3 0 KKAFRO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cnn2-c2cccc(Cl)c2)CC1 ZINC000038139263 562062589 /nfs/dbraw/zinc/06/25/89/562062589.db2.gz DARLBPMSWYXKLJ-OAQYLSRUSA-N 1 0 556.151 5.635 3 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000038141634 562063271 /nfs/dbraw/zinc/06/32/71/562063271.db2.gz UNKQRIKLJYKDOX-DHLKQENFSA-N 1 0 587.713 6.757 3 0 KKAFRO COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038146170 562064936 /nfs/dbraw/zinc/06/49/36/562064936.db2.gz MQZDVCONYYKCKZ-QCENPCRXSA-N 1 0 583.704 5.942 3 0 KKAFRO Cc1ccccc1/C=C/C[N@H+]1C[C@H](C)[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)C(C)(C)c3ccccc3)C[C@@H]1C2 ZINC000038147751 562065601 /nfs/dbraw/zinc/06/56/01/562065601.db2.gz KXYZDTGXYVOHGN-YRDFSUTHSA-N 1 0 522.733 6.619 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)C[C@H](C)c2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000038148484 562065762 /nfs/dbraw/zinc/06/57/62/562065762.db2.gz IGSKGZICNGWZMH-GHRAFVERSA-N 1 0 564.748 6.764 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CC[NH+](CCCN4CCOCC4)CC3)ccc2c1 ZINC000038149726 562066118 /nfs/dbraw/zinc/06/61/18/562066118.db2.gz CXZNETVGABHSHU-UHFFFAOYSA-N 1 0 615.203 5.156 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(C[NH+]3CCC(c4ccccc4)CC3)cc2c1 ZINC000038149686 562066167 /nfs/dbraw/zinc/06/61/67/562066167.db2.gz NRMDDYSFIYWXTP-UHFFFAOYSA-N 1 0 568.167 8.362 1 0 KKAFRO CC(C)CC[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150638 562066304 /nfs/dbraw/zinc/06/63/04/562066304.db2.gz UELKUDQFDGWQCV-SVBPBHIXSA-N 1 0 524.702 5.325 1 0 KKAFRO CC[NH+](CC)CCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc32)CC1 ZINC000038151320 562066961 /nfs/dbraw/zinc/06/69/61/562066961.db2.gz OUUXOBPMSJBDDF-UHFFFAOYSA-N 1 0 580.751 5.012 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2ccc(OC)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040395262 562074504 /nfs/dbraw/zinc/07/45/04/562074504.db2.gz GAOCCMGLJNRQJF-HHHXNRCGSA-N 1 0 517.508 5.123 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157517 562069191 /nfs/dbraw/zinc/06/91/91/562069191.db2.gz OIQRRPTWMZBNMA-DWACAAAGSA-N 1 0 528.759 5.323 1 0 KKAFRO O=C(CCCS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000038257448 562070651 /nfs/dbraw/zinc/07/06/51/562070651.db2.gz UJKOLEFKHCUWEI-GDLZYMKVSA-N 1 0 504.696 5.573 1 0 KKAFRO CC(C)n1c(N2CC[NH2+]CC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000143645058 562835185 /nfs/dbraw/zinc/83/51/85/562835185.db2.gz SVHOOLBSHFPWHK-UHFFFAOYSA-N 1 0 559.926 5.077 1 0 KKAFRO [NH3+]CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000040402984 562074710 /nfs/dbraw/zinc/07/47/10/562074710.db2.gz WEJSFFXHSJTDMD-UHFFFAOYSA-N 1 0 509.481 5.182 1 0 KKAFRO O=C(O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380300 562073433 /nfs/dbraw/zinc/07/34/33/562073433.db2.gz IADMULLWDVKTFY-NRZVBSRUSA-N 1 0 529.684 6.351 1 0 KKAFRO Cc1cccc(C)c1/C=C/n1cnc2c1nc(C1CC[NH+](C)CC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040393457 562073960 /nfs/dbraw/zinc/07/39/60/562073960.db2.gz ZBNYUKRKQDQVAN-OBGWFSINSA-N 1 0 514.614 5.872 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)C[C@H]([NH+]2CCCC2)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040393023 562073982 /nfs/dbraw/zinc/07/39/82/562073982.db2.gz LISRBXCIODAVII-XORNHQRDSA-N 1 0 500.483 5.682 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CC[NH2+]CC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000040404850 562074822 /nfs/dbraw/zinc/07/48/22/562074822.db2.gz YRKPZNQKOBPXHN-UHFFFAOYSA-N 1 0 540.752 5.854 1 0 KKAFRO CCc1c2ccc(OC)c(OCc3ccccc3C(F)(F)F)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040404303 562074824 /nfs/dbraw/zinc/07/48/24/562074824.db2.gz YDDHNMIORJRHNK-UHFFFAOYSA-N 1 0 524.559 6.536 1 0 KKAFRO C[C@@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395451 562074454 /nfs/dbraw/zinc/07/44/54/562074454.db2.gz RKTACIMPZTWTHT-BHKDYNOVSA-N 1 0 523.504 6.145 1 0 KKAFRO CC[NH+](CC)C[C@@H](O)CSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422449 562075967 /nfs/dbraw/zinc/07/59/67/562075967.db2.gz LLMCAXLJBYLHOZ-FYYLOGMGSA-N 1 0 514.679 5.868 1 0 KKAFRO CCOCCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000040424163 562076423 /nfs/dbraw/zinc/07/64/23/562076423.db2.gz ZMOFSGCUQSWCJB-STXQHDJLSA-N 1 0 508.147 5.804 1 0 KKAFRO CC(C)(C)NC(=O)Nc1cccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c21 ZINC000040567077 562077969 /nfs/dbraw/zinc/07/79/69/562077969.db2.gz JMCCQVQPZUTZMI-UHFFFAOYSA-N 1 0 514.678 5.481 1 0 KKAFRO c1ccc(COc2ccc(CCCN3CC[NH+](CCCCn4c5ccccc5c5ccccc54)CC3)cc2)cc1 ZINC000040836407 562080151 /nfs/dbraw/zinc/08/01/51/562080151.db2.gz YINAQRZLIUZONU-UHFFFAOYSA-N 1 0 531.744 7.404 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000040847788 562080454 /nfs/dbraw/zinc/08/04/54/562080454.db2.gz ZEWCABNLZQHYMM-XMMPIXPASA-N 1 0 516.473 5.354 1 0 KKAFRO C[C@@H](c1ccn(-c2ccc(C(F)(F)F)cc2)c1)[NH+]1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000040899809 562083368 /nfs/dbraw/zinc/08/33/68/562083368.db2.gz KECSVTDSTFIBIO-SFHVURJKSA-N 1 0 505.968 5.870 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000040899757 562083397 /nfs/dbraw/zinc/08/33/97/562083397.db2.gz RQPULMZJFUJILJ-UHFFFAOYSA-N 1 0 519.911 5.068 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)CC1 ZINC000040950210 562085981 /nfs/dbraw/zinc/08/59/81/562085981.db2.gz CIVXUIZMHXDXKK-UHFFFAOYSA-N 1 0 532.729 5.164 1 0 KKAFRO C=CC(=O)O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040951394 562085997 /nfs/dbraw/zinc/08/59/97/562085997.db2.gz VGJPOVXZFZAYNR-PMERELPUSA-N 1 0 519.636 5.451 1 0 KKAFRO COc1ccc(-c2c3ccccn3c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)c2=O)cc1 ZINC000040952334 562086141 /nfs/dbraw/zinc/08/61/41/562086141.db2.gz WDBRYUHRFVVVLM-UHFFFAOYSA-N 1 0 522.649 5.278 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952146 562086147 /nfs/dbraw/zinc/08/61/47/562086147.db2.gz HMYAEJVTRKONJY-JTHBVZDNSA-N 1 0 512.663 5.622 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000040954149 562086397 /nfs/dbraw/zinc/08/63/97/562086397.db2.gz YYRQKVPZQIKPRY-VTZPFEBOSA-N 1 0 512.538 6.812 1 0 KKAFRO Clc1ccc(Nc2nc3ccccc3c3nc(C4CC[NH+](Cc5ccccc5)CC4)[nH]c32)cc1Cl ZINC000040954781 562086565 /nfs/dbraw/zinc/08/65/65/562086565.db2.gz JSXCNAROFOUKJW-UHFFFAOYSA-N 1 0 502.449 7.541 1 0 KKAFRO CC[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040956529 562086666 /nfs/dbraw/zinc/08/66/66/562086666.db2.gz GWYSPLBUEQXDCT-TUUKDFBESA-N 1 0 508.547 5.940 1 0 KKAFRO CCC(=O)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976244 562087143 /nfs/dbraw/zinc/08/71/43/562087143.db2.gz RHRXILJKQSDOMT-PMERELPUSA-N 1 0 521.652 6.195 1 0 KKAFRO O=C(Nc1ccccc1)N1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040976261 562087160 /nfs/dbraw/zinc/08/71/60/562087160.db2.gz WSPJCXDAFUSHQL-PMERELPUSA-N 1 0 532.526 6.927 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1coc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)c1 ZINC000042201866 562087456 /nfs/dbraw/zinc/08/74/56/562087456.db2.gz UJYWZVPEMTYMBL-UHFFFAOYSA-N 1 0 528.634 5.347 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1ccoc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000042201868 562087536 /nfs/dbraw/zinc/08/75/36/562087536.db2.gz ZBBOYUJFPDIEDF-UHFFFAOYSA-N 1 0 528.634 5.347 1 0 KKAFRO O=C(NCCC[NH+]1CCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042803584 562088409 /nfs/dbraw/zinc/08/84/09/562088409.db2.gz FRVRETVPMVMMPI-FVRFUWMBSA-N 1 0 630.214 5.063 1 0 KKAFRO O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[N@@H+](C[C@@]56C[C@H](CC1)N2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089779 /nfs/dbraw/zinc/08/97/79/562089779.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 1 0 562.758 6.623 1 0 KKAFRO CC[NH2+]C1(Oc2cc(OC)c3c(c2)-c2c(O)cc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567560 560070400 /nfs/dbraw/zinc/07/04/00/560070400.db2.gz UHQQLWAKXOGKJZ-BNHRFMORSA-N 1 0 591.701 5.748 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532563 560072540 /nfs/dbraw/zinc/07/25/40/560072540.db2.gz FCAVBRNMXYOUJA-BXNKQUFXSA-N 1 0 513.719 6.216 1 0 biogenic,in-vitro KKAFRO CC[C@H](O)[C@@H]1[C@H]2CC[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@@H+]21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532453 560072613 /nfs/dbraw/zinc/07/26/13/560072613.db2.gz DZYBEBKFWODSBU-CUYIGYCPSA-N 1 0 505.655 5.269 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4CCCC4)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532515 560072777 /nfs/dbraw/zinc/07/27/77/560072777.db2.gz KOGQRPDDFFOUFA-GFWSCSJBSA-N 1 0 533.709 5.878 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532444 560072865 /nfs/dbraw/zinc/07/28/65/560072865.db2.gz VJBFPLBETNUQFQ-BALGPYATSA-N 1 0 563.735 5.241 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCCC(C)C)[C@H]2[C@@H]1C ZINC000085532447 560072876 /nfs/dbraw/zinc/07/28/76/560072876.db2.gz URVVZUHEMBRNNU-PUNCXLIBSA-N 1 0 561.763 6.685 1 0 biogenic,in-vitro KKAFRO CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C\CCC4=[NH+]CCC[C@@]43CC2)OC1=O ZINC000015265887 571738642 /nfs/dbraw/zinc/73/86/42/571738642.db2.gz DVXZVCNEGRKLMW-ZNWBEMGTSA-N 1 0 507.715 6.427 1 0 endogenous,in-man KKAFRO [NH3+][C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCc1ccc(I)cc1 ZINC000043074751 562645666 /nfs/dbraw/zinc/64/56/66/562645666.db2.gz WUSDKYZDJQIATC-LEWIYUGNSA-N 1 0 501.493 5.752 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000043080734 562645872 /nfs/dbraw/zinc/64/58/72/562645872.db2.gz VWBONYFKEMSEAV-UHFFFAOYSA-N 1 0 574.007 5.784 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000043122344 562646208 /nfs/dbraw/zinc/64/62/08/562646208.db2.gz LWYNHLQFGJBUEK-AREMUKBSSA-N 1 0 530.635 5.102 1 0 KKAFRO CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCC[N@H+](C)CC4)ccc3n21 ZINC000043131891 562646354 /nfs/dbraw/zinc/64/63/54/562646354.db2.gz MZUNJRMUTJBHGB-LJAQVGFWSA-N 1 0 542.728 5.765 1 0 in-vitro KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000043151677 562646412 /nfs/dbraw/zinc/64/64/12/562646412.db2.gz PEFPYUBFXFOFOB-WDYNHAJCSA-N 1 0 581.584 7.261 1 0 KKAFRO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(C[NH+](C)C)c4)cc32)cc1 ZINC000043170526 562646532 /nfs/dbraw/zinc/64/65/32/562646532.db2.gz NSQXHPWPAPWSLN-UHFFFAOYSA-N 1 0 507.642 5.983 1 0 KKAFRO CCCN(C(C)=O)C1CC[NH+](CC[C@](C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000043203082 562646947 /nfs/dbraw/zinc/64/69/47/562646947.db2.gz HGOGUZYKZRGMAO-YTMVLYRLSA-N 1 0 566.545 5.353 1 0 KKAFRO C[N@H+](C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)c(Cl)c(Cl)c4)c32)C1)C(C)(C)C ZINC000043203720 562647006 /nfs/dbraw/zinc/64/70/06/562647006.db2.gz IMDIVOQCLUSJJU-AATRIKPKSA-N 1 0 520.486 5.619 1 0 KKAFRO Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@@H](C[NH+]3CCN(c4ccccc4)CC3)c3ccccc3)n1-2 ZINC000043323503 562647842 /nfs/dbraw/zinc/64/78/42/562647842.db2.gz OEMRNLJPDBLZPQ-PMERELPUSA-N 1 0 559.117 6.226 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3cccc4ccccc43)cc2)n1 ZINC000043531697 562649179 /nfs/dbraw/zinc/64/91/79/562649179.db2.gz YDKYEGCNKOLAGV-HKBQPEDESA-N 1 0 592.696 6.042 1 0 KKAFRO COC(=O)CCCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543878 562649489 /nfs/dbraw/zinc/64/94/89/562649489.db2.gz QJUAXODEEXVVSK-HVQFLVGFSA-N 1 0 515.779 6.846 1 0 KKAFRO COC(=O)CCCCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543927 562649524 /nfs/dbraw/zinc/64/95/24/562649524.db2.gz NPBLYVPUBWUSAO-ZWWVIQJBSA-N 1 0 529.806 7.236 1 0 KKAFRO C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000043589945 562650134 /nfs/dbraw/zinc/65/01/34/562650134.db2.gz UTHMUINLECVICV-UEUXDIAVSA-N 1 0 550.096 5.115 1 0 KKAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]Cc1ccccc1 ZINC000043649271 562650618 /nfs/dbraw/zinc/65/06/18/562650618.db2.gz XHAWYULGYZHIEE-WJOKGBTCSA-N 1 0 599.739 5.456 1 0 KKAFRO C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[NH+](C)C)=CC[C@@H]4[C@@H]3CC[C@@H]2[C@H]1OC(C)=O ZINC000043889166 562651179 /nfs/dbraw/zinc/65/11/79/562651179.db2.gz SHJJWNZZBFZGIB-NYCWXZCOSA-N 1 0 542.761 5.050 1 0 KKAFRO O=C(CCc1ccccc1)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281237 562653012 /nfs/dbraw/zinc/65/30/12/562653012.db2.gz HMGVPHBFARTUCU-PSXMRANNSA-N 1 0 597.750 7.418 1 0 KKAFRO CN1CN(c2ccccc2)C2(CC[NH+](CCC[C@@]3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccco4)C3)CC2)C1=O ZINC000044305459 562653465 /nfs/dbraw/zinc/65/34/65/562653465.db2.gz WMULPHWGLXROBK-WJOKGBTCSA-N 1 0 595.571 5.921 1 0 KKAFRO COC(=O)CCC[NH2+][C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000044305516 562653483 /nfs/dbraw/zinc/65/34/83/562653483.db2.gz ZOMSEVOHXDVESY-MHZLTWQESA-N 1 0 618.027 5.821 1 0 KKAFRO COc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000044306116 562653615 /nfs/dbraw/zinc/65/36/15/562653615.db2.gz IHWOSWQIPFQQBL-UHFFFAOYSA-N 1 0 561.722 8.801 1 0 KKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 ZINC000044307794 562654086 /nfs/dbraw/zinc/65/40/86/562654086.db2.gz DCJRBHXOVLZTNQ-GXHWNICQSA-N 1 0 580.079 5.261 1 0 KKAFRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc32)ncn1 ZINC000044351241 562654504 /nfs/dbraw/zinc/65/45/04/562654504.db2.gz XVWRWBMMOYPTHB-QGZVFWFLSA-N 1 0 568.604 5.091 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044351385 562654625 /nfs/dbraw/zinc/65/46/25/562654625.db2.gz KJIYUIPYOIACDW-UHFFFAOYSA-N 1 0 594.687 6.391 1 0 KKAFRO CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044352437 562655141 /nfs/dbraw/zinc/65/51/41/562655141.db2.gz UOMLSLXBNUUSBV-DWACAAAGSA-N 1 0 543.674 5.997 1 0 KKAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@H]2CCOC2)CC1 ZINC000044358376 562655339 /nfs/dbraw/zinc/65/53/39/562655339.db2.gz VNZFZQBATSJITB-QFQXNSOFSA-N 1 0 546.539 5.108 1 0 KKAFRO CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCNc1ccnc2cc(Cl)ccc21 ZINC000044360453 562655583 /nfs/dbraw/zinc/65/55/83/562655583.db2.gz UFVLATWPDKBUBF-UHFFFAOYSA-N 1 0 532.916 6.090 1 0 KKAFRO CCCC[C@@H]1C(=O)[C@@H](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388396 562656364 /nfs/dbraw/zinc/65/63/64/562656364.db2.gz KXOYWYHTSWKVEF-VSGBNLITSA-N 1 0 552.804 5.773 1 0 KKAFRO CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044418477 562657274 /nfs/dbraw/zinc/65/72/74/562657274.db2.gz IQJNWNIJNCRMPS-XAGDYJCDSA-N 1 0 571.831 6.835 1 0 KKAFRO CSC1=N[C@@H](N2CC[NH2+]CC2)c2c(nc3c(c2-c2ccc(Cl)cc2)CCCC3=Cc2ccc(Cl)cc2)N1 ZINC000044431674 562657894 /nfs/dbraw/zinc/65/78/94/562657894.db2.gz XCZILXVTMCCRHL-RUQSAVHZSA-N 1 0 550.559 6.790 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000044459902 562657922 /nfs/dbraw/zinc/65/79/22/562657922.db2.gz VTWWRKFUHCSCEW-UHFFFAOYSA-N 1 0 608.690 6.115 3 0 in-vitro KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045166959 562657961 /nfs/dbraw/zinc/65/79/61/562657961.db2.gz HLMMHUFTDWSTBP-VXKWHMMOSA-N 1 0 504.631 5.159 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000045167369 562658003 /nfs/dbraw/zinc/65/80/03/562658003.db2.gz CAFPHRWIBZNVQQ-SOFGYWHQSA-N 1 0 510.509 6.681 1 0 KKAFRO CC(C)c1ccc(NC(=O)N2CCc3ccc(OCC[NH+](C(C)C)C(C)C)cc32)c(Br)c1 ZINC000045167664 562658022 /nfs/dbraw/zinc/65/80/22/562658022.db2.gz VYWOCFLOYLIPNQ-UHFFFAOYSA-N 1 0 502.497 6.665 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045168139 562658107 /nfs/dbraw/zinc/65/81/07/562658107.db2.gz IOPAODNPPCBEKQ-UHFFFAOYSA-N 1 0 508.626 5.972 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCc1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000045188252 562658274 /nfs/dbraw/zinc/65/82/74/562658274.db2.gz BAKDURGNRWNMOZ-UHFFFAOYSA-N 1 0 513.465 6.644 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4cccc(F)c4)CC2)CC3)on1 ZINC000045188298 562658288 /nfs/dbraw/zinc/65/82/88/562658288.db2.gz ONMJMPRLUGZLRV-KPKJPENVSA-N 1 0 501.646 5.968 1 0 KKAFRO O=C(NCC1CCC(C(=O)NCC[NH+]2CCCCC2)CC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045190058 562658477 /nfs/dbraw/zinc/65/84/77/562658477.db2.gz NJOBFCOSKGLBDH-UHFFFAOYSA-N 1 0 532.512 5.504 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000045190504 562658531 /nfs/dbraw/zinc/65/85/31/562658531.db2.gz CIXQCJATVOQZCB-IZZDOVSWSA-N 1 0 504.568 6.173 1 0 KKAFRO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1)c1cc(-c2ccncc2)c(-c2cccc(O)c2)o1 ZINC000045191419 562658550 /nfs/dbraw/zinc/65/85/50/562658550.db2.gz VQBDLCIGFKQZLG-RUZDIDTESA-N 1 0 521.539 6.300 1 0 KKAFRO c1ccc(Oc2ccc(Nc3ccnc4cc(-c5cccc(C[NH2+]CCN6CCOCC6)c5)ccc43)cc2)cc1 ZINC000045191604 562658594 /nfs/dbraw/zinc/65/85/94/562658594.db2.gz CLMVRHXRRGUUOG-UHFFFAOYSA-N 1 0 530.672 6.860 1 0 KKAFRO CC(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000045192754 562658648 /nfs/dbraw/zinc/65/86/48/562658648.db2.gz JHFJJZGSSWVLPV-DEZWEULXSA-N 1 0 531.528 6.313 1 0 KKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)s3)nc2c1 ZINC000045193131 562658681 /nfs/dbraw/zinc/65/86/81/562658681.db2.gz OZUMGQMUGXLLGC-UHFFFAOYSA-N 1 0 520.584 6.089 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000045194205 562658743 /nfs/dbraw/zinc/65/87/43/562658743.db2.gz QMTHJWZCYYBKPO-UHFFFAOYSA-N 1 0 517.113 6.981 1 0 KKAFRO COc1ccc(NC(=O)C2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045194007 562658766 /nfs/dbraw/zinc/65/87/66/562658766.db2.gz RHCNDHWXOYXNSV-WUXMJOGZSA-N 1 0 518.485 5.652 1 0 KKAFRO C[N@H+](CCCCNC(=O)/C=C/c1ccccc1)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045194660 562658817 /nfs/dbraw/zinc/65/88/17/562658817.db2.gz RGKGGKGWUIXRDX-XEKAQFCISA-N 1 0 517.714 5.942 1 0 KKAFRO C[N@H+](CCCCNC(=O)/C=C/c1ccccc1)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045194663 562658824 /nfs/dbraw/zinc/65/88/24/562658824.db2.gz RGKGGKGWUIXRDX-JPGMGBJISA-N 1 0 517.714 5.942 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](c2c[nH]c3ccccc32)[C@@H](O)C1 ZINC000045202498 562659177 /nfs/dbraw/zinc/65/91/77/562659177.db2.gz KXZLPSIOZXQKOP-KBEUEFIVSA-N 1 0 500.470 5.625 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202694 562659236 /nfs/dbraw/zinc/65/92/36/562659236.db2.gz ZLIFTQKDHKJGPZ-NTEUORMPSA-N 1 0 509.616 6.755 1 0 KKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Br)cc1 ZINC000045226589 562659362 /nfs/dbraw/zinc/65/93/62/562659362.db2.gz UFDAUKUUJOMXCP-UHFFFAOYSA-N 1 0 512.879 6.063 1 0 KKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045230306 562659619 /nfs/dbraw/zinc/65/96/19/562659619.db2.gz KOTJIIGMCRDILH-UHFFFAOYSA-N 1 0 519.645 6.043 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCC3)CC1 ZINC000045245398 562659745 /nfs/dbraw/zinc/65/97/45/562659745.db2.gz XKKMOBCBRNUZGS-UHFFFAOYSA-N 1 0 510.682 5.463 1 0 KKAFRO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3cc[nH+]cc3)CC2)c1 ZINC000045302310 562660573 /nfs/dbraw/zinc/66/05/73/562660573.db2.gz XMGUPSKDFHGNEE-UHFFFAOYSA-N 1 0 515.702 6.279 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc1)CC2 ZINC000045302710 562660630 /nfs/dbraw/zinc/66/06/30/562660630.db2.gz UGZCENGMQDZDFY-XMMPIXPASA-N 1 0 522.571 5.613 1 0 KKAFRO Cc1[nH]c2ccc(O)cc2c1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045302752 562660659 /nfs/dbraw/zinc/66/06/59/562660659.db2.gz ZWAWPSQPJFPLRZ-XVNBXDOJSA-N 1 0 526.508 6.620 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(CNC(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000045302588 562660708 /nfs/dbraw/zinc/66/07/08/562660708.db2.gz SDMSMUDIMZLYGQ-UHFFFAOYSA-N 1 0 526.464 5.512 1 0 KKAFRO O=C1O[C@@](c2ccccc2)(c2ccccn2)CN1C1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302963 562660741 /nfs/dbraw/zinc/66/07/41/562660741.db2.gz VNQUMICVOTUFIM-PMERELPUSA-N 1 0 513.041 5.886 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cc(C[NH2+]CCc3ccccc3)oc2-c2ccncc2)c1 ZINC000045303137 562660765 /nfs/dbraw/zinc/66/07/65/562660765.db2.gz NDQPEWCVNMVJPR-UHFFFAOYSA-N 1 0 523.036 7.638 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC000045322487 562661116 /nfs/dbraw/zinc/66/11/16/562661116.db2.gz RDFIGGYSNSLILV-QOEJBESESA-N 1 0 514.453 5.678 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@@H+]2CC[C@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045323100 562661130 /nfs/dbraw/zinc/66/11/30/562661130.db2.gz FTLGKSKBYORBFI-YUZVDCSRSA-N 1 0 512.481 5.577 1 0 KKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045324483 562661234 /nfs/dbraw/zinc/66/12/34/562661234.db2.gz LEXBDJNYZBKPHH-UHFFFAOYSA-N 1 0 508.666 7.084 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3cc(-c4ccc(Cl)cc4)[nH]c3C)CC2)ccc2c1CCCC2 ZINC000045334760 562661295 /nfs/dbraw/zinc/66/12/95/562661295.db2.gz FHECBIJPIDWZSK-UHFFFAOYSA-N 1 0 534.144 6.921 1 0 KKAFRO CC(C)(C)CC[NH+]1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336855 562661414 /nfs/dbraw/zinc/66/14/14/562661414.db2.gz HAXRXMINOCSQGA-IDISGSTGSA-N 1 0 522.992 7.658 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1cccc(Oc3ccccc3)c1)CC2 ZINC000045340185 562661592 /nfs/dbraw/zinc/66/15/92/562661592.db2.gz SSTLFVIKGGGGDX-PMERELPUSA-N 1 0 531.741 5.954 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCC[NH+]3CCCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045372684 562662259 /nfs/dbraw/zinc/66/22/59/562662259.db2.gz GFLFHROFABIEBB-UHFFFAOYSA-N 1 0 529.681 5.759 1 0 KKAFRO Cc1cc2nc(N3CCCC[C@H]3C[NH+](C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384722 562662310 /nfs/dbraw/zinc/66/23/10/562662310.db2.gz LKPKWKNXRZOSEF-DEOSSOPVSA-N 1 0 532.773 6.757 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045385780 562662350 /nfs/dbraw/zinc/66/23/50/562662350.db2.gz OGQZOXPQWNPAQU-UHFFFAOYSA-N 1 0 529.681 5.759 1 0 KKAFRO COc1cc(O)cc(/C=C/C=C/C(=O)NCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045391158 562662549 /nfs/dbraw/zinc/66/25/49/562662549.db2.gz LLWQMUABCICAJZ-BPNXTJCCSA-N 1 0 512.650 5.357 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000048307333 562662924 /nfs/dbraw/zinc/66/29/24/562662924.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 1 0 546.202 6.547 1 0 KKAFRO Cc1cc2[nH]c(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)s3)nc2cc1Cl ZINC000048307306 562662918 /nfs/dbraw/zinc/66/29/18/562662918.db2.gz BJUIFCWJLWFBGQ-UHFFFAOYSA-N 1 0 528.509 5.849 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000048307302 562662965 /nfs/dbraw/zinc/66/29/65/562662965.db2.gz BXUUZIADYSJDFA-FAKWYAOSSA-N 1 0 585.498 6.846 1 0 KKAFRO COc1ccccc1C1CC[NH+](CCCCNC(=O)c2ccc(/C=C/c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000048307362 562663029 /nfs/dbraw/zinc/66/30/29/562663029.db2.gz BGFRFVVCCYIKFC-CMDGGOBGSA-N 1 0 537.531 7.562 1 0 KKAFRO CCC(=O)c1ccc(-c2ccc(=O)n(CC(=O)N(CC[NH+](CC)CC)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)n2)cc1 ZINC000048307398 562663055 /nfs/dbraw/zinc/66/30/55/562663055.db2.gz ALNBEDCNGFMPHC-UHFFFAOYSA-N 1 0 618.700 6.559 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)cc1N1CC[NH+](C)CC1 ZINC000048307371 562663070 /nfs/dbraw/zinc/66/30/70/562663070.db2.gz BOSPYOKOZDHVKW-UHFFFAOYSA-N 1 0 552.622 6.509 1 0 KKAFRO CNC(=O)c1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000048308934 562663191 /nfs/dbraw/zinc/66/31/91/562663191.db2.gz RDWLSSVDSMODMR-XVNBXDOJSA-N 1 0 553.534 5.966 1 0 KKAFRO CCC[C@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016925 562663268 /nfs/dbraw/zinc/66/32/68/562663268.db2.gz XRWCFFSMTYOSBA-HHHXNRCGSA-N 1 0 509.735 5.944 1 0 KKAFRO CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049034129 562663466 /nfs/dbraw/zinc/66/34/66/562663466.db2.gz UCDXFDZZQRBDBU-NDEPHWFRSA-N 1 0 523.762 6.334 1 0 KKAFRO O=S(=O)(Nc1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000049052839 562663842 /nfs/dbraw/zinc/66/38/42/562663842.db2.gz NSCPFOBOWIVCSE-UHFFFAOYSA-N 1 0 521.527 5.590 1 0 KKAFRO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072417 562664191 /nfs/dbraw/zinc/66/41/91/562664191.db2.gz ZHTRZMVAQXYXBW-KECVVUEUSA-N 1 0 501.424 5.854 1 0 KKAFRO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(C[NH+]5CCCC5)cc4)cc32)cc1 ZINC000049088159 562664348 /nfs/dbraw/zinc/66/43/48/562664348.db2.gz DHBOCWJFJJEPCN-UHFFFAOYSA-N 1 0 533.680 6.518 1 0 KKAFRO [NH2+]=C1Nc2ccc3cc2CN1[C@@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3 ZINC000049088916 562664415 /nfs/dbraw/zinc/66/44/15/562664415.db2.gz YRZGWNOJFXJXID-WJOKGBTCSA-N 1 0 528.741 7.077 1 0 KKAFRO CC(C)[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000049604954 562665117 /nfs/dbraw/zinc/66/51/17/562665117.db2.gz LNLRTCHOFHKJKW-DHUJRADRSA-N 1 0 576.785 7.185 1 0 KKAFRO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604963 562665125 /nfs/dbraw/zinc/66/51/25/562665125.db2.gz NXZZWVSDLWWOMB-LEWJYISDSA-N 1 0 553.481 5.948 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CC[C@@H](NC(=O)Cc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049604989 562665153 /nfs/dbraw/zinc/66/51/53/562665153.db2.gz NMPGHMNIEPZGQE-MUUNZHRXSA-N 1 0 553.534 6.378 1 0 KKAFRO CC(=O)c1ccc(N2CC[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)COCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000049605022 562665202 /nfs/dbraw/zinc/66/52/02/562665202.db2.gz ORFLLYVBWQYOCA-WJOKGBTCSA-N 1 0 566.529 5.776 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049605025 562665208 /nfs/dbraw/zinc/66/52/08/562665208.db2.gz LTFZIGWTCPMTAW-PGUFJCEWSA-N 1 0 654.635 7.149 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049605015 562665248 /nfs/dbraw/zinc/66/52/48/562665248.db2.gz KONUAVKDAYQFTN-UHFFFAOYSA-N 1 0 560.138 6.566 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@H](CC[NH+]3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)C[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049605110 562665327 /nfs/dbraw/zinc/66/53/27/562665327.db2.gz NIKPWVVWKGURQG-LEAFIULHSA-N 1 0 730.755 6.686 1 0 KKAFRO O=c1cc(NCC[C@H](CNCc2ccoc2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605184 562665426 /nfs/dbraw/zinc/66/54/26/562665426.db2.gz QHBVPWFGGHOXDI-OAQYLSRUSA-N 1 0 574.317 5.396 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCC3)CCO2)CC1 ZINC000049605177 562665447 /nfs/dbraw/zinc/66/54/47/562665447.db2.gz REQMUYNNDGAIKX-HKBQPEDESA-N 1 0 557.562 6.251 1 0 KKAFRO CC(C)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(CCC[NH+]3CCCCC3)cc21 ZINC000049605205 562665523 /nfs/dbraw/zinc/66/55/23/562665523.db2.gz UTHWDWZWJGROER-UHFFFAOYSA-N 1 0 743.861 9.606 1 0 KKAFRO O=C(COc1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049605208 562665531 /nfs/dbraw/zinc/66/55/31/562665531.db2.gz QMOYZQKOHFPPSJ-UHFFFAOYSA-N 1 0 576.352 6.205 1 0 KKAFRO CC(=O)Oc1c2ccccc2ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049605360 562665770 /nfs/dbraw/zinc/66/57/70/562665770.db2.gz MSLLAXRWTKJIBK-UHFFFAOYSA-N 1 0 598.143 7.060 1 0 KKAFRO COc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc3cc(C(=O)NCC[NH+]4CCCC4)cnc32)cc1Cl ZINC000049605432 562665838 /nfs/dbraw/zinc/66/58/38/562665838.db2.gz UHZICCREFBXCDA-UHFFFAOYSA-N 1 0 573.019 5.730 1 0 KKAFRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)o1)c1ccccc1 ZINC000049605476 562665905 /nfs/dbraw/zinc/66/59/05/562665905.db2.gz ZCBVZHNAVGSWGM-LJAQVGFWSA-N 1 0 545.643 6.685 1 0 KKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049605659 562666151 /nfs/dbraw/zinc/66/61/51/562666151.db2.gz ZSYUYCGOXXOFOB-FTJBHMTQSA-N 1 0 548.609 5.977 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)[NH+](C)[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625763 562666855 /nfs/dbraw/zinc/66/68/55/562666855.db2.gz DUQMUJILNSLNGH-NHCUHLMSSA-N 1 0 535.648 6.548 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(CC[NH+]1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049625998 562666960 /nfs/dbraw/zinc/66/69/60/562666960.db2.gz ULACVBOQGBGRGZ-UHFFFAOYSA-N 1 0 674.714 7.270 1 0 KKAFRO O=C(NCc1ccccc1)c1nn(CCCN2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049626298 562667117 /nfs/dbraw/zinc/66/71/17/562667117.db2.gz VCIVOTONEYZDPN-UHFFFAOYSA-N 1 0 540.539 5.737 1 0 KKAFRO CC(C)(C)[NH2+]CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1CCc1cccc(F)c1F)CCC2 ZINC000049626521 562667229 /nfs/dbraw/zinc/66/72/29/562667229.db2.gz XKSZSWYKRXYCOM-UHFFFAOYSA-N 1 0 666.735 6.898 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)c(C)c1CCc1cccc(F)c1F ZINC000049626489 562667233 /nfs/dbraw/zinc/66/72/33/562667233.db2.gz BNYXBJDQBFNQBR-UHFFFAOYSA-N 1 0 689.769 8.430 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626696 562667335 /nfs/dbraw/zinc/66/73/35/562667335.db2.gz HARNRRIHMFGUGB-UHFFFAOYSA-N 1 0 701.780 8.652 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[N@@H+]3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626823 562667397 /nfs/dbraw/zinc/66/73/97/562667397.db2.gz VKBOHUOLSFEMDO-UMSFTDKQSA-N 1 0 638.592 6.327 1 0 KKAFRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639159 562667636 /nfs/dbraw/zinc/66/76/36/562667636.db2.gz RRZNSSADTPDARM-PKTZIBPZSA-N 1 0 535.491 5.809 1 0 KKAFRO COc1ccc([C@H](CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677761 562668337 /nfs/dbraw/zinc/66/83/37/562668337.db2.gz XWEJKOCDJCMFCN-YWEHKCAJSA-N 1 0 674.845 5.354 1 0 KKAFRO COC(=O)[C@@H](C)CCCCCC[C@@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049678401 562668499 /nfs/dbraw/zinc/66/84/99/562668499.db2.gz IJADPUQVQVKFSF-GCSXTMRMSA-N 1 0 537.785 7.236 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[NH+]3CCC(c4c(C)[nH]c5ccccc54)CC3)c(=O)n3c2CCCC3)cc1 ZINC000049678319 562668512 /nfs/dbraw/zinc/66/85/12/562668512.db2.gz CLLQOTWRFMQDGX-UHFFFAOYSA-N 1 0 540.708 5.471 1 0 KKAFRO CCc1c(C(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000049680272 562669128 /nfs/dbraw/zinc/66/91/28/562669128.db2.gz IBNHPFJFQUFNTI-UHFFFAOYSA-N 1 0 654.686 9.628 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCCN(C(=O)OCc2ccccc2)C1 ZINC000049694386 562669286 /nfs/dbraw/zinc/66/92/86/562669286.db2.gz AYXDUHYECACATH-UKAHRKLESA-N 1 0 607.742 5.588 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCCN(C(=O)OCc2ccccc2)C1 ZINC000049694385 562669288 /nfs/dbraw/zinc/66/92/88/562669288.db2.gz AYXDUHYECACATH-GTXBZULCSA-N 1 0 607.742 5.588 1 0 KKAFRO CC(=O)N(C)C1CC[NH+](CC[C@@](C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049694408 562669342 /nfs/dbraw/zinc/66/93/42/562669342.db2.gz JMEKLKBPAWJBOV-HHHXNRCGSA-N 1 0 590.489 6.400 1 0 KKAFRO FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1Cc1ccccc1)c2N1CC[NH+](C2CCCCC2)CC1 ZINC000049694636 562669602 /nfs/dbraw/zinc/66/96/02/562669602.db2.gz RWXVYCAUKCECQA-UHFFFAOYSA-N 1 0 552.670 6.304 1 0 KKAFRO Cc1ccc(C(OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000049694850 562669852 /nfs/dbraw/zinc/66/98/52/562669852.db2.gz QKABGOLJDASWHS-LQFQNGICSA-N 1 0 596.812 5.733 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccccc5F)c5n(c4=O)CCCC5)CC3)c2c1 ZINC000049695406 562670481 /nfs/dbraw/zinc/67/04/81/562670481.db2.gz UYDULJVRODAVOJ-UHFFFAOYSA-N 1 0 544.671 5.302 1 0 KKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)N2CCN(c3ccccc3)C2=O)cc1F ZINC000049695422 562670570 /nfs/dbraw/zinc/67/05/70/562670570.db2.gz HZAXAFBDACOIJN-UHFFFAOYSA-N 1 0 599.663 6.370 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)c(F)c1 ZINC000049710590 562671719 /nfs/dbraw/zinc/67/17/19/562671719.db2.gz IJDVSSJBVDNPSE-UHFFFAOYSA-N 1 0 676.730 7.516 1 0 KKAFRO CCOc1ccc(C(=O)N2CCO[C@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049710865 562671862 /nfs/dbraw/zinc/67/18/62/562671862.db2.gz RARSKXGKOSZRBG-UMSFTDKQSA-N 1 0 593.595 7.130 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710919 562671888 /nfs/dbraw/zinc/67/18/88/562671888.db2.gz WZXINJTXKIEZPD-ILWGZMRPSA-N 1 0 572.364 6.586 1 0 KKAFRO CC(=O)c1cccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000049711016 562671944 /nfs/dbraw/zinc/67/19/44/562671944.db2.gz SOFQPGIXSZJAAF-PKNBQFBNSA-N 1 0 545.511 5.782 1 0 KKAFRO CN(Cc1ccccc1)C(=O)c1nn(CCCN2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049711259 562672007 /nfs/dbraw/zinc/67/20/07/562672007.db2.gz URELRJZGFLTICO-UHFFFAOYSA-N 1 0 554.566 6.079 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049711225 562672037 /nfs/dbraw/zinc/67/20/37/562672037.db2.gz VJIJTHLXSGTWCS-ZOXUKVPXSA-N 1 0 593.020 7.303 1 0 KKAFRO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722556 562672168 /nfs/dbraw/zinc/67/21/68/562672168.db2.gz ZTGKKBRUYNYCNY-IPMKNSEASA-N 1 0 572.364 6.586 1 0 KKAFRO C[N@H+](CC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000049722588 562672227 /nfs/dbraw/zinc/67/22/27/562672227.db2.gz VNCKVEBEPMJERG-RQZCQDPDSA-N 1 0 538.563 7.821 1 0 KKAFRO CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049722632 562672257 /nfs/dbraw/zinc/67/22/57/562672257.db2.gz FBYJXPYJJZCAHS-IOWSJCHKSA-N 1 0 660.803 5.683 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049722597 562672295 /nfs/dbraw/zinc/67/22/95/562672295.db2.gz QBCBCLXHVIYSNK-NQVJXQQZSA-N 1 0 644.728 5.594 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000049722771 562672525 /nfs/dbraw/zinc/67/25/25/562672525.db2.gz XBHLFXWGIMCKOQ-XVNBXDOJSA-N 1 0 568.549 6.350 1 0 KKAFRO COc1cc(OC[C@@H]2CCC[N@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049722905 562672676 /nfs/dbraw/zinc/67/26/76/562672676.db2.gz QGWMDCQQTSZJSY-LJQANCHMSA-N 1 0 575.135 5.033 1 0 KKAFRO CN(c1ccc2c(c1)[nH+]c(Nc1ccc(Cl)cc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000049722979 562672777 /nfs/dbraw/zinc/67/27/77/562672777.db2.gz YBQZMWGBFSNDPL-UHFFFAOYSA-N 1 0 548.072 5.816 1 0 KKAFRO CCc1cn(CCS(C)(=O)=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc12 ZINC000049723017 562672822 /nfs/dbraw/zinc/67/28/22/562672822.db2.gz ZBEACLJITLXSLG-IGYGKHONSA-N 1 0 583.839 5.145 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(CCC[N@H+](C)Cc4ccc(OC)c(OC)c4)cc3)c3ccccc3n2)cc1 ZINC000049723081 562672935 /nfs/dbraw/zinc/67/29/35/562672935.db2.gz PMWXQXGZYIYGGC-UHFFFAOYSA-N 1 0 575.709 7.245 1 0 KKAFRO CC[N@H+](CC[C@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCO1)[C@@H]1C[C@H]2c3ccccc3C[C@@H]21 ZINC000049723149 562673032 /nfs/dbraw/zinc/67/30/32/562673032.db2.gz KSSAHRFJMYPTHU-GGCFOSDTSA-N 1 0 639.620 6.828 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCC[C@H]3CCC[N@@H+]3C)nc21 ZINC000049723234 562673107 /nfs/dbraw/zinc/67/31/07/562673107.db2.gz UOYQTZDZPSCJOI-QGZVFWFLSA-N 1 0 574.558 5.868 1 0 KKAFRO COc1ccc(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000049723262 562673145 /nfs/dbraw/zinc/67/31/45/562673145.db2.gz WRERHOVISNDAOC-UHFFFAOYSA-N 1 0 553.732 5.513 1 0 KKAFRO FC(F)(F)c1ccccc1OCc1cc(C2=CC[NH2+]CC2)c(COc2ccccc2C(F)(F)F)cc1-c1ccncc1 ZINC000049723294 562673196 /nfs/dbraw/zinc/67/31/96/562673196.db2.gz DHXOQGGBFIRBJG-UHFFFAOYSA-N 1 0 584.560 8.321 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)ccc1=O ZINC000049723296 562673217 /nfs/dbraw/zinc/67/32/17/562673217.db2.gz YSCMBHZPPNZKFQ-UHFFFAOYSA-N 1 0 630.633 6.986 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744870 562673520 /nfs/dbraw/zinc/67/35/20/562673520.db2.gz LQKSVBWVXREMMV-ZCNNSNEGSA-N 1 0 555.909 6.072 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744873 562673569 /nfs/dbraw/zinc/67/35/69/562673569.db2.gz LQKSVBWVXREMMV-SLFFLAALSA-N 1 0 555.909 6.072 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744991 562673597 /nfs/dbraw/zinc/67/35/97/562673597.db2.gz DVIHZVCGTLUNKJ-MSEJLTFDSA-N 1 0 619.766 5.167 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744993 562673615 /nfs/dbraw/zinc/67/36/15/562673615.db2.gz DVIHZVCGTLUNKJ-JUKUECOXSA-N 1 0 619.766 5.167 1 0 KKAFRO C[NH2+]CCCN(C)C(=O)Oc1c(Br)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049745508 562673900 /nfs/dbraw/zinc/67/39/00/562673900.db2.gz XQWLAAMKJITTFG-UHFFFAOYSA-N 1 0 582.417 6.859 1 0 KKAFRO Cc1cc(CNC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)oc1C ZINC000049745701 562673992 /nfs/dbraw/zinc/67/39/92/562673992.db2.gz RSQLXGHJDNEGTM-QFIPXVFZSA-N 1 0 602.371 6.013 1 0 KKAFRO Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000049745703 562674030 /nfs/dbraw/zinc/67/40/30/562674030.db2.gz ICZJRPNFYSRRMY-UHFFFAOYSA-N 1 0 570.995 7.991 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049746731 562674580 /nfs/dbraw/zinc/67/45/80/562674580.db2.gz OFVABPOBOTZHPP-VZUCSPMQSA-N 1 0 571.471 6.598 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756118 562674856 /nfs/dbraw/zinc/67/48/56/562674856.db2.gz OHKVKGLOZBILIN-ZCNNSNEGSA-N 1 0 589.461 6.437 1 0 KKAFRO CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCCC[NH+](C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000049756294 562674962 /nfs/dbraw/zinc/67/49/62/562674962.db2.gz ASAVXCCDHLMPRX-GMTSZFNJSA-N 1 0 521.657 6.992 1 0 KKAFRO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756745 562675219 /nfs/dbraw/zinc/67/52/19/562675219.db2.gz QEMGEAVSFHMSAA-JIYROHSKSA-N 1 0 594.152 5.332 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000049757144 562675604 /nfs/dbraw/zinc/67/56/04/562675604.db2.gz SRNHAKVSFVSSPN-UHFFFAOYSA-N 1 0 575.138 6.328 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049757284 562675840 /nfs/dbraw/zinc/67/58/40/562675840.db2.gz CVMUHXWSBHMVGZ-UHFFFAOYSA-N 1 0 541.677 5.724 1 0 KKAFRO [NH3+][C@H](CNc1nc(Cl)nc(NCCNc2cnc3cc(Cl)ccc3c2)n1)c1ccnc2cc(Cl)ccc21 ZINC000049757286 562675858 /nfs/dbraw/zinc/67/58/58/562675858.db2.gz OMTGHNWQOFVZOS-HXUWFJFHSA-N 1 0 554.873 5.564 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000049757502 562676059 /nfs/dbraw/zinc/67/60/59/562676059.db2.gz SSHDKAJDJAVHAF-UHFFFAOYSA-N 1 0 554.720 5.983 1 0 KKAFRO [NH2+]=C(Cc1c(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO ZINC000049767334 562677550 /nfs/dbraw/zinc/67/75/50/562677550.db2.gz QAYRJOVPQAZMNJ-UHFFFAOYSA-N 1 0 582.463 5.608 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[NH+]3CCCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767743 562677715 /nfs/dbraw/zinc/67/77/15/562677715.db2.gz AORJBFRKPXUYEX-UHFFFAOYSA-N 1 0 543.708 6.149 1 0 KKAFRO NC(=[NH2+])Cc1c(C(=O)N2CCC(c3ncccn3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049771276 562678078 /nfs/dbraw/zinc/67/80/78/562678078.db2.gz OJDSJFYANNFHJF-UHFFFAOYSA-N 1 0 534.451 5.134 1 0 KKAFRO CC[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777365 562679967 /nfs/dbraw/zinc/67/99/67/562679967.db2.gz ICNXLCSJEDSWTK-CLJLJLNGSA-N 1 0 593.775 5.297 1 0 KKAFRO Cc1nc2cc(C[C@H](C)C[N@@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2o1 ZINC000049777423 562679999 /nfs/dbraw/zinc/67/99/99/562679999.db2.gz ORWKFKYYOVHTJR-FOEQRGQYSA-N 1 0 550.694 5.680 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5ccoc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777496 562680085 /nfs/dbraw/zinc/68/00/85/562680085.db2.gz DWAKMFFRASTKTH-HKBQPEDESA-N 1 0 612.840 6.171 1 0 KKAFRO CC(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCCC3=O)C2)c1 ZINC000049777770 562680517 /nfs/dbraw/zinc/68/05/17/562680517.db2.gz MFPZDLDVZIAMTN-ZLESDFJESA-N 1 0 561.811 5.586 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3nccc4-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3F)cn2)CC1 ZINC000049777801 562680549 /nfs/dbraw/zinc/68/05/49/562680549.db2.gz PIGVLAUTQMIRBH-UHFFFAOYSA-N 1 0 575.570 5.620 1 0 KKAFRO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C[C@H]2CCC[NH2+]2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049777899 562680654 /nfs/dbraw/zinc/68/06/54/562680654.db2.gz HDCXGXDRQPWEAJ-TZIWHRDSSA-N 1 0 597.613 5.222 1 0 KKAFRO COc1ccc(OCc2ccccn2)c(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000049778071 562680861 /nfs/dbraw/zinc/68/08/61/562680861.db2.gz ZJRJXPBIIUBOJX-UHFFFAOYSA-N 1 0 627.185 6.965 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000049780158 562681400 /nfs/dbraw/zinc/68/14/00/562681400.db2.gz ZHRKDWCBKIOLKI-WOFUPGFCSA-N 1 0 702.856 5.663 1 0 in-vivo KKAFRO Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCN4CC[NH+](C)CC4)ncn3)c2)c1 ZINC000049780460 562681758 /nfs/dbraw/zinc/68/17/58/562681758.db2.gz BLOGCIUNNJYXBR-UHFFFAOYSA-N 1 0 575.721 5.088 1 0 KKAFRO CC(C)C[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049780456 562681770 /nfs/dbraw/zinc/68/17/70/562681770.db2.gz INGULWRLHYWXJR-NSOVKSMOSA-N 1 0 621.829 5.933 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)c1 ZINC000049780520 562681853 /nfs/dbraw/zinc/68/18/53/562681853.db2.gz WPTWZXCEIGAYME-UHFFFAOYSA-N 1 0 552.600 8.477 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=C(C)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780765 562682258 /nfs/dbraw/zinc/68/22/58/562682258.db2.gz BADHBCVHOLJGHU-QNGWXLTQSA-N 1 0 639.878 6.264 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781110 562682684 /nfs/dbraw/zinc/68/26/84/562682684.db2.gz FLBRXCIMTTVIKZ-SANMLTNESA-N 1 0 618.045 7.464 1 0 KKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+]([C@@H](Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781312 562682932 /nfs/dbraw/zinc/68/29/32/562682932.db2.gz ZQRFTSWTVBQPMZ-IUKTVIPNSA-N 1 0 545.727 8.144 1 0 KKAFRO COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781407 562683040 /nfs/dbraw/zinc/68/30/40/562683040.db2.gz PQAFUDFHGAKJHZ-AREMUKBSSA-N 1 0 666.517 8.508 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=C(c3ccccc3)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049783630 562683143 /nfs/dbraw/zinc/68/31/43/562683143.db2.gz QAUHOCBYVZPIDF-WBCKFURZSA-N 1 0 701.949 7.402 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4cccc5c(OC)cc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049783850 562683255 /nfs/dbraw/zinc/68/32/55/562683255.db2.gz PIUQVNKFONMZAS-UHFFFAOYSA-N 1 0 551.613 5.610 1 0 KKAFRO COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CC[NH+]5CCCC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049784650 562683678 /nfs/dbraw/zinc/68/36/78/562683678.db2.gz WGJCAXDRPIQKGH-UHFFFAOYSA-N 1 0 653.788 5.016 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784678 562683721 /nfs/dbraw/zinc/68/37/21/562683721.db2.gz UQVFTNDFYQGPRP-QNGWXLTQSA-N 1 0 639.878 6.264 1 0 in-vivo KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784942 562683849 /nfs/dbraw/zinc/68/38/49/562683849.db2.gz KRXRRXMBTCTFSD-PSXMRANNSA-N 1 0 625.851 5.874 1 0 KKAFRO CN(C(=O)Nc1ccc(-c2cnc3c(-c4ccc(N5CC[NH+](C)CC5)cc4)cnn3c2N)cc1)C1CCCCC1 ZINC000049792679 562684433 /nfs/dbraw/zinc/68/44/33/562684433.db2.gz YLLYKQYSOWECSZ-UHFFFAOYSA-N 1 0 538.700 5.194 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[N@@H+]5CCCC[C@@H]5C)c(OC)cc43)ccc2s1 ZINC000049803168 562686099 /nfs/dbraw/zinc/68/60/99/562686099.db2.gz GZZGWFBVDBGCQH-IBGZPJMESA-N 1 0 534.682 6.417 1 0 KKAFRO CCCC[PH](CCCC)(CCCC)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)C[NH3+])cc1 ZINC000049808538 562686664 /nfs/dbraw/zinc/68/66/64/562686664.db2.gz KPVRCOONGRNIPT-LJAQVGFWSA-N 1 0 525.718 6.188 1 0 KKAFRO CN(C)C(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049823287 562687189 /nfs/dbraw/zinc/68/71/89/562687189.db2.gz FKIRVEJKZMAERK-UHFFFAOYSA-N 1 0 679.833 5.722 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)(C)C)c2)CC1 ZINC000049832821 562687236 /nfs/dbraw/zinc/68/72/36/562687236.db2.gz CKFIKNDXVHLVTD-UUWRZZSWSA-N 1 0 652.923 5.869 1 0 KKAFRO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC([NH+]2CCC(n3c(=O)[nH]c4c3cccc4F)CC2)CC1 ZINC000049872502 562690096 /nfs/dbraw/zinc/69/00/96/562690096.db2.gz GVLDTEKPXVTOGI-UHFFFAOYSA-N 1 0 537.583 5.414 1 0 KKAFRO O=C(/C=C/c1ccc(Sc2cccc(NC3CC[NH2+]CC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049878154 562690455 /nfs/dbraw/zinc/69/04/55/562690455.db2.gz BAHKPHNZYOKPQK-FNORWQNLSA-N 1 0 559.576 5.911 1 0 KKAFRO O=C1C[C@](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000049881609 562690954 /nfs/dbraw/zinc/69/09/54/562690954.db2.gz FBZOHKINQDHYRF-HKBQPEDESA-N 1 0 577.556 5.482 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049898415 562692530 /nfs/dbraw/zinc/69/25/30/562692530.db2.gz LLLMQELQQHOHOI-UHFFFAOYSA-N 1 0 667.295 5.276 1 0 KKAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1OC ZINC000049898465 562692551 /nfs/dbraw/zinc/69/25/51/562692551.db2.gz WPANYLJDWCLOMB-PMERELPUSA-N 1 0 652.898 6.788 1 0 KKAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1OC ZINC000049898464 562692562 /nfs/dbraw/zinc/69/25/62/562692562.db2.gz WPANYLJDWCLOMB-SSEXGKCCSA-N 1 0 652.898 6.788 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049898458 562692569 /nfs/dbraw/zinc/69/25/69/562692569.db2.gz QODRQOSQUODVHZ-ZEQKJWHPSA-N 1 0 631.582 5.428 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccc(-c4ccccc4)cc3)Cc3ccc(-c4ccccc4)cc3)cc2)cc1-c1ccccc1 ZINC000049898886 562692981 /nfs/dbraw/zinc/69/29/81/562692981.db2.gz RYRATSQAHGDCLT-UHFFFAOYSA-N 1 0 720.921 10.042 1 0 KKAFRO COC(=O)CCC[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049899532 562693205 /nfs/dbraw/zinc/69/32/05/562693205.db2.gz FRLGCDYZXBVROR-SANMLTNESA-N 1 0 645.625 5.623 1 0 KKAFRO Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(N3CCC[NH2+]CC3)n2)cc1 ZINC000049908063 562693449 /nfs/dbraw/zinc/69/34/49/562693449.db2.gz JZPBAGTYHZUXNI-UHFFFAOYSA-N 1 0 563.628 5.329 1 0 KKAFRO O=C(c1ccc(F)c(F)c1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049908067 562693479 /nfs/dbraw/zinc/69/34/79/562693479.db2.gz HRHBIBJJCOSFBP-PMERELPUSA-N 1 0 559.484 6.909 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(C)cc1OCCO[C@H]1CCCCO1 ZINC000049917667 562693736 /nfs/dbraw/zinc/69/37/36/562693736.db2.gz HXGRRVRFCMSWCW-BHVANESWSA-N 1 0 652.798 8.301 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049917677 562693745 /nfs/dbraw/zinc/69/37/45/562693745.db2.gz GIKLCTHPHBHVBT-WEVVVXLNSA-N 1 0 605.916 7.251 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049917733 562693792 /nfs/dbraw/zinc/69/37/92/562693792.db2.gz DWBLHACNFWYUBD-XIFFEERXSA-N 1 0 600.631 6.926 1 0 KKAFRO O=C(Cc1ccccc1)N[C@H](CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049917806 562693932 /nfs/dbraw/zinc/69/39/32/562693932.db2.gz HFCMAYCVLYRNFC-AREMUKBSSA-N 1 0 565.463 6.786 1 0 KKAFRO C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000049917860 562694008 /nfs/dbraw/zinc/69/40/08/562694008.db2.gz GRBGQMNUHSAYID-OYRHEFFESA-N 1 0 577.655 5.716 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917959 562694167 /nfs/dbraw/zinc/69/41/67/562694167.db2.gz AGLUKBSNZHMNNX-SLFFLAALSA-N 1 0 572.364 6.586 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OC(C)C ZINC000049918031 562694349 /nfs/dbraw/zinc/69/43/49/562694349.db2.gz LVABXVITTGKHBS-UHFFFAOYSA-N 1 0 576.181 7.386 1 0 KKAFRO COc1ccccc1/C=C/C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918137 562694490 /nfs/dbraw/zinc/69/44/90/562694490.db2.gz NHHJTCJKODJCQG-IFQMDVHZSA-N 1 0 572.577 6.233 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCOc2ccc4c(c2)CCN4C(=O)/C=C/c2ccccc2Cl)CC3)no1 ZINC000049918138 562694509 /nfs/dbraw/zinc/69/45/09/562694509.db2.gz PSVWHGVPZGXPSJ-FMIVXFBMSA-N 1 0 568.117 6.776 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)s3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918120 562694516 /nfs/dbraw/zinc/69/45/16/562694516.db2.gz PQMBOZXOHCFYEH-UHFFFAOYSA-N 1 0 694.770 7.720 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918171 562694546 /nfs/dbraw/zinc/69/45/46/562694546.db2.gz ZEYBBWQWHRXRPF-UHFFFAOYSA-N 1 0 678.702 7.252 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049918168 562694582 /nfs/dbraw/zinc/69/45/82/562694582.db2.gz NHTZOQCLJPHAOS-IGYGKHONSA-N 1 0 582.745 5.093 1 0 KKAFRO Cc1cc(C)c(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000049918203 562694607 /nfs/dbraw/zinc/69/46/07/562694607.db2.gz RFRWTMNZXXWPMZ-CSKARUKUSA-N 1 0 545.555 6.504 1 0 KKAFRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918196 562694625 /nfs/dbraw/zinc/69/46/25/562694625.db2.gz RHQJYCMVXLUQDC-UCUTXXDUSA-N 1 0 595.011 6.632 1 0 KKAFRO C[C@@H](Cc1ccc2nsnc2c1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049952199 562695760 /nfs/dbraw/zinc/69/57/60/562695760.db2.gz XOZBSRFGZXFGAW-GIALRWNJSA-N 1 0 553.723 5.235 1 0 KKAFRO CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H]([NH2+]Cc5cc(F)cc(F)c5)C(C)(C)[C@@H]4CC[C@@]32C)C(=O)O1 ZINC000052955863 562695971 /nfs/dbraw/zinc/69/59/71/562695971.db2.gz NVKMWWXPYRYPPV-IZXZBOQHSA-N 1 0 583.804 7.731 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 ZINC000053243610 562696778 /nfs/dbraw/zinc/69/67/78/562696778.db2.gz WYOPPQODGSRNAW-PMERELPUSA-N 1 0 610.821 5.283 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053246968 562696894 /nfs/dbraw/zinc/69/68/94/562696894.db2.gz YUIPQNKGKYTLSD-PMERELPUSA-N 1 0 531.741 5.954 1 0 KKAFRO COC(=O)C1(Cc2ccccc2)CC[NH+](CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000053294586 562697256 /nfs/dbraw/zinc/69/72/56/562697256.db2.gz UBWCMWMCMLDEKJ-VWLOTQADSA-N 1 0 516.604 5.551 1 0 KKAFRO CC(C)N(Cc1ccccc1)c1ccc(N2CC[NH+](CC[C@H](NC(=O)C3CCCCC3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000053294691 562697303 /nfs/dbraw/zinc/69/73/03/562697303.db2.gz NXOZYOOITBBZJZ-DHUJRADRSA-N 1 0 620.804 8.070 1 0 KKAFRO CCS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000058468457 562697944 /nfs/dbraw/zinc/69/79/44/562697944.db2.gz JDPTZHWBCXFTAC-AJQTZOPKSA-N 1 0 703.805 5.089 1 0 KKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1 ZINC000058520224 562698503 /nfs/dbraw/zinc/69/85/03/562698503.db2.gz FKLHVDCNUGKVGO-UHFFFAOYSA-N 1 0 557.613 6.147 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C)C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000058575408 562699604 /nfs/dbraw/zinc/69/96/04/562699604.db2.gz KZBCLNJIBNVXHE-HSZRJFAPSA-N 1 0 593.979 6.378 1 0 KKAFRO O=C(NCC[NH+]1CCCC1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058575584 562699619 /nfs/dbraw/zinc/69/96/19/562699619.db2.gz HERFSFFCWPWNME-UHFFFAOYSA-N 1 0 509.441 5.141 1 0 KKAFRO O=C(NCC1CC[NH2+]CC1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058583501 562700101 /nfs/dbraw/zinc/70/01/01/562700101.db2.gz HAQTYQFMTMYMGX-UHFFFAOYSA-N 1 0 509.441 5.045 1 0 KKAFRO CCc1c(C[NH+]2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] ZINC000058587368 562700256 /nfs/dbraw/zinc/70/02/56/562700256.db2.gz FVEMLZOMNFSTQP-UHFFFAOYSA-N 1 0 646.760 5.452 1 0 KKAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000058614547 562701070 /nfs/dbraw/zinc/70/10/70/562701070.db2.gz ZDEXTHTTXHQRPJ-TZJDENGASA-N 1 0 675.679 5.220 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058660970 562701445 /nfs/dbraw/zinc/70/14/45/562701445.db2.gz ADEJRCDYIZQEHV-GOTSBHOMSA-N 1 0 551.043 5.017 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3C)cc2)c(Cl)c1 ZINC000059030788 562701595 /nfs/dbraw/zinc/70/15/95/562701595.db2.gz KWDBESFIGVTMJF-XMMPIXPASA-N 1 0 554.945 8.673 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(OCC4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000059259518 562701902 /nfs/dbraw/zinc/70/19/02/562701902.db2.gz OPJOIUDMJCRLNO-QGZVFWFLSA-N 1 0 558.626 6.065 1 0 KKAFRO C[N@H+]1CC(=Cc2ccc(Br)cc2)C2=NC(=S)N[C@H](c3ccc(Br)cc3)C2C1 ZINC000059316067 562701969 /nfs/dbraw/zinc/70/19/69/562701969.db2.gz APLLUVWRENDFQK-JVVYVMHDSA-N 1 0 505.279 5.014 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000059686606 562702128 /nfs/dbraw/zinc/70/21/28/562702128.db2.gz IPQMMHOXXCGSDM-BDTNDASRSA-N 1 0 571.471 6.298 1 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796540 562702410 /nfs/dbraw/zinc/70/24/10/562702410.db2.gz AWQTVWMPPTYLII-HXUOFSJXSA-N 1 0 510.603 7.789 3 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)cc(OC)c1 ZINC000061895996 562702922 /nfs/dbraw/zinc/70/29/22/562702922.db2.gz GNNAJSXRDKRKNV-HKBQPEDESA-N 1 0 522.649 5.279 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000061926355 562703591 /nfs/dbraw/zinc/70/35/91/562703591.db2.gz UPQOUOPNAPNOAC-WJOKGBTCSA-N 1 0 504.609 6.040 3 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061926667 562703595 /nfs/dbraw/zinc/70/35/95/562703595.db2.gz YUSFAECYGXYGSW-NDEPHWFRSA-N 1 0 521.558 6.511 3 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc21 ZINC000063539808 562704491 /nfs/dbraw/zinc/70/44/91/562704491.db2.gz KUNZDWIFPOMUOX-UHFFFAOYSA-N 1 0 530.698 5.960 1 0 KKAFRO CCN(CC[NH+](C)C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540261 562704519 /nfs/dbraw/zinc/70/45/19/562704519.db2.gz SNPDDTDGUJYLJZ-UHFFFAOYSA-N 1 0 526.685 5.991 1 0 KKAFRO CC[NH+](CC)CCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447263 562705361 /nfs/dbraw/zinc/70/53/61/562705361.db2.gz WBJZGDYUGIRKKP-UHFFFAOYSA-N 1 0 594.800 7.337 1 0 KKAFRO C[N@@H+]1C[C@@H]2CC[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447949 562705431 /nfs/dbraw/zinc/70/54/31/562705431.db2.gz AULMPUHJUBFVEB-VXKWHMMOSA-N 1 0 530.611 5.424 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064447919 562705437 /nfs/dbraw/zinc/70/54/37/562705437.db2.gz VNUQQIBXPYYBII-HKBQPEDESA-N 1 0 590.189 5.299 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2CC[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513189 562706338 /nfs/dbraw/zinc/70/63/38/562706338.db2.gz MCMTZESNVUUXPH-WBJKNQCFSA-N 1 0 638.247 7.285 1 0 KKAFRO CCC(C)(C)Oc1c(OC)ccc2c1c[n+]1c(c2Cc2ccc(C(C)C)cc2)-c2cc3c(cc2CC1)OCO3 ZINC000064526798 562706676 /nfs/dbraw/zinc/70/66/76/562706676.db2.gz FQYZDEKILIGXFS-UHFFFAOYSA-N 1 0 524.681 7.369 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000064528132 562707247 /nfs/dbraw/zinc/70/72/47/562707247.db2.gz BUANBTMUMFMMJA-UHFFFAOYSA-N 1 0 637.829 5.802 1 0 KKAFRO CN1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064548918 562707953 /nfs/dbraw/zinc/70/79/53/562707953.db2.gz LDLBFITVAGVRNV-UHFFFAOYSA-N 1 0 558.090 5.345 1 0 KKAFRO CC(C)(C(=O)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000064559170 562708363 /nfs/dbraw/zinc/70/83/63/562708363.db2.gz BPGOSRQFTCQNCB-UHFFFAOYSA-N 1 0 508.028 6.730 1 0 KKAFRO C[NH+]1CCC(C(=O)OCc2ccc(I)cc2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000064559534 562708421 /nfs/dbraw/zinc/70/84/21/562708421.db2.gz XOOURKOAQUGNQD-UHFFFAOYSA-N 1 0 504.195 5.305 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCC[C@@H]1CCC[N@@H+](CCCCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000064585827 562708802 /nfs/dbraw/zinc/70/88/02/562708802.db2.gz MTIBFGQHSSIDCG-KKWWPJITSA-N 1 0 556.578 6.615 1 0 KKAFRO CC(C)(CCCC(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000066066059 562709261 /nfs/dbraw/zinc/70/92/61/562709261.db2.gz OPGJLRAOCXKVFP-VWLOTQADSA-N 1 0 596.563 6.807 1 0 KKAFRO CCn1nc(-c2ccncc2)cc1C1CC[NH+](CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000066066060 562709262 /nfs/dbraw/zinc/70/92/62/562709262.db2.gz JVQXOLQYNONDLF-SANMLTNESA-N 1 0 566.537 6.081 1 0 KKAFRO COc1cccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c1 ZINC000066066111 562709287 /nfs/dbraw/zinc/70/92/87/562709287.db2.gz FPDYNLCFLHJVOJ-VCTRWQRLSA-N 1 0 594.583 6.046 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073701 562709516 /nfs/dbraw/zinc/70/95/16/562709516.db2.gz QLLNKTNPRXOQMG-ZORMNXRFSA-N 1 0 594.583 6.046 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)nc(N2CCCCC2)n1 ZINC000066074078 562709668 /nfs/dbraw/zinc/70/96/68/562709668.db2.gz DYGCNAYMPPFBJV-UHFFFAOYSA-N 1 0 546.123 6.304 1 0 KKAFRO CCn1nc(Cc2ccc(F)cc2)cc1C1CC[NH+](CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000066076357 562710114 /nfs/dbraw/zinc/71/01/14/562710114.db2.gz NMXCKSABIWYQPI-NDEPHWFRSA-N 1 0 597.566 6.749 1 0 KKAFRO C[C@H]1CN(c2ncc(C(=O)NCC3CCCCC3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066079083 562710587 /nfs/dbraw/zinc/71/05/87/562710587.db2.gz MTDWSEHSHFRGKO-QFIPXVFZSA-N 1 0 558.598 5.874 1 0 KKAFRO Cc1nc2ccccc2n1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097315 562710772 /nfs/dbraw/zinc/71/07/72/562710772.db2.gz OGNORWCOELPFMG-RUZDIDTESA-N 1 0 502.684 5.134 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000066098341 562710924 /nfs/dbraw/zinc/71/09/24/562710924.db2.gz PIMLSCWBKRKXLA-YJNPBZNESA-N 1 0 624.609 6.054 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098897 562711009 /nfs/dbraw/zinc/71/10/09/562711009.db2.gz OISSAGDOBVXRAL-YTTGMZPUSA-N 1 0 592.788 5.610 1 0 KKAFRO O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000066099298 562711053 /nfs/dbraw/zinc/71/10/53/562711053.db2.gz FMYKWJDOTAPBPQ-UHFFFAOYSA-N 1 0 574.503 5.383 1 0 KKAFRO CC[NH+](CC)CCc1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000066101543 562711394 /nfs/dbraw/zinc/71/13/94/562711394.db2.gz RJVWSVNQVSTZRV-QIXIFPRPSA-N 1 0 574.674 5.110 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103537 562711537 /nfs/dbraw/zinc/71/15/37/562711537.db2.gz PYXSQEBHAOBWDL-ONNKAKFGSA-N 1 0 566.624 6.026 1 0 KKAFRO Cc1c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1 ZINC000066113798 562712237 /nfs/dbraw/zinc/71/22/37/562712237.db2.gz MVKIRPRKXWSIBF-UHFFFAOYSA-N 1 0 519.571 5.583 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138367 562713292 /nfs/dbraw/zinc/71/32/92/562713292.db2.gz GDJZYFWFJVXXLZ-YDPTYEFTSA-N 1 0 630.025 6.429 3 0 KKAFRO Fc1ccc2nc(NCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nc(NCc3ccco3)c2c1 ZINC000066138741 562713341 /nfs/dbraw/zinc/71/33/41/562713341.db2.gz FEZAMPULXRHPAK-UHFFFAOYSA-N 1 0 543.474 6.295 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066156382 562713738 /nfs/dbraw/zinc/71/37/38/562713738.db2.gz ZBSMIXMEGWTGMY-KTYLLXISSA-N 1 0 583.773 6.225 3 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)CC[C@H]([NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157532 562713966 /nfs/dbraw/zinc/71/39/66/562713966.db2.gz FKRJWSOOMWTJEG-CWHUZLPRSA-N 1 0 629.806 5.002 1 0 KKAFRO COC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066157563 562713969 /nfs/dbraw/zinc/71/39/69/562713969.db2.gz VBDXBRZZLAHBSX-XYFQYJLHSA-N 1 0 580.556 6.257 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066166785 562714147 /nfs/dbraw/zinc/71/41/47/562714147.db2.gz RRPFZSIJHKDDSJ-HVIPQOSHSA-N 1 0 599.002 6.691 1 0 KKAFRO CN(C[C@H]1CCCC[N@@H+]1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252069 562714614 /nfs/dbraw/zinc/71/46/14/562714614.db2.gz JYLAXWCUPMUZAQ-OAQYLSRUSA-N 1 0 593.620 6.179 1 0 KKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1 ZINC000066252394 562714756 /nfs/dbraw/zinc/71/47/56/562714756.db2.gz YPQMJUGTEBCYES-UHFFFAOYSA-N 1 0 577.772 6.251 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(NC[C@@H]3CCCC[NH2+]3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066259387 562715258 /nfs/dbraw/zinc/71/52/58/562715258.db2.gz VZEJNYBCKKADCX-IBGZPJMESA-N 1 0 565.566 5.812 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259721 562715328 /nfs/dbraw/zinc/71/53/28/562715328.db2.gz FTIOAHBUNMIIED-UHFFFAOYSA-N 1 0 567.715 5.381 1 0 KKAFRO CCC(CC)[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260050 562715407 /nfs/dbraw/zinc/71/54/07/562715407.db2.gz ICSWMFYHORSGPO-UHFFFAOYSA-N 1 0 607.647 6.569 1 0 KKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066262267 562715478 /nfs/dbraw/zinc/71/54/78/562715478.db2.gz SEZQQEOTFXNKOX-UHFFFAOYSA-N 1 0 521.957 7.442 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715682 /nfs/dbraw/zinc/71/56/82/562715682.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 1 0 679.809 6.566 1 0 KKAFRO CC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC3(CC3)[NH2+]C[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000068244401 562716055 /nfs/dbraw/zinc/71/60/55/562716055.db2.gz OKIDBNYMCUVSLU-QSSUNTQZSA-N 1 0 689.660 6.062 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4=O)CC3)C(C)(C)C2)cc1 ZINC000070631584 562716455 /nfs/dbraw/zinc/71/64/55/562716455.db2.gz HLGRHYKMFNEQSC-CZMKHNCBSA-N 1 0 545.768 6.071 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)CCCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071294346 562716843 /nfs/dbraw/zinc/71/68/43/562716843.db2.gz VIXJWHYOARGMSA-ZCBCEXPUSA-N 1 0 604.945 7.678 1 0 KKAFRO COc1ccccc1C[N@H+](C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(C(C)C)SC[C@@]41C ZINC000071294820 562716972 /nfs/dbraw/zinc/71/69/72/562716972.db2.gz BSACLFCWNMRHBP-DRFRAUJUSA-N 1 0 606.917 7.254 1 0 KKAFRO Cc1nc2cc(S(C)(=O)=O)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071295646 562717298 /nfs/dbraw/zinc/71/72/98/562717298.db2.gz CDLAAOWTOVRSST-BETPUDKTSA-N 1 0 610.824 6.180 1 0 KKAFRO COc1cccc(C[N@H+](C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)c1 ZINC000071296162 562717422 /nfs/dbraw/zinc/71/74/22/562717422.db2.gz MNADYPWSJDDNJK-SGOUQRLHSA-N 1 0 606.917 7.254 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296445 562717494 /nfs/dbraw/zinc/71/74/94/562717494.db2.gz OMQIHQKBNCOMND-SONOPUAISA-N 1 0 592.489 7.158 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071315984 562717794 /nfs/dbraw/zinc/71/77/94/562717794.db2.gz QPAOZNRVQHQTBH-MYUZEXMDSA-N 1 0 614.923 8.101 1 0 KKAFRO Cc1ccnc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071317448 562718185 /nfs/dbraw/zinc/71/81/85/562718185.db2.gz BVAMORINWXWHBN-WINIVTDRSA-N 1 0 606.392 6.895 1 0 KKAFRO Cc1ccnc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071317446 562718198 /nfs/dbraw/zinc/71/81/98/562718198.db2.gz BVAMORINWXWHBN-PPHZAIPVSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318569 562718541 /nfs/dbraw/zinc/71/85/41/562718541.db2.gz JVEPBRRLJSYTHH-MYUZEXMDSA-N 1 0 598.468 7.587 1 0 KKAFRO COc1ccc(CC[N@@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1OC ZINC000071318559 562718559 /nfs/dbraw/zinc/71/85/59/562718559.db2.gz OHNGJFIXSGSZJL-WIOPSUGQSA-N 1 0 563.016 5.944 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000071318892 562718638 /nfs/dbraw/zinc/71/86/38/562718638.db2.gz FFYYMPKYCYWKII-UHFFFAOYSA-N 1 0 528.700 7.598 1 0 KKAFRO Cc1ccc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 ZINC000071330546 562719142 /nfs/dbraw/zinc/71/91/42/562719142.db2.gz RNFWJVYCNCVOTK-XHCCPWGMSA-N 1 0 606.392 6.895 1 0 KKAFRO CC(C)NC(=O)Cn1c(=O)c2cc(-c3cccc(C[NH+]4CCCCC4)c3)ccc2nc1-c1cccc(Cl)c1 ZINC000071340571 562719757 /nfs/dbraw/zinc/71/97/57/562719757.db2.gz UXLNAPIVZYVPGF-UHFFFAOYSA-N 1 0 529.084 5.894 1 0 KKAFRO C[N@H+]1CC(=Cc2cccc(Br)c2)C2=NC(=S)N[C@@H](c3cccc(Br)c3)C2C1 ZINC000071340452 562719774 /nfs/dbraw/zinc/71/97/74/562719774.db2.gz SCXAFDGHPIMNIR-UCSSQIFYSA-N 1 0 505.279 5.014 1 0 KKAFRO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340503 562719777 /nfs/dbraw/zinc/71/97/77/562719777.db2.gz NGOUBZNVARCMNU-UQTDQPHJSA-N 1 0 509.009 6.114 1 0 KKAFRO C[N@@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072104688 562720565 /nfs/dbraw/zinc/72/05/65/562720565.db2.gz ZEOYBQVWWGPAIM-UHFFFAOYSA-N 1 0 587.634 6.720 1 0 KKAFRO COc1ccc(-n2c(C)c(C(=O)NCCC[NH+]3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104738 562720599 /nfs/dbraw/zinc/72/05/99/562720599.db2.gz PYFKQSZWRFFTJK-UHFFFAOYSA-N 1 0 537.708 5.415 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106408 562720995 /nfs/dbraw/zinc/72/09/95/562720995.db2.gz MAJOFQZRYFKJEF-UHFFFAOYSA-N 1 0 528.100 5.752 1 0 KKAFRO CC(=O)N(C)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110794 562721848 /nfs/dbraw/zinc/72/18/48/562721848.db2.gz OHBGZKGQZMYAOO-GKRYNVPLSA-N 1 0 614.221 7.045 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6cccc(Cl)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112493 562722100 /nfs/dbraw/zinc/72/21/00/562722100.db2.gz BCEAWUNNSAUBOB-IBFSNEKNSA-N 1 0 513.166 5.801 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(C(F)(F)F)ccc5c4O)c3)cc2C(F)(F)F)CC1 ZINC000072112788 562722226 /nfs/dbraw/zinc/72/22/26/562722226.db2.gz WYUZMROWCYDDMT-UHFFFAOYSA-N 1 0 659.631 6.516 3 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113704 562722474 /nfs/dbraw/zinc/72/24/74/562722474.db2.gz XDPKSAYRAZVCPX-GVLRJBGTSA-N 1 0 553.791 7.662 1 0 KKAFRO CC[NH+](CC)CCC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072114329 562722678 /nfs/dbraw/zinc/72/26/78/562722678.db2.gz LBLRSOPWKXGTPC-FIRIVFDPSA-N 1 0 582.572 7.593 1 0 KKAFRO CC[NH+](CC)CCC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072114327 562722686 /nfs/dbraw/zinc/72/26/86/562722686.db2.gz LBLRSOPWKXGTPC-IOWSJCHKSA-N 1 0 582.572 7.593 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CCN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072114808 562722815 /nfs/dbraw/zinc/72/28/15/562722815.db2.gz DKXHFFZMSYMRIM-ZWXJPIIXSA-N 1 0 609.598 6.498 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cc2ccccc2s1 ZINC000072118276 562723497 /nfs/dbraw/zinc/72/34/97/562723497.db2.gz OKMHEUYUSKEUTD-QFIPXVFZSA-N 1 0 516.692 5.663 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(Br)cc1 ZINC000072118793 562723632 /nfs/dbraw/zinc/72/36/32/562723632.db2.gz XFTUXQZTAPVODE-JOCHJYFZSA-N 1 0 539.499 5.211 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@H](CCCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119044 562723774 /nfs/dbraw/zinc/72/37/74/562723774.db2.gz HEWBYZPOUNEUEA-ADRXYBOHSA-N 1 0 672.875 5.575 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123639 562724793 /nfs/dbraw/zinc/72/47/93/562724793.db2.gz MFOSXQZBPFJMMX-GOXGLGGOSA-N 1 0 633.447 7.344 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cn2)c(=O)c2c(F)ccc(F)c12 ZINC000072125998 562725255 /nfs/dbraw/zinc/72/52/55/562725255.db2.gz RNZVZOQUASDNJY-AREMUKBSSA-N 1 0 543.618 5.161 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCOc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12 ZINC000072125997 562725257 /nfs/dbraw/zinc/72/52/57/562725257.db2.gz NQRUBKWGBPZKBW-HHHXNRCGSA-N 1 0 543.067 5.587 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127670 562725780 /nfs/dbraw/zinc/72/57/80/562725780.db2.gz XLLCULDIIKOUKO-ZYADHFCISA-N 1 0 676.053 6.857 3 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127719 562725824 /nfs/dbraw/zinc/72/58/24/562725824.db2.gz URKCJPXHIQHWTQ-WISKXVKBSA-N 1 0 728.041 6.074 3 0 KKAFRO COc1cc(/C=C/C[NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127860 562725941 /nfs/dbraw/zinc/72/59/41/562725941.db2.gz UOLSADPZLIMASE-YCAKICQOSA-N 1 0 567.661 5.939 3 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000072129844 562726486 /nfs/dbraw/zinc/72/64/86/562726486.db2.gz UWECJOYEFRYCLM-WGDIFIGCSA-N 1 0 631.910 7.376 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129927 562726596 /nfs/dbraw/zinc/72/65/96/562726596.db2.gz FDOKOHKREXFVQN-ZVBBVAIHSA-N 1 0 698.692 6.870 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131708 562726797 /nfs/dbraw/zinc/72/67/97/562726797.db2.gz GDDLZCIDYMGDBW-MYUZEXMDSA-N 1 0 648.475 8.467 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072132836 562726945 /nfs/dbraw/zinc/72/69/45/562726945.db2.gz DSJGKJAUOYZTRF-QUGAMOGWSA-N 1 0 649.463 7.862 1 0 KKAFRO Cc1cccnc1[C@H](c1ccc(F)cc1)N(C)C(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136538 562727999 /nfs/dbraw/zinc/72/79/99/562727999.db2.gz WFTORSOXVDSRQK-MHZLTWQESA-N 1 0 530.471 6.175 3 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072137720 562728353 /nfs/dbraw/zinc/72/83/53/562728353.db2.gz INQGVWVTBPOLPM-BBACVFHCSA-N 1 0 662.026 6.467 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072137831 562728460 /nfs/dbraw/zinc/72/84/60/562728460.db2.gz NUIDQNYFRIEMCS-BHSUFKTOSA-N 1 0 585.972 6.030 3 0 KKAFRO COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CC[NH+](CC2=Cc3ccccc3OC2(C)C)CC1 ZINC000072142639 562729571 /nfs/dbraw/zinc/72/95/71/562729571.db2.gz LDMAQZOMRUIAML-UHFFFAOYSA-N 1 0 517.453 5.233 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@H](F)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072142884 562729682 /nfs/dbraw/zinc/72/96/82/562729682.db2.gz TYPVIAFFRFMVRU-BVDUFFPGSA-N 1 0 658.249 7.385 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000072151431 562730100 /nfs/dbraw/zinc/73/01/00/562730100.db2.gz MWIOXPKQVFBCTI-KKLWWLSJSA-N 1 0 648.848 6.621 1 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155026 562730147 /nfs/dbraw/zinc/73/01/47/562730147.db2.gz IOCCJLLQYQBDKI-FIRIVFDPSA-N 1 0 682.814 6.523 3 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155024 562730161 /nfs/dbraw/zinc/73/01/61/562730161.db2.gz IOCCJLLQYQBDKI-IOWSJCHKSA-N 1 0 682.814 6.523 3 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOc1cccc2c1CCC[C@@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000072178709 562732170 /nfs/dbraw/zinc/73/21/70/562732170.db2.gz UURFZZFDFAUPEO-WJOKGBTCSA-N 1 0 676.968 6.430 1 0 KKAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072179806 562732404 /nfs/dbraw/zinc/73/24/04/562732404.db2.gz SQDKUGUOXBYJQB-AQSWXANUSA-N 1 0 666.782 5.199 1 0 KKAFRO COc1ccc(-c2cc3cnccc3cc2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C2CC[NH2+]CC2)cc1 ZINC000072179850 562732434 /nfs/dbraw/zinc/73/24/34/562732434.db2.gz MWZGSRQNMKTYFY-MUUNZHRXSA-N 1 0 520.460 6.688 1 0 KKAFRO COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCC[NH+]1CCCCC1 ZINC000072181293 562732711 /nfs/dbraw/zinc/73/27/11/562732711.db2.gz QPBHVADABCSTRU-UHFFFAOYSA-N 1 0 560.655 6.225 1 0 KKAFRO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)C[C@@H](O)c2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)cc1 ZINC000072184189 562732922 /nfs/dbraw/zinc/73/29/22/562732922.db2.gz ABKZKGZRSGXVOQ-HSZRJFAPSA-N 1 0 589.602 5.791 1 0 KKAFRO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)C[C@H](O)c2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)cc1 ZINC000072184188 562732931 /nfs/dbraw/zinc/73/29/31/562732931.db2.gz ABKZKGZRSGXVOQ-QHCPKHFHSA-N 1 0 589.602 5.791 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]12c1ccc(Cl)cc1NC2=O ZINC000072316544 562733107 /nfs/dbraw/zinc/73/31/07/562733107.db2.gz KALNCVZAFDQICX-AMKZZFPWSA-N 1 0 583.491 5.620 1 0 in-vitro KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317208 562733183 /nfs/dbraw/zinc/73/31/83/562733183.db2.gz PWWXJRATTSECRZ-SANMLTNESA-N 1 0 579.745 5.600 1 0 KKAFRO C[C@H](O)C(=O)N(C[C@@H]1C[NH2+]C[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000072317540 562733190 /nfs/dbraw/zinc/73/31/90/562733190.db2.gz XEGREMXEJOEPFK-IPFHOXPHSA-N 1 0 545.671 5.533 1 0 KKAFRO O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318468 562733296 /nfs/dbraw/zinc/73/32/96/562733296.db2.gz GHTSQNCNYKPRQH-VIJSPRBVSA-N 1 0 568.943 5.988 1 0 KKAFRO CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000073157008 562733858 /nfs/dbraw/zinc/73/38/58/562733858.db2.gz GUUJUIXBOCRPLX-ZKZCUZKLSA-N 1 0 603.754 5.108 1 0 KKAFRO C[NH+]1C(C)(C)CC(Nc2cc(-c3ccccc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1(C)C ZINC000073161724 562734131 /nfs/dbraw/zinc/73/41/31/562734131.db2.gz WOXFIIIHPWKJPG-UHFFFAOYSA-N 1 0 569.964 8.226 1 0 KKAFRO [O-][n+]1ccc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH2+]CC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073162324 562734171 /nfs/dbraw/zinc/73/41/71/562734171.db2.gz RUROPJZAIGJEBT-UHFFFAOYSA-N 1 0 502.804 6.769 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000073165116 562734417 /nfs/dbraw/zinc/73/44/17/562734417.db2.gz MOOUNTOBBABIFU-CFBFXQLHSA-N 1 0 519.089 5.243 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC000073166301 562734464 /nfs/dbraw/zinc/73/44/64/562734464.db2.gz UPPWPMDASXRHMH-FFFDTLNISA-N 1 0 552.641 5.608 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000073166307 562734466 /nfs/dbraw/zinc/73/44/66/562734466.db2.gz STFZXNFAUSAZFQ-KIMBCMIISA-N 1 0 568.640 5.488 1 0 KKAFRO C[C@H](Nc1cc(N2CCC[C@H]([N@@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198247 562735611 /nfs/dbraw/zinc/73/56/11/562735611.db2.gz FJAVFDVEPOTXLF-CUNXSJBXSA-N 1 0 525.100 6.392 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000073198192 562735618 /nfs/dbraw/zinc/73/56/18/562735618.db2.gz WOERJSXSTHFFHD-IBGZPJMESA-N 1 0 624.838 7.484 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccc(F)cc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219768 562736199 /nfs/dbraw/zinc/73/61/99/562736199.db2.gz CRVUJSZHQDCFMW-FPNNDXFKSA-N 1 0 588.749 6.307 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccccn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073219645 562736221 /nfs/dbraw/zinc/73/62/21/562736221.db2.gz LWPKSWPTIIGBGQ-UFLJZRJVSA-N 1 0 504.700 5.104 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)ccc4c3=O)CC2)c1 ZINC000073220713 562736246 /nfs/dbraw/zinc/73/62/46/562736246.db2.gz KTRCYCJPMDYGHD-UHFFFAOYSA-N 1 0 549.502 6.598 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000073223994 562736580 /nfs/dbraw/zinc/73/65/80/562736580.db2.gz RWQHHBVPPXSPNM-UHFFFAOYSA-N 1 0 584.042 6.947 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000073224333 562736653 /nfs/dbraw/zinc/73/66/53/562736653.db2.gz YKQYCTMUTTZAIB-SANMLTNESA-N 1 0 502.018 5.260 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1 ZINC000073224501 562736702 /nfs/dbraw/zinc/73/67/02/562736702.db2.gz FQAOMFUPBGQHTA-UHFFFAOYSA-N 1 0 583.947 7.252 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(F)ccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073240551 562736870 /nfs/dbraw/zinc/73/68/70/562736870.db2.gz RRMKDVINFHJLQE-FPNNDXFKSA-N 1 0 588.749 6.307 1 0 KKAFRO CC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc4[nH]c5ccc(Br)cc5c4c3)CC2)c2ccccc21 ZINC000073390866 562738614 /nfs/dbraw/zinc/73/86/14/562738614.db2.gz GHZWDQYQFZFFJF-HHHXNRCGSA-N 1 0 502.456 6.198 1 0 KKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5[nH]nc(C(F)(F)F)c5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000073394769 562738636 /nfs/dbraw/zinc/73/86/36/562738636.db2.gz PDOFXKOCNJWKCT-JZZDDDOBSA-N 1 0 517.680 6.468 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073390874 562738656 /nfs/dbraw/zinc/73/86/56/562738656.db2.gz HOVSLXHXZHFJMS-ZZNFJVAJSA-N 1 0 579.714 5.579 1 0 KKAFRO COC(=O)CCC[NH2+]CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000073413431 562738774 /nfs/dbraw/zinc/73/87/74/562738774.db2.gz PLZDYBBEDVDXNQ-ANSWHRQLSA-N 1 0 501.752 6.456 1 0 KKAFRO Cc1nc(Oc2ccc(S(C)(=O)=O)cc2F)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136640 562738978 /nfs/dbraw/zinc/73/89/78/562738978.db2.gz DGZQCHPGVIUVFH-HKBQPEDESA-N 1 0 693.748 5.750 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(C(=O)Nc2cnc(C(N)=O)c(F)c2)c2cccc(F)c2)CC1 ZINC000082137965 562739085 /nfs/dbraw/zinc/73/90/85/562739085.db2.gz DVFOQMRJIKUZJA-UHFFFAOYSA-N 1 0 665.723 5.029 1 0 KKAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]C3CC3)ccc2Cl)C2CC2)cc1 ZINC000082153267 562740182 /nfs/dbraw/zinc/74/01/82/562740182.db2.gz JWSLCJYWKOZTQB-UUWRZZSWSA-N 1 0 661.243 5.125 1 0 KKAFRO O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(C[NH2+]CCc3c(Cl)cccc3Cl)cc1)ccc2[O-] ZINC000082155554 562740573 /nfs/dbraw/zinc/74/05/73/562740573.db2.gz VXWRTVFVCMMICW-UHFFFAOYSA-N 1 0 516.494 5.309 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nnc(C(F)(F)F)s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000082158445 562741160 /nfs/dbraw/zinc/74/11/60/562741160.db2.gz GGLJTFZSSXJGEQ-YFNKSVMNSA-N 1 0 605.752 5.897 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cccc(C[C@@H]4NC(=O)/C(=C/c5ccccc5)N(C)C4=O)c3)cc1)CC2 ZINC000084394971 562742948 /nfs/dbraw/zinc/74/29/48/562742948.db2.gz ZSZGNRWAEFDRES-YWBLTOQVSA-N 1 0 644.772 5.097 1 0 KKAFRO Cc1cc(C[C@@H](CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000084596249 562743609 /nfs/dbraw/zinc/74/36/09/562743609.db2.gz LXIFAYJFJACLAX-LJAQVGFWSA-N 1 0 622.814 5.145 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(F)c2)n1 ZINC000084596539 562743724 /nfs/dbraw/zinc/74/37/24/562743724.db2.gz CMGUYVDMQMOPPS-BJKOFHAPSA-N 1 0 542.621 5.957 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(-c2nc4ccccc4s2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084596572 562743737 /nfs/dbraw/zinc/74/37/37/562743737.db2.gz CDXCQCNVSRRUCF-UHFFFAOYSA-N 1 0 589.693 7.212 1 0 KKAFRO Cc1nc(N2CCC([NH+]3CCCC3)CC2)nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12 ZINC000084596621 562743746 /nfs/dbraw/zinc/74/37/46/562743746.db2.gz VNZZEVIBFGYDGA-UHFFFAOYSA-N 1 0 508.066 5.452 1 0 KKAFRO CC[NH+](CC)CCNC(=O)/C=C\c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc21 ZINC000084603040 562744081 /nfs/dbraw/zinc/74/40/81/562744081.db2.gz XJSFDMGICAWQFS-KAMYIIQDSA-N 1 0 542.709 5.969 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084616487 562744602 /nfs/dbraw/zinc/74/46/02/562744602.db2.gz NPXGBPQLUUMPJK-XIFFEERXSA-N 1 0 604.755 6.394 1 0 KKAFRO Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)NC4CC[NH+](Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617370 562744867 /nfs/dbraw/zinc/74/48/67/562744867.db2.gz WHQVOTXBLAETFF-UHFFFAOYSA-N 1 0 526.660 5.150 1 0 KKAFRO O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc(C3=[NH+]CCN3)cc2)CC1 ZINC000084618510 562745110 /nfs/dbraw/zinc/74/51/10/562745110.db2.gz LJVFUNKIIQVDNX-SSEXGKCCSA-N 1 0 625.622 5.503 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000084632111 562745449 /nfs/dbraw/zinc/74/54/49/562745449.db2.gz AHPRRLHNTJTUJE-BJKOFHAPSA-N 1 0 575.531 6.986 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084634586 562745903 /nfs/dbraw/zinc/74/59/03/562745903.db2.gz UGINLDOCQNRWSG-BJKOFHAPSA-N 1 0 559.076 6.472 1 0 KKAFRO CCCCOc1cc2c(cc1OCC[NH+](CC)CC)ncnc2Nc1ccc(NC(=O)OCC)c(Cl)c1 ZINC000084634626 562745971 /nfs/dbraw/zinc/74/59/71/562745971.db2.gz AYKHNPBZSPHOJF-UHFFFAOYSA-N 1 0 530.069 6.495 1 0 KKAFRO CCCCCC[C@@H](C[NH+]1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084652122 562746401 /nfs/dbraw/zinc/74/64/01/562746401.db2.gz LOLZEDSJRXPDOV-SANMLTNESA-N 1 0 501.067 6.096 1 0 KKAFRO C[NH+](C)[C@]1(C)C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000084653646 562746947 /nfs/dbraw/zinc/74/69/47/562746947.db2.gz HCHKWTPQBBGQOL-AFKLWXAFSA-N 1 0 545.049 6.163 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084653704 562746953 /nfs/dbraw/zinc/74/69/53/562746953.db2.gz ACNLPUGBMMPYDV-ISCCLHIJSA-N 1 0 548.465 5.778 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084653705 562746957 /nfs/dbraw/zinc/74/69/57/562746957.db2.gz ZVMJQGQCDPKDMY-CTWZREHQSA-N 1 0 560.064 5.867 1 0 KKAFRO C[C@@H](Oc1cc(-c2cc(-c3cccc(C[NH+](C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654627 562747283 /nfs/dbraw/zinc/74/72/83/562747283.db2.gz SJDSHZKOFYRALI-GOSISDBHSA-N 1 0 534.582 6.317 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC(C)=O)c3)cc2C(F)(F)F)CC1 ZINC000084670754 562748357 /nfs/dbraw/zinc/74/83/57/562748357.db2.gz BCXLDFKFEHFPNL-UHFFFAOYSA-N 1 0 564.612 5.597 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(N)n[nH]c5c4)c3)cc2C(F)(F)F)CC1 ZINC000084670755 562748368 /nfs/dbraw/zinc/74/83/68/562748368.db2.gz KJKHQXIRRRKSQM-UHFFFAOYSA-N 1 0 522.575 5.221 1 0 KKAFRO O=C(O[C@@H]1C[N@@H+]2Cc3cc4c(cc3[C@]13C=C[C@@H](OC(=O)c1ccc(Br)cc1)C[C@H]23)OCO4)c1ccc(Br)cc1 ZINC000084689662 562749369 /nfs/dbraw/zinc/74/93/69/562749369.db2.gz HZSHYRPQIBVJDO-BPLGMCQHSA-N 1 0 653.323 5.787 1 0 KKAFRO [NH2+]=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCC1 ZINC000084708848 562750269 /nfs/dbraw/zinc/75/02/69/562750269.db2.gz WNEFIHZOWXDTPA-UHFFFAOYSA-N 1 0 513.470 5.996 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084709052 562750279 /nfs/dbraw/zinc/75/02/79/562750279.db2.gz YCRNUCBVYJRPTD-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO COc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710036 562750422 /nfs/dbraw/zinc/75/04/22/562750422.db2.gz LUVGQMIABQYOSC-MGBGTMOVSA-N 1 0 558.642 5.719 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4cnc(-c5ccccc5)nc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710699 562750571 /nfs/dbraw/zinc/75/05/71/562750571.db2.gz HANUVWPRANRHOJ-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4cnc(-c5ccccc5)nc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710701 562750588 /nfs/dbraw/zinc/75/05/88/562750588.db2.gz HANUVWPRANRHOJ-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(c3)NC(=O)/C4=C\c3ccc[nH]3)c2)cc(N2CC[NH+](C)CC2)c1 ZINC000084714712 562750985 /nfs/dbraw/zinc/75/09/85/562750985.db2.gz IBCNIGDAKZQAFQ-CEUNXORHSA-N 1 0 532.648 5.564 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2oc3ncnc(NCC4SCCCS4)c3c2-c2ccccc2)cc1 ZINC000084730214 562751619 /nfs/dbraw/zinc/75/16/19/562751619.db2.gz SIVPBZNKCSZTPW-UHFFFAOYSA-N 1 0 506.697 6.105 1 0 KKAFRO CN(C)c1ccc(-c2cc(-c3ccc(C(=S)N4CCCCC4)s3)cc(-c3ccc(N(C)C)cc3)[s+]2)cc1 ZINC000084740492 562752061 /nfs/dbraw/zinc/75/20/61/562752061.db2.gz AHGQDOFDFTYENO-UHFFFAOYSA-N 1 0 544.835 8.385 1 0 KKAFRO COc1c(C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC[C@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C ZINC000084758466 562752632 /nfs/dbraw/zinc/75/26/32/562752632.db2.gz SYTCYUDZWUIXOD-PDDLMNHVSA-N 1 0 533.757 5.576 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2 ZINC000088260759 562753485 /nfs/dbraw/zinc/75/34/85/562753485.db2.gz GDLSQNRDPMUWOH-IGKIAQTJSA-N 1 0 537.553 5.439 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCC1)CC2 ZINC000088260768 562753515 /nfs/dbraw/zinc/75/35/15/562753515.db2.gz WHKGTFDFEPPMCM-BVAGGSTKSA-N 1 0 523.526 5.048 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@@H](C)OC(=O)OC1CCCCC1)(C(=O)O[C@@H](C)OC(=O)OC1CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000095536522 562753926 /nfs/dbraw/zinc/75/39/26/562753926.db2.gz NADASEUHARIBQY-BHUVWSLTSA-N 1 0 762.249 6.812 1 0 KKAFRO CC[N@@H+](C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1 ZINC000095538113 562754490 /nfs/dbraw/zinc/75/44/90/562754490.db2.gz CSWTXNVAULACPE-QPPIDDCLSA-N 1 0 806.023 8.455 1 0 KKAFRO C[C@H](NC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095539334 562754997 /nfs/dbraw/zinc/75/49/97/562754997.db2.gz YMSMUBIIQQDAFR-ACZZBERASA-N 1 0 816.893 6.563 1 0 KKAFRO O=C(N[C@H](Cc1ccccc1)C[NH+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000095539367 562755003 /nfs/dbraw/zinc/75/50/03/562755003.db2.gz YKGANGZPZGMFOH-KUFDTJSHSA-N 1 0 840.066 7.271 1 0 KKAFRO CC[NH+](CC)C[C@@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540206 562755571 /nfs/dbraw/zinc/75/55/71/562755571.db2.gz KVUNLHHSMXAIAJ-YTWZBVJHSA-N 1 0 761.540 7.207 1 0 KKAFRO O=C(Nc1ccc2[nH]cc(C3CCN([C@H](C[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1 ZINC000095540639 562755881 /nfs/dbraw/zinc/75/58/81/562755881.db2.gz GMPLQRYRDNTYBI-RRHRGVEJSA-N 1 0 768.831 9.422 1 0 KKAFRO Cc1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)c3nc4ccccc4o3)N(C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc3ccccc3)C2)cc1 ZINC000095543592 562757374 /nfs/dbraw/zinc/75/73/74/562757374.db2.gz KYZCEQWQNGGPGQ-MVELZRAVSA-N 1 0 759.904 6.047 1 0 KKAFRO CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000095548075 562759107 /nfs/dbraw/zinc/75/91/07/562759107.db2.gz QDNROJXIPJKYJU-CEBSZYIUSA-N 1 0 767.791 7.801 1 0 KKAFRO C[C@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548797 562759507 /nfs/dbraw/zinc/75/95/07/562759507.db2.gz PUWXIJWAYYMLGI-JLRQGTOJSA-N 1 0 788.864 5.797 1 0 KKAFRO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc3c(=O)cc(CCc4cccc(F)c4F)n(CC(=O)N(C)Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3n2)cc1 ZINC000095549145 562759790 /nfs/dbraw/zinc/75/97/90/562759790.db2.gz NEYXJVNPYRXVSK-GDLZYMKVSA-N 1 0 764.839 9.456 1 0 KKAFRO COc1cc2nc(-c3cccc(Oc4ccccc4)c3)c(C(=O)NCCC[NH+]3CCCC3)c(O)c2cc1F ZINC000095552709 562760783 /nfs/dbraw/zinc/76/07/83/562760783.db2.gz IIDIZFHPHDHPEA-UHFFFAOYSA-N 1 0 515.585 5.351 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H]([NH3+])CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553372 562760930 /nfs/dbraw/zinc/76/09/30/562760930.db2.gz ATLHHAOOYRUXSA-UNOODAFMSA-N 1 0 801.053 6.126 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(OC)cc1 ZINC000095555134 562761489 /nfs/dbraw/zinc/76/14/89/562761489.db2.gz QATULURJPCDVNM-JKENOGCRSA-N 1 0 659.893 6.739 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCCc3ccccc3)CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 ZINC000095556632 562761832 /nfs/dbraw/zinc/76/18/32/562761832.db2.gz VFCZLZDVMXWVIQ-UHFFFAOYSA-N 1 0 751.876 8.659 1 0 KKAFRO CCCCc1sc(NC(=O)c2ccc(OCCC[NH+](CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559368 562762718 /nfs/dbraw/zinc/76/27/18/562762718.db2.gz RBGJTFVXHBIPJY-UHFFFAOYSA-N 1 0 592.205 8.961 1 0 KKAFRO COc1cc(-c2cc(=O)c3ccccc3o2)ccc1OCCOCC[NH2+]CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC ZINC000095561370 562763374 /nfs/dbraw/zinc/76/33/74/562763374.db2.gz NRTDPEATEUOLOL-UHFFFAOYSA-N 1 0 693.749 6.331 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095562783 562763792 /nfs/dbraw/zinc/76/37/92/562763792.db2.gz KBMWVCCFUJDZOP-UHFFFAOYSA-N 1 0 622.717 6.424 1 0 KKAFRO CCCCc1sc(-c2ccc(OCCC[NH+]3CCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563425 562763934 /nfs/dbraw/zinc/76/39/34/562763934.db2.gz YSJTVWUCRDZOGB-UHFFFAOYSA-N 1 0 547.164 9.130 1 0 KKAFRO CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OCCC[NH+](CC)CC)cc1 ZINC000095564047 562764129 /nfs/dbraw/zinc/76/41/29/562764129.db2.gz JDHVIQVHEOLHHB-UHFFFAOYSA-N 1 0 549.180 9.376 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095565122 562764565 /nfs/dbraw/zinc/76/45/65/562764565.db2.gz GQPLODGYDYCVNT-LPBFERMMSA-N 1 0 650.625 5.084 1 0 KKAFRO 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 ZINC000095565510 562764651 /nfs/dbraw/zinc/76/46/51/562764651.db2.gz QZVOXXCTPHCQDU-GNMOFYLKSA-N 1 0 575.672 5.576 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566668 562765159 /nfs/dbraw/zinc/76/51/59/562765159.db2.gz GFVUFKNBVACWEX-UTKFAANNSA-N 1 0 586.777 6.145 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@H+](C)Cc1ccc(-c3ccccc3)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095566721 562765188 /nfs/dbraw/zinc/76/51/88/562765188.db2.gz KVYAACMVUJNJTK-INEJIFKHSA-N 1 0 611.743 5.955 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095566849 562765290 /nfs/dbraw/zinc/76/52/90/562765290.db2.gz OFNMEGUDOANJDK-DVHCVUMVSA-N 1 0 576.565 5.864 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095567001 562765445 /nfs/dbraw/zinc/76/54/45/562765445.db2.gz BWUBMXZZYOWTMV-MWXNICTNSA-N 1 0 628.692 5.639 1 0 KKAFRO 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 ZINC000095567031 562765448 /nfs/dbraw/zinc/76/54/48/562765448.db2.gz DEMCBGNJFOTASI-WAPJKPAKSA-N 1 0 638.589 5.214 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567056 562765504 /nfs/dbraw/zinc/76/55/04/562765504.db2.gz UIWHTZIAIXNFGN-SFXKCFQESA-N 1 0 718.880 6.249 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095567310 562765690 /nfs/dbraw/zinc/76/56/90/562765690.db2.gz HOBLGNRWGMWRGX-SUERDDPBSA-N 1 0 789.971 6.389 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095567673 562765988 /nfs/dbraw/zinc/76/59/88/562765988.db2.gz QLYAZMSBNLAUET-LFQYBHLRSA-N 1 0 692.842 5.735 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568014 562766247 /nfs/dbraw/zinc/76/62/47/562766247.db2.gz LMVYLEREBXGKHC-DXZWXPFGSA-N 1 0 652.792 6.413 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568405 562766646 /nfs/dbraw/zinc/76/66/46/562766646.db2.gz CDIQXANOTLSTIU-SUGNLBTMSA-N 1 0 714.867 6.599 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568538 562766723 /nfs/dbraw/zinc/76/67/23/562766723.db2.gz IVGISJLMDFIDFY-IZVMNLJQSA-N 1 0 590.687 6.082 1 0 KKAFRO 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 ZINC000095568560 562766763 /nfs/dbraw/zinc/76/67/63/562766763.db2.gz DEMCBGNJFOTASI-LNIFMVABSA-N 1 0 638.589 5.214 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568835 562766943 /nfs/dbraw/zinc/76/69/43/562766943.db2.gz GFBGNCUTLBGSKQ-AWYDNWMNSA-N 1 0 690.763 7.423 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095569688 562767592 /nfs/dbraw/zinc/76/75/92/562767592.db2.gz RZRAZDHUSITVCK-WTBTXGFSSA-N 1 0 656.828 5.327 1 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570329 562768099 /nfs/dbraw/zinc/76/80/99/562768099.db2.gz SRAYVMPNBAVWRU-WISKXVKBSA-N 1 0 646.027 6.761 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095570513 562768252 /nfs/dbraw/zinc/76/82/52/562768252.db2.gz ACSVFUACEODJDN-PNRGXICFSA-N 1 0 594.712 5.478 3 0 KKAFRO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570630 562768302 /nfs/dbraw/zinc/76/83/02/562768302.db2.gz GJHPJKJHWVCAHT-QRIZJJBVSA-N 1 0 704.022 6.326 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095570688 562768385 /nfs/dbraw/zinc/76/83/85/562768385.db2.gz ZZFLVVQZHZTAAM-MJZSVGSSSA-N 1 0 666.860 6.367 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095570792 562768493 /nfs/dbraw/zinc/76/84/93/562768493.db2.gz IQSVNIDGIMJPQN-BCIXQDHQSA-N 1 0 592.740 5.282 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570843 562768557 /nfs/dbraw/zinc/76/85/57/562768557.db2.gz VYACBIYDVUCBDQ-BCRFLOQVSA-N 1 0 641.017 5.800 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570994 562768683 /nfs/dbraw/zinc/76/86/83/562768683.db2.gz UUCMFHNJLLHFQV-AHYUKCMYSA-N 1 0 598.788 6.160 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571086 562768800 /nfs/dbraw/zinc/76/88/00/562768800.db2.gz MLZGHAQZJXEDIV-XUJRGEPCSA-N 1 0 636.793 6.287 1 0 KKAFRO 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 ZINC000095571122 562768804 /nfs/dbraw/zinc/76/88/04/562768804.db2.gz GDLSESYYEZMWDL-UNTHUGQZSA-N 1 0 697.799 6.167 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095571148 562768857 /nfs/dbraw/zinc/76/88/57/562768857.db2.gz DOYVPIVJJALYPS-UETOGOEVSA-N 1 0 604.714 6.011 1 0 KKAFRO 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 ZINC000095571294 562768972 /nfs/dbraw/zinc/76/89/72/562768972.db2.gz CGLNLVFPHXEQAP-KFDHSVMUSA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@](Cc1ccccc1)(C(=O)[O-])[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095572061 562769298 /nfs/dbraw/zinc/76/92/98/562769298.db2.gz ZNOFXQRZLXBDTB-MHZLTWQESA-N 1 0 505.486 5.635 1 0 KKAFRO CC(C)(C)OC(=O)NCCCC[C@H]([NH2+][C@@H](CNC(=O)Nc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095574733 562770057 /nfs/dbraw/zinc/77/00/57/562770057.db2.gz ZMRCDWJQJXPIGX-IHLOFXLRSA-N 1 0 587.765 5.389 1 0 KKAFRO CC[NH+](CC)CCOc1cccc(Nc2nc(C)cc(-c3ccc(OCCC4CCCCC4)cc3)n2)c1 ZINC000095575065 562770217 /nfs/dbraw/zinc/77/02/17/562770217.db2.gz KXHQXABLTUZEMM-UHFFFAOYSA-N 1 0 502.703 7.265 1 0 KKAFRO C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5nc(-c6ccccc6)c[nH]5)c4)cc[nH+]c3c2)C[C@H](C)O1 ZINC000095577835 562771119 /nfs/dbraw/zinc/77/11/19/562771119.db2.gz ISCMIYUTBPBNHO-BGYRXZFFSA-N 1 0 510.041 7.303 1 0 KKAFRO O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)OCC[NH+]2CCCC2)c1 ZINC000095577938 562771135 /nfs/dbraw/zinc/77/11/35/562771135.db2.gz WSDGIHRCGHPEKH-GXDHUFHOSA-N 1 0 514.666 5.938 1 0 KKAFRO C[C@@H]1CC[C@]2(C(=O)OCCN3CC[NH2+]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 ZINC000095578945 562771448 /nfs/dbraw/zinc/77/14/48/562771448.db2.gz KCRBTBCANCAEQU-JMBNEQOHSA-N 1 0 568.887 6.453 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)ccc2O)c1 ZINC000095584777 562773398 /nfs/dbraw/zinc/77/33/98/562773398.db2.gz GXQJIWCVRRDOHO-UHFFFAOYSA-N 1 0 514.578 5.208 1 0 KKAFRO CCC[S@@](=O)c1csc2cc(-c3[nH]c(-c4ccc(OCC[NH+](C)C)cc4)nc3-c3ccncc3)ccc21 ZINC000095588279 562774592 /nfs/dbraw/zinc/77/45/92/562774592.db2.gz WKLVMJVNYVQWTB-QNGWXLTQSA-N 1 0 530.719 6.478 1 0 KKAFRO CCCSc1csc2cc(-c3[nH]c(-c4ccc(OCC[NH+](C)C)cc4)nc3-c3ccncc3)ccc12 ZINC000095589272 562774880 /nfs/dbraw/zinc/77/48/80/562774880.db2.gz NLYBWVPTNPCBDH-UHFFFAOYSA-N 1 0 514.720 7.463 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCCC4)c(N)[nH+]3)nn2)cc1 ZINC000095589162 562774893 /nfs/dbraw/zinc/77/48/93/562774893.db2.gz MZHFHZMUOSTAAK-UHFFFAOYSA-N 1 0 519.738 5.680 1 0 KKAFRO C[N@@H+]1C[C@H](c2ccc(N3CCOCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095592247 562775861 /nfs/dbraw/zinc/77/58/61/562775861.db2.gz RWRKAJXZXZWJCT-FNTODRPOSA-N 1 0 514.625 5.223 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596261 562776935 /nfs/dbraw/zinc/77/69/35/562776935.db2.gz WFDZHDAVQXLZFZ-OAQYLSRUSA-N 1 0 518.610 5.118 1 0 KKAFRO 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 ZINC000095598724 562777484 /nfs/dbraw/zinc/77/74/84/562777484.db2.gz LZRMYYQDLQFCEK-LARQVZHXSA-N 1 0 728.809 7.006 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095598882 562777631 /nfs/dbraw/zinc/77/76/31/562777631.db2.gz QMCFBRPLMVFDBX-GJWZSCNASA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095598862 562777650 /nfs/dbraw/zinc/77/76/50/562777650.db2.gz CCYKTEMVMBOJBS-BRUQSJHLSA-N 1 0 601.744 5.196 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095599238 562777900 /nfs/dbraw/zinc/77/79/00/562777900.db2.gz OCOAZZWZFVYNQI-BEAGFIRGSA-N 1 0 670.678 7.173 1 0 KKAFRO COc1ccc(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 ZINC000095599280 562777915 /nfs/dbraw/zinc/77/79/15/562777915.db2.gz LFZLAWVTNRSJHJ-BYIYZAFRSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599505 562778094 /nfs/dbraw/zinc/77/80/94/562778094.db2.gz BXFZIXJRVHHTCE-CYCDCDHJSA-N 1 0 678.336 6.448 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095599542 562778184 /nfs/dbraw/zinc/77/81/84/562778184.db2.gz ZMUNMDKTHUEIDP-XLCATFGMSA-N 1 0 645.797 5.575 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095599622 562778209 /nfs/dbraw/zinc/77/82/09/562778209.db2.gz QMCFBRPLMVFDBX-CZWSTMTISA-N 1 0 740.285 7.087 1 0 KKAFRO 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 ZINC000095600143 562778631 /nfs/dbraw/zinc/77/86/31/562778631.db2.gz QZVOXXCTPHCQDU-FYQCMVGJSA-N 1 0 575.672 5.576 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095600148 562778637 /nfs/dbraw/zinc/77/86/37/562778637.db2.gz XMCNJBIDJBGVOV-BUACAMDTSA-N 1 0 716.297 5.797 1 0 KKAFRO 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 ZINC000095600090 562778649 /nfs/dbraw/zinc/77/86/49/562778649.db2.gz ZBBNPLMVFVREHD-IQRSPBMWSA-N 1 0 719.867 6.742 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095600573 562779058 /nfs/dbraw/zinc/77/90/58/562779058.db2.gz KVYNYDNSHYPGTF-IAYPMUAMSA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600641 562779125 /nfs/dbraw/zinc/77/91/25/562779125.db2.gz NNHYDAJISGOSNF-BNJCFXFUSA-N 1 0 654.151 5.441 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600985 562779358 /nfs/dbraw/zinc/77/93/58/562779358.db2.gz ZKPAWGOFKUDAFA-GHTOCUPCSA-N 1 0 685.788 6.672 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604541 562781022 /nfs/dbraw/zinc/78/10/22/562781022.db2.gz WOMGVMCAFXSGAU-ZQWQDMLBSA-N 1 0 696.043 6.663 3 0 KKAFRO 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 ZINC000095604567 562781069 /nfs/dbraw/zinc/78/10/69/562781069.db2.gz UIKXZKCHSBRXDR-NSWWAWACSA-N 1 0 705.840 6.434 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095604636 562781126 /nfs/dbraw/zinc/78/11/26/562781126.db2.gz CHFYKRHHVBHPRB-OJQFFXEZSA-N 1 0 685.693 7.565 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095604828 562781194 /nfs/dbraw/zinc/78/11/94/562781194.db2.gz CHFYKRHHVBHPRB-FXKJGQKXSA-N 1 0 685.693 7.565 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095605721 562781662 /nfs/dbraw/zinc/78/16/62/562781662.db2.gz UQRVVYXDOOLUAO-GAQVVXLESA-N 1 0 723.830 6.573 1 0 KKAFRO CCc1cc(Cc2ccccc2)n(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000095606353 562782052 /nfs/dbraw/zinc/78/20/52/562782052.db2.gz VRQFNMMHPRKRCS-KGJXQKDRSA-N 1 0 568.806 6.422 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCc1cccc(Br)c1)(C(=O)OCCc1cccc(Br)c1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000095606957 562782544 /nfs/dbraw/zinc/78/25/44/562782544.db2.gz KVUGYLVHYCTZDJ-IPBJYNAHSA-N 1 0 787.929 7.159 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1 ZINC000095607717 562783060 /nfs/dbraw/zinc/78/30/60/562783060.db2.gz YUJLCHGUGRTDHS-MGBGTMOVSA-N 1 0 651.845 6.654 1 0 KKAFRO CC[NH+](CC)CCN(C)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000095608106 562783349 /nfs/dbraw/zinc/78/33/49/562783349.db2.gz JIKNMSSWPPOSOQ-XIFFEERXSA-N 1 0 743.323 6.283 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000095611908 562785115 /nfs/dbraw/zinc/78/51/15/562785115.db2.gz IJLVVMDQXVMEAV-WBCKFURZSA-N 1 0 787.962 6.404 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095613517 562786332 /nfs/dbraw/zinc/78/63/32/562786332.db2.gz DWGYAYNOIHHYMB-GAHBWFDVSA-N 1 0 771.881 6.434 1 0 KKAFRO O=C(NCc1cccc(C(F)(F)F)c1)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000095614916 562786944 /nfs/dbraw/zinc/78/69/44/562786944.db2.gz DJYQLAOOBVDRBM-NCZFNTJFSA-N 1 0 743.827 5.653 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680092 562788396 /nfs/dbraw/zinc/78/83/96/562788396.db2.gz AYFIOZIDKGBGDF-QLVXXPONSA-N 1 0 602.757 5.563 1 0 KKAFRO COc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2OC[C@H]1C ZINC000095687717 562788404 /nfs/dbraw/zinc/78/84/04/562788404.db2.gz QEJGVNQBRZVANF-CEFNRUSXSA-N 1 0 590.721 5.354 1 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693862 562788487 /nfs/dbraw/zinc/78/84/87/562788487.db2.gz DHPIXDXHWYRYQT-OXYPMYLPSA-N 1 0 573.738 5.286 1 0 KKAFRO CCC[N@H+](C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095772096 562788966 /nfs/dbraw/zinc/78/89/66/562788966.db2.gz ZDZLFJDSEKLXNO-PUMORYBASA-N 1 0 586.749 5.607 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095819229 562789204 /nfs/dbraw/zinc/78/92/04/562789204.db2.gz JQXCVRFSCSGTFT-ZQLNOWDWSA-N 1 0 634.626 5.384 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825575 562789320 /nfs/dbraw/zinc/78/93/20/562789320.db2.gz NNHYDAJISGOSNF-GVNDJSPXSA-N 1 0 654.151 5.441 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095832821 562789342 /nfs/dbraw/zinc/78/93/42/562789342.db2.gz RCFXVEPLISCIDK-DLEQGYHRSA-N 1 0 618.562 5.523 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095852419 562789577 /nfs/dbraw/zinc/78/95/77/562789577.db2.gz ACXUGZGLDHOICK-GWZRSYOGSA-N 1 0 637.843 5.415 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095861272 562789691 /nfs/dbraw/zinc/78/96/91/562789691.db2.gz JXVCNLJRMRUZKV-MEOLXUPJSA-N 1 0 681.852 5.144 1 0 KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000096167741 562790499 /nfs/dbraw/zinc/79/04/99/562790499.db2.gz BBJNUTKNQNUBOC-UHFFFAOYSA-N 1 0 530.698 5.125 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cccc(OCCN4CC[NH+](C)CC4)c3)nc12 ZINC000096167718 562790538 /nfs/dbraw/zinc/79/05/38/562790538.db2.gz KTLXWFMMAMKHPS-UHFFFAOYSA-N 1 0 523.468 5.677 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C(C)C)CC4)cc3)c3nccnc23)c1Cl ZINC000096173391 562791385 /nfs/dbraw/zinc/79/13/85/562791385.db2.gz PZXSXWSNCFKFNX-UHFFFAOYSA-N 1 0 594.543 6.399 1 0 KKAFRO C#[N+]c1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174092 562791629 /nfs/dbraw/zinc/79/16/29/562791629.db2.gz DQYBYJWDNGTPCE-UHFFFAOYSA-N 1 0 538.615 5.562 1 0 KKAFRO O=S(=O)(Cc1ccccc1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174085 562791631 /nfs/dbraw/zinc/79/16/31/562791631.db2.gz HYXRXIYFWJEHPO-UHFFFAOYSA-N 1 0 577.714 5.137 1 0 KKAFRO Cc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174113 562791678 /nfs/dbraw/zinc/79/16/78/562791678.db2.gz FVFCAAHUOULLAC-UHFFFAOYSA-N 1 0 570.701 5.826 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174101 562791701 /nfs/dbraw/zinc/79/17/01/562791701.db2.gz CFPZCRGUKQYLCR-UHFFFAOYSA-N 1 0 556.674 6.148 1 0 KKAFRO COc1ccc(C)cc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174099 562791712 /nfs/dbraw/zinc/79/17/12/562791712.db2.gz FJHSVNICEATDNX-UHFFFAOYSA-N 1 0 586.700 6.156 1 0 KKAFRO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174202 562791777 /nfs/dbraw/zinc/79/17/77/562791777.db2.gz DPZYBMURJGUYOT-DIPNUNPCSA-N 1 0 645.739 5.419 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000096175698 562791871 /nfs/dbraw/zinc/79/18/71/562791871.db2.gz XMOICBGWKUUJPT-BBANNHEPSA-N 1 0 575.531 6.986 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)cc43)c2)cc1C(F)(F)F ZINC000096175714 562791912 /nfs/dbraw/zinc/79/19/12/562791912.db2.gz JDNOXVYURXSTCJ-UHFFFAOYSA-N 1 0 551.573 5.108 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000096175725 562791941 /nfs/dbraw/zinc/79/19/41/562791941.db2.gz JXIJFGDSBYPZSQ-UHFFFAOYSA-N 1 0 551.573 5.108 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CC[NH2+]CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175752 562791956 /nfs/dbraw/zinc/79/19/56/562791956.db2.gz FWFLODLKGBCRDP-UHFFFAOYSA-N 1 0 631.803 5.549 1 0 KKAFRO COCC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175769 562791967 /nfs/dbraw/zinc/79/19/67/562791967.db2.gz MKWDARQKVFZGSB-UHFFFAOYSA-N 1 0 689.883 5.908 1 0 KKAFRO C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258149 562792808 /nfs/dbraw/zinc/79/28/08/562792808.db2.gz UIHSNHSXXLAXQK-OAHLLOKOSA-N 1 0 601.428 5.979 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269477 562792971 /nfs/dbraw/zinc/79/29/71/562792971.db2.gz JBDKIZMXCKQPEO-MUUNZHRXSA-N 1 0 670.826 8.569 1 0 KKAFRO C[C@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CC[NH+](C)C ZINC000096269790 562793075 /nfs/dbraw/zinc/79/30/75/562793075.db2.gz TVYKSXYNPUZARC-RUZDIDTESA-N 1 0 719.853 7.092 1 0 KKAFRO CC(C)C[NH+]1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1 ZINC000096269938 562793086 /nfs/dbraw/zinc/79/30/86/562793086.db2.gz YOLYNCYHXFKXEH-UHFFFAOYSA-N 1 0 548.703 7.701 1 0 KKAFRO C[C@@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270061 562793149 /nfs/dbraw/zinc/79/31/49/562793149.db2.gz WHKJEXOECXIDBC-AREMUKBSSA-N 1 0 642.772 7.789 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(C)cc3C)c3ccccc3c2=O)cc1F ZINC000096270738 562793345 /nfs/dbraw/zinc/79/33/45/562793345.db2.gz ANIOMFIDASIHRC-UHFFFAOYSA-N 1 0 701.799 7.998 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1F ZINC000096270741 562793365 /nfs/dbraw/zinc/79/33/65/562793365.db2.gz YECWSUXGTFLMNH-UHFFFAOYSA-N 1 0 687.772 7.608 1 0 KKAFRO Cc1cc(=O)oc2cc(OCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271839 562793909 /nfs/dbraw/zinc/79/39/09/562793909.db2.gz BGOVDTOQIRZTJP-UHFFFAOYSA-N 1 0 568.718 5.334 1 0 KKAFRO O=C(CN1CC[NH+](CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271834 562793930 /nfs/dbraw/zinc/79/39/30/562793930.db2.gz XAPQIBLRQAOZQR-UHFFFAOYSA-N 1 0 568.718 5.416 1 0 KKAFRO O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC[NH+]5CCC(O)CC5)cc4)cc32)cc1 ZINC000096272623 562794144 /nfs/dbraw/zinc/79/41/44/562794144.db2.gz WEVRAOPLGYJTLY-UHFFFAOYSA-N 1 0 592.700 6.024 1 0 in-vitro KKAFRO CC[N@H+](CCO)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272639 562794171 /nfs/dbraw/zinc/79/41/71/562794171.db2.gz MGYRISCZOPEGNR-UHFFFAOYSA-N 1 0 580.689 5.881 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000096272777 562794237 /nfs/dbraw/zinc/79/42/37/562794237.db2.gz ADAQBVKANMBBGO-UHFFFAOYSA-N 1 0 643.254 6.163 1 0 KKAFRO COCC[NH+]1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272794 562794256 /nfs/dbraw/zinc/79/42/56/562794256.db2.gz OOXXIVRLCXQRPS-UHFFFAOYSA-N 1 0 616.228 6.721 1 0 KKAFRO C[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)cc(Cl)cc1Cl ZINC000096273083 562794423 /nfs/dbraw/zinc/79/44/23/562794423.db2.gz PCQXYXGJNHDXJP-LBPRGKRZSA-N 1 0 506.821 6.298 1 0 KKAFRO Cc1csc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(Cl)c(Cl)c3)n(-c3ccc(F)cc3)c12 ZINC000096282444 562794651 /nfs/dbraw/zinc/79/46/51/562794651.db2.gz RIJBMUMGXUEGRW-UHFFFAOYSA-N 1 0 504.458 6.650 1 0 KKAFRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1CCC[NH+](C)C ZINC000096282449 562794666 /nfs/dbraw/zinc/79/46/66/562794666.db2.gz AAZICRXDUWYMRN-UHFFFAOYSA-N 1 0 546.495 6.400 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000096284304 562795067 /nfs/dbraw/zinc/79/50/67/562795067.db2.gz WUCFDYBBGRXJRM-PFATUAPWSA-N 1 0 546.983 7.466 1 0 KKAFRO COc1ccc2c(c1OC)CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284313 562795116 /nfs/dbraw/zinc/79/51/16/562795116.db2.gz GSBZMKJOQZFHPM-CGHRXAFASA-N 1 0 572.590 6.830 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Br)c2)CC1 ZINC000096285340 562795527 /nfs/dbraw/zinc/79/55/27/562795527.db2.gz ZRBNRFQNYULVHS-RBTNQOKQSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285404 562795626 /nfs/dbraw/zinc/79/56/26/562795626.db2.gz DGHNQLRVFQCZFN-AMGIVPHBSA-N 1 0 552.163 5.746 1 0 KKAFRO Cc1ccccc1[C@H]1CN(C2CCCCC2)C(=O)N1C1CC[NH+]([C@@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285424 562795628 /nfs/dbraw/zinc/79/56/28/562795628.db2.gz MZSUZRLLPGOZDL-MUAVYFROSA-N 1 0 546.760 5.186 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000096285412 562795654 /nfs/dbraw/zinc/79/56/54/562795654.db2.gz KOCOTUUHHFPNEF-RBTNQOKQSA-N 1 0 567.178 5.531 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2F)CC1 ZINC000096285442 562795678 /nfs/dbraw/zinc/79/56/78/562795678.db2.gz KJRYGRVOCLJMQX-RBTNQOKQSA-N 1 0 550.723 5.017 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2F)CC1 ZINC000096285439 562795718 /nfs/dbraw/zinc/79/57/18/562795718.db2.gz KJRYGRVOCLJMQX-PIKZIKFNSA-N 1 0 550.723 5.017 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285525 562795816 /nfs/dbraw/zinc/79/58/16/562795816.db2.gz BBDAMYDQPOZZEU-SIBVEZHUSA-N 1 0 633.518 5.036 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302066 562796273 /nfs/dbraw/zinc/79/62/73/562796273.db2.gz NGQNBQOIRABSGM-KZDQMGDASA-N 1 0 586.796 6.561 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903706 562797996 /nfs/dbraw/zinc/79/79/96/562797996.db2.gz SMILDXPOLJCZDH-CBWMPJGPSA-N 1 0 623.646 7.114 1 0 KKAFRO CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903987 562798081 /nfs/dbraw/zinc/79/80/81/562798081.db2.gz VXMVWENUTABJOM-YAFDPGIASA-N 1 0 582.711 5.915 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1ccncc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907055 562798963 /nfs/dbraw/zinc/79/89/63/562798963.db2.gz HOGZVZGIQYWNFF-VDPSFHEQSA-N 1 0 526.806 5.719 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907735 562799198 /nfs/dbraw/zinc/79/91/98/562799198.db2.gz IZDKLOCKHFWMCL-QNLPTKCRSA-N 1 0 588.546 5.445 1 0 KKAFRO C[C@](O)(CCC[NH2+]CCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908072 562799271 /nfs/dbraw/zinc/79/92/71/562799271.db2.gz RGKBIUBLQFRHND-UWJYMKDWSA-N 1 0 539.845 6.367 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908950 562799458 /nfs/dbraw/zinc/79/94/58/562799458.db2.gz UREPPIQHESDSLK-HSZRJFAPSA-N 1 0 610.784 7.504 1 0 KKAFRO CSc1nc2c(cnn2C[C@H](C)c2ccccc2)c(N(C(=O)OCCN2CC[NH+](C)CC2)c2cccc(Br)c2)n1 ZINC000096916881 562801271 /nfs/dbraw/zinc/80/12/71/562801271.db2.gz MVGQVUFEKIVQTO-NRFANRHFSA-N 1 0 624.609 5.637 1 0 KKAFRO C[NH2+]CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1Br ZINC000096921935 562801593 /nfs/dbraw/zinc/80/15/93/562801593.db2.gz KJZSBZUBGSFSLC-UHFFFAOYSA-N 1 0 546.263 5.022 1 0 KKAFRO O=C(NCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000096922437 562801805 /nfs/dbraw/zinc/80/18/05/562801805.db2.gz DZJMVKKMRDEWDJ-UHFFFAOYSA-N 1 0 559.710 6.265 1 0 KKAFRO O=C1C[C@@H](c2cccs2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCC[NH+]1CCCCC1 ZINC000096923474 562802060 /nfs/dbraw/zinc/80/20/60/562802060.db2.gz VGJJIQWZDLHURY-VWLOTQADSA-N 1 0 581.634 9.195 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(F)cc32)cc1F ZINC000096923710 562802137 /nfs/dbraw/zinc/80/21/37/562802137.db2.gz LALAFGCPFSXPPR-UHFFFAOYSA-N 1 0 695.166 9.300 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCC(C)CC6)c(OC)cc54)c(F)c3)c3ccccc3n2)cc1 ZINC000096927153 562802609 /nfs/dbraw/zinc/80/26/09/562802609.db2.gz PUOTWPJGGKRXRB-UHFFFAOYSA-N 1 0 700.811 9.152 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c3ccccc3n2)cc1 ZINC000096927179 562802610 /nfs/dbraw/zinc/80/26/10/562802610.db2.gz AINVSYIOEHAUFN-UHFFFAOYSA-N 1 0 686.784 8.906 1 0 KKAFRO Cc1oc(=O)oc1COC(=O)C(C)(C)c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096927784 562802704 /nfs/dbraw/zinc/80/27/04/562802704.db2.gz REWWMMNQNRRVCQ-UHFFFAOYSA-N 1 0 602.684 5.368 1 0 KKAFRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1ccc2[nH]c3ccc(Br)cc3c2c1Br ZINC000096939788 562804786 /nfs/dbraw/zinc/80/47/86/562804786.db2.gz WVRJJSKOFGAWKQ-INIZCTEOSA-N 1 0 564.274 5.263 1 0 KKAFRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCNc1c2c3c(sc2nc2c1CCCC2)CCCC3 ZINC000098082455 562805246 /nfs/dbraw/zinc/80/52/46/562805246.db2.gz YOXXIBFRJFXOCW-UHFFFAOYSA-N 1 0 502.684 5.132 1 0 KKAFRO O=C1[C@H]2[C@H](C(=O)N1CCC[NH+]1CCN(CCCN3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085231 562805798 /nfs/dbraw/zinc/80/57/98/562805798.db2.gz NIYHRHQXPVSRCC-JPVFTYTRSA-N 1 0 716.882 5.169 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cc3cc(-c4c(C)oc(C)c4C(=O)OC)ccc3nc2Cl)C1C(=O)OC ZINC000100028552 562806175 /nfs/dbraw/zinc/80/61/75/562806175.db2.gz HJWRFOCFZJFHKK-WACOOGRWSA-N 1 0 538.984 5.973 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(C)cc1 ZINC000100032673 562806229 /nfs/dbraw/zinc/80/62/29/562806229.db2.gz CACGBSVXIXSELL-XSHDXORVSA-N 1 0 577.769 6.832 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)O/C=C/Cc2cccnc2)C(CCCCC)C1C(=O)O/C=C/Cc1cccnc1 ZINC000100034015 562806232 /nfs/dbraw/zinc/80/62/32/562806232.db2.gz BRAPCLOFIYVFNX-VVYJUHDZSA-N 1 0 501.627 6.564 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)c1ccccc1)C2 ZINC000100076383 562806645 /nfs/dbraw/zinc/80/66/45/562806645.db2.gz PCTGVUVZMRLXPO-NZEZUYSSSA-N 1 0 616.810 6.995 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCCC1)C2 ZINC000100076399 562806678 /nfs/dbraw/zinc/80/66/78/562806678.db2.gz ZWNFPZMDGAJTDD-VZRBIBDDSA-N 1 0 608.831 6.872 1 0 KKAFRO CCCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3N)cc2)c(N)nc1=N ZINC000101113909 562809270 /nfs/dbraw/zinc/80/92/70/562809270.db2.gz XFGLAFYXBHOYPV-UHFFFAOYSA-O 1 0 562.702 5.033 1 0 KKAFRO CCN(CC)C(=O)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193536 562809792 /nfs/dbraw/zinc/80/97/92/562809792.db2.gz BSIFCMAWFLQILY-WLNZHLEZSA-N 1 0 527.757 6.398 1 0 KKAFRO CCN(CC)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000101372804 562810417 /nfs/dbraw/zinc/81/04/17/562810417.db2.gz IYHKXUNCFKOUMP-FLWNBWAVSA-N 1 0 508.666 6.087 1 0 KKAFRO CN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)c(F)c4)c4c3ncnc4N)CC2)CC1 ZINC000101367554 562810463 /nfs/dbraw/zinc/81/04/63/562810463.db2.gz SKBWQUPLWQUWPH-WGSAOQKQSA-N 1 0 576.080 5.484 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645135 562811493 /nfs/dbraw/zinc/81/14/93/562811493.db2.gz GJLNDEKDUVZOPE-RTWAWAEBSA-N 1 0 561.506 6.011 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645123 562811539 /nfs/dbraw/zinc/81/15/39/562811539.db2.gz KRTZTABXRLIXPM-PMACEKPBSA-N 1 0 547.479 5.621 1 0 KKAFRO CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696202 562811787 /nfs/dbraw/zinc/81/17/87/562811787.db2.gz AWQBBDDSXLFRTH-UHFFFAOYSA-N 1 0 596.753 5.631 1 0 KKAFRO COCC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696420 562811926 /nfs/dbraw/zinc/81/19/26/562811926.db2.gz GJMKHWCAKYEQGN-UHFFFAOYSA-N 1 0 557.672 5.229 1 0 KKAFRO COc1cc(CCC(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806974 562813303 /nfs/dbraw/zinc/81/33/03/562813303.db2.gz JXCYICKXOWATCA-PVCJUVKBSA-N 1 0 643.774 5.625 1 0 KKAFRO Cc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187449 562815481 /nfs/dbraw/zinc/81/54/81/562815481.db2.gz FQYLTAWPUALPQR-UHFFFAOYSA-N 1 0 545.752 7.605 1 0 KKAFRO COc1ccccc1N1CC[NH+](C[C@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103189406 562815610 /nfs/dbraw/zinc/81/56/10/562815610.db2.gz HYPKAOYIUDBAJD-QFIPXVFZSA-N 1 0 565.537 5.343 1 0 KKAFRO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CC[NH+](CCO)CCO)[C@@H]12 ZINC000103224877 562817634 /nfs/dbraw/zinc/81/76/34/562817634.db2.gz HPRCEZXFSZKVHG-JORIVFIJSA-N 1 0 532.725 5.436 1 0 KKAFRO NC(=O)[C@]1(c2cc(CF)c(F)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227235 562817914 /nfs/dbraw/zinc/81/79/14/562817914.db2.gz WPKSRBNQSLEJKY-SCDHDWPVSA-N 1 0 516.419 6.137 1 0 KKAFRO COC(=O)N[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228778 562818017 /nfs/dbraw/zinc/81/80/17/562818017.db2.gz XFUJUIWWNICISD-MZNYFNKISA-N 1 0 530.883 7.010 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(C(C)=O)c(OC)c3)c2)c(C)c1 ZINC000103228627 562818036 /nfs/dbraw/zinc/81/80/36/562818036.db2.gz DEFCGGHYGBLICY-UHFFFAOYSA-N 1 0 549.668 6.255 1 0 KKAFRO C[NH+](C)CCN1C(=O)c2cccc3c(-n4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cn4)ccc(c23)C1=O ZINC000103230294 562818115 /nfs/dbraw/zinc/81/81/15/562818115.db2.gz AMCNUZAKAMEOIT-UHFFFAOYSA-N 1 0 546.471 5.888 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230184 562818130 /nfs/dbraw/zinc/81/81/30/562818130.db2.gz BJTJWSNHVLJIJI-GHMVGRGESA-N 1 0 532.496 7.401 1 0 KKAFRO COCC[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1 ZINC000103233579 562818468 /nfs/dbraw/zinc/81/84/68/562818468.db2.gz BBVFTRZTZQZVJZ-UHFFFAOYSA-N 1 0 540.586 6.361 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235743 562818716 /nfs/dbraw/zinc/81/87/16/562818716.db2.gz ICSKIEUWVASLGU-BSFYYBBGSA-N 1 0 583.604 7.788 1 0 KKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103239086 562819298 /nfs/dbraw/zinc/81/92/98/562819298.db2.gz IJIDVLDTQYWFHT-UHFFFAOYSA-N 1 0 534.538 6.975 1 0 KKAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(CN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000103245932 562819815 /nfs/dbraw/zinc/81/98/15/562819815.db2.gz AJDGDNYRKCASLC-SSEXGKCCSA-N 1 0 542.526 6.570 1 0 KKAFRO Brc1ccc(C(SCC[NH2+]CCCc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000103246759 562819940 /nfs/dbraw/zinc/81/99/40/562819940.db2.gz OQRQLSXKDJYXQN-UHFFFAOYSA-N 1 0 519.346 7.257 1 0 KKAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccc(Oc3ccc(-c4ccccc4)nn3)cc2o1 ZINC000103248533 562820037 /nfs/dbraw/zinc/82/00/37/562820037.db2.gz KZBLGKXJZXZAEJ-UHFFFAOYSA-N 1 0 530.592 5.509 1 0 KKAFRO Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CCC([NH+](C)C)CC5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250487 562820240 /nfs/dbraw/zinc/82/02/40/562820240.db2.gz HKIZNKMCQOQZTI-UHFFFAOYSA-N 1 0 578.117 5.783 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@H]1[NH2+][C@H](CC(C)(C)C)[C@@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103253996 562820611 /nfs/dbraw/zinc/82/06/11/562820611.db2.gz CGCOPBXAGSCZNX-JLEYQQFFSA-N 1 0 614.505 5.024 1 0 KKAFRO COc1ccc2[nH]cc(CC[N@H+](C)Cc3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 ZINC000103256587 562820855 /nfs/dbraw/zinc/82/08/55/562820855.db2.gz SWVBKVBMDAMNEF-UHFFFAOYSA-N 1 0 547.449 6.299 1 0 KKAFRO C[N@H+](CCc1c[nH]c2ccccc12)Cc1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1 ZINC000103256584 562820874 /nfs/dbraw/zinc/82/08/74/562820874.db2.gz SOVUZNXBGWJTIG-UHFFFAOYSA-N 1 0 517.423 6.290 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C ZINC000103258220 562820979 /nfs/dbraw/zinc/82/09/79/562820979.db2.gz BHTMZVVHJAAYBC-PMERELPUSA-N 1 0 588.730 5.409 1 0 KKAFRO O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261471 562821367 /nfs/dbraw/zinc/82/13/67/562821367.db2.gz LAMYCJIXYOSQFI-MUUNZHRXSA-N 1 0 592.584 5.882 1 0 KKAFRO O=C(Nc1cnc2ccccn12)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263332 562821710 /nfs/dbraw/zinc/82/17/10/562821710.db2.gz GGIPAWOBNIQMSB-UHFFFAOYSA-N 1 0 502.018 5.910 1 0 KKAFRO Cc1ccc(C[NH+]2C(C)(C)CCCC2(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264934 562822029 /nfs/dbraw/zinc/82/20/29/562822029.db2.gz BTZRHEZLELPKNL-UHFFFAOYSA-N 1 0 631.743 9.198 1 0 KKAFRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264965 562822083 /nfs/dbraw/zinc/82/20/83/562822083.db2.gz FMGDMZSRGWKPMM-UHFFFAOYSA-N 1 0 535.570 6.717 1 0 KKAFRO Cc1ccc(CN2CC[NH2+]CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267521 562822454 /nfs/dbraw/zinc/82/24/54/562822454.db2.gz UOLPWZVGEWPPKG-UHFFFAOYSA-N 1 0 576.623 6.060 1 0 KKAFRO Cc1ccccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283357 562823667 /nfs/dbraw/zinc/82/36/67/562823667.db2.gz IIXUBHOQXODODU-BJJUCXOISA-N 1 0 549.158 7.519 1 0 KKAFRO CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000103285864 562823782 /nfs/dbraw/zinc/82/37/82/562823782.db2.gz WGZMYJZLGXYQRA-UHFFFAOYSA-N 1 0 528.678 5.719 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000103286201 562823831 /nfs/dbraw/zinc/82/38/31/562823831.db2.gz BGJXZMTXHJZKQW-MGBGTMOVSA-N 1 0 632.632 6.990 1 0 KKAFRO CCOC(=O)[C@@]12C[N@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000105484959 562825288 /nfs/dbraw/zinc/82/52/88/562825288.db2.gz JKJUPHVYTNXPOR-OHOMVRQRSA-N 1 0 571.714 5.452 1 0 KKAFRO COc1cc(NC(=O)[C@@H]2[NH2+][C@@H](CC(C)(C)C)[C@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)ccc1C(N)=O ZINC000113335322 562826425 /nfs/dbraw/zinc/82/64/25/562826425.db2.gz HRVXLPRCNWFREN-ISKXDESKSA-N 1 0 613.517 5.629 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cccc(C[NH+](C)C)c4)c3c2)cc(Cl)c1O ZINC000114036490 562827134 /nfs/dbraw/zinc/82/71/34/562827134.db2.gz UFKYZXYZLCQHOX-UHFFFAOYSA-N 1 0 502.014 6.667 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000114098810 562827560 /nfs/dbraw/zinc/82/75/60/562827560.db2.gz XXEWRUZFINTDJJ-GOSISDBHSA-N 1 0 513.000 5.931 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114099274 562827636 /nfs/dbraw/zinc/82/76/36/562827636.db2.gz GMSJFDPNVXVEPB-XMMPIXPASA-N 1 0 510.078 5.879 1 0 KKAFRO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000114099414 562827641 /nfs/dbraw/zinc/82/76/41/562827641.db2.gz GWPGARDDTHPRSH-JOCHJYFZSA-N 1 0 501.465 5.117 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)no2)cc1 ZINC000114333643 562827950 /nfs/dbraw/zinc/82/79/50/562827950.db2.gz HUGIJXRXAAZKMD-UHFFFAOYSA-N 1 0 534.657 5.386 1 0 KKAFRO CCOc1cc(C[NH+]2CCC3(CN(c4ccc(=O)[nH]c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114357000 562828157 /nfs/dbraw/zinc/82/81/57/562828157.db2.gz LNFGKBZDBLITRH-UHFFFAOYSA-N 1 0 521.589 5.382 1 0 KKAFRO Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114602922 562828402 /nfs/dbraw/zinc/82/84/02/562828402.db2.gz GCGNPPCFOWHEEJ-UHFFFAOYSA-N 1 0 519.639 5.567 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc2ccccc2c1 ZINC000114978362 562828513 /nfs/dbraw/zinc/82/85/13/562828513.db2.gz QVCXNSZTYPKKBM-SSEXGKCCSA-N 1 0 547.120 6.159 1 0 KKAFRO O=C(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000114977823 562828515 /nfs/dbraw/zinc/82/85/15/562828515.db2.gz VPZAEUSPWYHBLF-SANMLTNESA-N 1 0 529.895 6.764 1 0 KKAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)Nc1ccccn1 ZINC000114978807 562828558 /nfs/dbraw/zinc/82/85/58/562828558.db2.gz HUFJZENUEXUKST-SANMLTNESA-N 1 0 512.075 5.255 1 0 KKAFRO COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1 ZINC000114980083 562828591 /nfs/dbraw/zinc/82/85/91/562828591.db2.gz SMILIPGPZKNDRB-HHHXNRCGSA-N 1 0 527.086 5.015 1 0 KKAFRO CCOC(=O)Cn1c2cc(F)ccc2c(C2CC[NH+](CCCSc3ccc(F)cc3)CC2)c1CC ZINC000115228567 562828788 /nfs/dbraw/zinc/82/87/88/562828788.db2.gz MAFSPAYMPQWVRE-UHFFFAOYSA-N 1 0 500.655 6.407 1 0 KKAFRO CCOC(=O)c1cccc(-n2c3cc(F)ccc3c(C3CC[NH+](CCCSc4ccc(F)cc4)CC3)c2CC)n1 ZINC000115230428 562828789 /nfs/dbraw/zinc/82/87/89/562828789.db2.gz MFNWFHKBFKEKAN-UHFFFAOYSA-N 1 0 563.714 7.405 1 0 KKAFRO CC[NH+](CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(OC)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117690929 562829810 /nfs/dbraw/zinc/82/98/10/562829810.db2.gz YYRFXCWKLHVSNQ-UHFFFAOYSA-N 1 0 514.678 5.552 1 0 KKAFRO Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000118604875 562830464 /nfs/dbraw/zinc/83/04/64/562830464.db2.gz UZICUOYVCKOCLZ-HSZRJFAPSA-N 1 0 611.713 5.245 1 0 KKAFRO CC(C)N(CC[NH+](C)C)c1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799852 562830714 /nfs/dbraw/zinc/83/07/14/562830714.db2.gz VVDDORQGXUJPER-DHUJRADRSA-N 1 0 582.192 6.827 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([NH+](C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798414 562830739 /nfs/dbraw/zinc/83/07/39/562830739.db2.gz GYPIVOQVWAXHTL-CQEVQQNYSA-N 1 0 590.208 7.292 1 0 KKAFRO COc1cccc2[nH]c(CCC[N@H+](C)CC[C@]3(OC(=O)C(C)C)C[C@H]4CCC[C@@H]3c3ccccc34)nc21 ZINC000138096461 562831701 /nfs/dbraw/zinc/83/17/01/562831701.db2.gz OZBPEBNJOSXIBE-SKYBXZRDSA-N 1 0 503.687 6.219 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000138611194 562832082 /nfs/dbraw/zinc/83/20/82/562832082.db2.gz GOODGRVFFQXMQC-BRWBUXIUSA-N 1 0 634.592 6.783 1 0 KKAFRO CCN(C(=O)c1ccc(CNc2nc(NCC[NH+](C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 ZINC000140404247 562833057 /nfs/dbraw/zinc/83/30/57/562833057.db2.gz UEYOQAFAZYHFFH-UHFFFAOYSA-N 1 0 624.790 5.012 1 0 KKAFRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)CC1 ZINC000140499008 562833142 /nfs/dbraw/zinc/83/31/42/562833142.db2.gz LUUREPLIWHHQDE-NRFANRHFSA-N 1 0 514.686 5.033 1 0 KKAFRO O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000140738537 562833296 /nfs/dbraw/zinc/83/32/96/562833296.db2.gz CFYWRQMGLYSFGL-UHFFFAOYSA-N 1 0 501.424 6.406 1 0 KKAFRO C[N@@H+]1CC[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000140981802 562833417 /nfs/dbraw/zinc/83/34/17/562833417.db2.gz BYVKTKUNYXDYDU-QBTHZYCMSA-N 1 0 525.637 5.117 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140950222 562833424 /nfs/dbraw/zinc/83/34/24/562833424.db2.gz XFBYPOVDIRGRAL-LYCCBFRSSA-N 1 0 524.653 5.292 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1 ZINC000141318952 562833568 /nfs/dbraw/zinc/83/35/68/562833568.db2.gz AZLUTOKPLNIYBR-MHZLTWQESA-N 1 0 501.606 6.196 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccc(OC)cc3)c[nH]2)c1 ZINC000141548786 562833621 /nfs/dbraw/zinc/83/36/21/562833621.db2.gz BZYZTUXUOMHBTB-HHHXNRCGSA-N 1 0 517.605 5.896 1 0 KKAFRO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[NH2+]CC6)nc5)c4)nc(C)n3)cc12 ZINC000142181262 562833993 /nfs/dbraw/zinc/83/39/93/562833993.db2.gz BGAWAXJXPZATBR-FQEVSTJZSA-N 1 0 505.626 5.546 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556229 562834240 /nfs/dbraw/zinc/83/42/40/562834240.db2.gz CEZKXCISFFAHCY-IRLDBZIGSA-N 1 0 511.496 5.012 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142761938 562834320 /nfs/dbraw/zinc/83/43/20/562834320.db2.gz LVONMJJLVXJEPS-WIOPSUGQSA-N 1 0 511.515 5.224 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](C)c1ccccc1)CC2 ZINC000143034363 562834514 /nfs/dbraw/zinc/83/45/14/562834514.db2.gz OIYMBMDXDPXFAN-OAQYLSRUSA-N 1 0 524.669 5.354 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)C1CCC1 ZINC000143047036 562834542 /nfs/dbraw/zinc/83/45/42/562834542.db2.gz ADBFPMOOTMNMLW-RPLLCQBOSA-N 1 0 537.553 5.581 1 0 KKAFRO C[C@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CC[NH+](C5CCOCC5)CC4)c3)ncc21 ZINC000143111554 562834654 /nfs/dbraw/zinc/83/46/54/562834654.db2.gz QGZVOUDDTFYAME-FQEVSTJZSA-N 1 0 573.145 5.537 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249486 562834857 /nfs/dbraw/zinc/83/48/57/562834857.db2.gz AYHOCUNWSMDBOV-RTWAWAEBSA-N 1 0 511.496 5.012 1 0 KKAFRO [NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(O)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143445988 562835022 /nfs/dbraw/zinc/83/50/22/562835022.db2.gz OETMQIBYSRBYMK-UHFFFAOYSA-N 1 0 500.577 7.066 1 0 KKAFRO [NH3+][C@@H]1CC=CC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143596738 562835168 /nfs/dbraw/zinc/83/51/68/562835168.db2.gz PCYIUCLPLHBZKW-RITPCOANSA-N 1 0 543.883 5.071 1 0 KKAFRO [NH3+]Cc1ccccc1CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143689542 562835247 /nfs/dbraw/zinc/83/52/47/562835247.db2.gz CMYLLLIVPNWYTH-UHFFFAOYSA-N 1 0 567.905 5.684 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCC[N@@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144273455 562836019 /nfs/dbraw/zinc/83/60/19/562836019.db2.gz WGRUESGNZJBCSB-HXUWFJFHSA-N 1 0 518.641 5.138 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1c(C)n(C)c2c1CCc1cnc(Nc3ccc(N4CCC([NH+]5CCCC5)CC4)cc3OC)nc1-2 ZINC000144899272 562836687 /nfs/dbraw/zinc/83/66/87/562836687.db2.gz SWZFCGQEKUXWPZ-UHFFFAOYSA-N 1 0 647.868 7.083 1 0 KKAFRO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[NH+]5CCCCC5)cc4)n[nH]c3c1)C(=O)N2 ZINC000144954899 562836701 /nfs/dbraw/zinc/83/67/01/562836701.db2.gz BVEKREGXHABVFX-KQWMEKAXSA-N 1 0 504.634 6.105 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/C[NH+](C)C ZINC000145264401 562836949 /nfs/dbraw/zinc/83/69/49/562836949.db2.gz YGVOTPAIXFJINL-AFPJDJCSSA-N 1 0 553.997 6.107 1 0 KKAFRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145962322 562837828 /nfs/dbraw/zinc/83/78/28/562837828.db2.gz MSULTFPSAMYWKE-HNNXBMFYSA-N 1 0 590.002 5.565 1 0 KKAFRO CCc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145975494 562837911 /nfs/dbraw/zinc/83/79/11/562837911.db2.gz OVKOASSXKOCLRI-UHFFFAOYSA-N 1 0 581.639 6.325 1 0 KKAFRO CCc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145975293 562837922 /nfs/dbraw/zinc/83/79/22/562837922.db2.gz BEQVKAGWNFYVHJ-UHFFFAOYSA-N 1 0 553.585 5.547 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146023426 562837966 /nfs/dbraw/zinc/83/79/66/562837966.db2.gz BEZARJZIEWXGRK-UHFFFAOYSA-N 1 0 614.600 5.121 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146045676 562838034 /nfs/dbraw/zinc/83/80/34/562838034.db2.gz ZVALDEJYTUSGEA-HNNXBMFYSA-N 1 0 585.492 5.299 1 0 KKAFRO Cc1ccc(NC(=O)CCC(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000146203459 562838355 /nfs/dbraw/zinc/83/83/55/562838355.db2.gz XZKHYAMOWYSZKO-UHFFFAOYSA-N 1 0 568.644 5.847 1 0 KKAFRO CCN(CC)C(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146361173 562838483 /nfs/dbraw/zinc/83/84/83/562838483.db2.gz JLMVLYYCQLMTCP-WUFINQPMSA-N 1 0 603.881 5.295 1 0 KKAFRO Cc1cccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)c1 ZINC000146435125 562838567 /nfs/dbraw/zinc/83/85/67/562838567.db2.gz BIGUAKCWPJNGCV-KDXMTYKHSA-N 1 0 617.797 8.696 1 0 KKAFRO COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000146767181 562838803 /nfs/dbraw/zinc/83/88/03/562838803.db2.gz DWLCBHORSWVXNK-SANMLTNESA-N 1 0 608.665 5.677 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N(C)CC[NH+](C)C)nc43)c2)cc1C(F)(F)F ZINC000148076046 562840110 /nfs/dbraw/zinc/84/01/10/562840110.db2.gz UJUDWFDXSJYDHU-UHFFFAOYSA-N 1 0 608.547 5.460 1 0 KKAFRO CN(CC[NH+]1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148081410 562840184 /nfs/dbraw/zinc/84/01/84/562840184.db2.gz AGJMXBFLQVGXDW-UHFFFAOYSA-N 1 0 583.619 5.252 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148124331 562840260 /nfs/dbraw/zinc/84/02/60/562840260.db2.gz RFSOJNOBTFVKCT-UHFFFAOYSA-N 1 0 590.654 6.329 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCCC3)nc21 ZINC000148145853 562840314 /nfs/dbraw/zinc/84/03/14/562840314.db2.gz OIMDHNWPDDTLFN-UHFFFAOYSA-N 1 0 621.712 6.121 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCCC3)nc21 ZINC000148166004 562840436 /nfs/dbraw/zinc/84/04/36/562840436.db2.gz NBUBXYGRPAAZEG-UHFFFAOYSA-N 1 0 621.712 6.121 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148298060 562840874 /nfs/dbraw/zinc/84/08/74/562840874.db2.gz AJQOHSOXEPEOML-UHFFFAOYSA-N 1 0 593.658 5.341 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](CC(C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148300791 562840960 /nfs/dbraw/zinc/84/09/60/562840960.db2.gz AWORIDNESYCBPS-UHFFFAOYSA-N 1 0 594.642 5.530 1 0 KKAFRO C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3NC3CCOCC3)c2c1)c1cc(F)cc(F)c1 ZINC000148686825 562841660 /nfs/dbraw/zinc/84/16/60/562841660.db2.gz DPQSQXGBMAXUAP-FQEVSTJZSA-N 1 0 574.676 5.588 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148761048 562841792 /nfs/dbraw/zinc/84/17/92/562841792.db2.gz GERKWUCMHZITIS-UHFFFAOYSA-N 1 0 602.095 5.229 1 0 KKAFRO COc1c(C)cccc1C[N@@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148817661 562841811 /nfs/dbraw/zinc/84/18/11/562841811.db2.gz VVFHLEGKGYADNF-QHCPKHFHSA-N 1 0 501.067 5.325 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NCc3ccccc3)c2)CC1 ZINC000148804848 562841838 /nfs/dbraw/zinc/84/18/38/562841838.db2.gz FHBOTJCJFOSNER-UHFFFAOYSA-N 1 0 566.656 6.048 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2cc[nH]n2)n1 ZINC000148964061 562842031 /nfs/dbraw/zinc/84/20/31/562842031.db2.gz WYMKOXQOQLMVCR-UHFFFAOYSA-N 1 0 567.572 5.254 1 0 KKAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@@H]1OP(C)(C)=O ZINC000149208592 562842496 /nfs/dbraw/zinc/84/24/96/562842496.db2.gz JUDXZPPDZZPKEK-LKAHQIDLSA-N 1 0 532.503 5.577 1 0 KKAFRO C[NH+](C)CCN(Cc1ccccc1)c1nc2c(c(Br)c(Br)c(Br)c2Br)n1Cc1ccccc1 ZINC000164753399 562849736 /nfs/dbraw/zinc/84/97/36/562849736.db2.gz KVYCBDPHQJRSEH-UHFFFAOYSA-N 1 0 700.111 7.703 1 0 KKAFRO C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1OC(F)(F)F ZINC000150524460 562843702 /nfs/dbraw/zinc/84/37/02/562843702.db2.gz SQQCWAUDUKFTMP-PGUFJCEWSA-N 1 0 852.445 8.871 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(C)(=O)=O)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538921 562844076 /nfs/dbraw/zinc/84/40/76/562844076.db2.gz VKOHBAFPRYGTSG-UHFFFAOYSA-N 1 0 858.531 6.219 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584696 562845741 /nfs/dbraw/zinc/84/57/41/562845741.db2.gz NVFGXEZAWHBUBK-PZSMLTKBSA-N 1 0 757.877 5.958 1 0 KKAFRO C[NH+]1CC2(C1)CCN(c1ncccc1C(=O)Nc1ccc(C(=O)N3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)cc1)CC2 ZINC000150598948 562846910 /nfs/dbraw/zinc/84/69/10/562846910.db2.gz CRQBONWQODBTFP-UHFFFAOYSA-N 1 0 646.817 5.690 1 0 KKAFRO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599769 562847044 /nfs/dbraw/zinc/84/70/44/562847044.db2.gz CXUMJZPVJWIKRT-UHFFFAOYSA-N 1 0 640.231 5.499 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)[nH+]ccc3c2)c2cc(OC)ccc2F)c1 ZINC000150601784 562847268 /nfs/dbraw/zinc/84/72/68/562847268.db2.gz HFAMCQHCIOJEHJ-PQHLKRTFSA-N 1 0 649.745 5.842 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(cc[nH+]c3N)c2)c2ccc(OC)c(OC)c2)c1 ZINC000150601846 562847277 /nfs/dbraw/zinc/84/72/77/562847277.db2.gz JAXUEOKMIODUOS-DLFZDVPBSA-N 1 0 661.781 5.712 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604126 562847525 /nfs/dbraw/zinc/84/75/25/562847525.db2.gz HYMRCMPXDULDOD-PUCLRWMGSA-N 1 0 705.951 5.627 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604136 562847527 /nfs/dbraw/zinc/84/75/27/562847527.db2.gz LIRHQWJNEWJZFF-PSUXHBTPSA-N 1 0 734.005 6.230 1 0 KKAFRO C[NH+]1CCN(c2cccc(F)c2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606276 562847881 /nfs/dbraw/zinc/84/78/81/562847881.db2.gz HRPFCELYJVARIK-KAODMTDESA-N 1 0 664.892 5.428 1 0 KKAFRO CCCC[NH+]1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606219 562847890 /nfs/dbraw/zinc/84/78/90/562847890.db2.gz WOBWACBYJMRKDB-ILFWFZRHSA-N 1 0 674.956 6.416 1 0 KKAFRO C[NH+]1CCN(c2cc(F)ccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606257 562847892 /nfs/dbraw/zinc/84/78/92/562847892.db2.gz JQVJIZRMTCKEHP-AFPLUKJUSA-N 1 0 664.892 5.428 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529206 562849346 /nfs/dbraw/zinc/84/93/46/562849346.db2.gz ZOZVPIRGEIVLGJ-QFIPXVFZSA-N 1 0 649.722 5.215 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4cccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)c4)c3)CC2)nn1C ZINC000163657261 562849397 /nfs/dbraw/zinc/84/93/97/562849397.db2.gz INVRHWDUKKEWBU-SWBIORQWSA-N 1 0 653.803 5.375 1 0 KKAFRO C[NH+](C)C[C@@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@@H](O)c1ccccc1 ZINC000164752574 562849705 /nfs/dbraw/zinc/84/97/05/562849705.db2.gz FAPXOLFYGWNEHZ-ZMZPIMSZSA-N 1 0 640.012 5.936 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000165264319 562849969 /nfs/dbraw/zinc/84/99/69/562849969.db2.gz AAXCSAUROUOWAI-UHFFFAOYSA-N 1 0 643.718 6.395 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000165265685 562849985 /nfs/dbraw/zinc/84/99/85/562849985.db2.gz ZYUXDSFZIBUVHM-UHFFFAOYSA-N 1 0 643.718 6.395 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4cc[nH+]cc4)CC3)nc12 ZINC000166171283 562850332 /nfs/dbraw/zinc/85/03/32/562850332.db2.gz QKKQQWJYFMEBOO-UHFFFAOYSA-N 1 0 614.636 5.437 1 0 KKAFRO CC(C)[NH+]1CCN(CC(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1 ZINC000166699783 562850524 /nfs/dbraw/zinc/85/05/24/562850524.db2.gz ZKNOTFQILSPCMY-UHFFFAOYSA-N 1 0 585.606 5.627 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000166980440 562850569 /nfs/dbraw/zinc/85/05/69/562850569.db2.gz GAVSAOOAIYZEHU-SANMLTNESA-N 1 0 594.613 6.168 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000167074512 562850612 /nfs/dbraw/zinc/85/06/12/562850612.db2.gz NNDFRIHFDHSKHD-SANMLTNESA-N 1 0 587.522 5.773 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000167074615 562850627 /nfs/dbraw/zinc/85/06/27/562850627.db2.gz NNDFRIHFDHSKHD-AREMUKBSSA-N 1 0 587.522 5.773 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168437340 562851430 /nfs/dbraw/zinc/85/14/30/562851430.db2.gz TZVXNNVFMGZHLT-KARZDMNSSA-N 1 0 525.637 5.259 1 0 KKAFRO CN(C)c1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000168807267 562851552 /nfs/dbraw/zinc/85/15/52/562851552.db2.gz GPEOXJGBWGMANI-WOVMCDHWSA-N 1 0 602.477 5.306 1 0 KKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169294861 562852305 /nfs/dbraw/zinc/85/23/05/562852305.db2.gz ZSYUYCGOXXOFOB-IZZNHLLZSA-N 1 0 548.609 5.977 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298325 562852665 /nfs/dbraw/zinc/85/26/65/562852665.db2.gz GYHHALPUXKNWQM-KMYPOQQFSA-N 1 0 551.042 6.058 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@H]1c1ccccc1 ZINC000169304066 562853273 /nfs/dbraw/zinc/85/32/73/562853273.db2.gz SAFQJLYRLZHJBX-VWLOTQADSA-N 1 0 561.526 6.874 3 0 KKAFRO O=C([C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306838 562853637 /nfs/dbraw/zinc/85/36/37/562853637.db2.gz XGDFIEWICBHNDB-SLGZMBILSA-N 1 0 553.121 7.350 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(OC)c(F)c3)cc2)nn1C ZINC000169308198 562854041 /nfs/dbraw/zinc/85/40/41/562854041.db2.gz YVNOLEJUPYAEHO-UHFFFAOYSA-N 1 0 618.750 7.569 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nn1C ZINC000169308193 562854047 /nfs/dbraw/zinc/85/40/47/562854047.db2.gz HRRAPMWPLALIBT-UHFFFAOYSA-N 1 0 588.724 7.560 1 0 KKAFRO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310155 562854685 /nfs/dbraw/zinc/85/46/85/562854685.db2.gz UWULGUFSFZJDEY-JLELKNTQSA-N 1 0 580.685 5.231 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000169311234 562855034 /nfs/dbraw/zinc/85/50/34/562855034.db2.gz JMRRKKLKCKJNAQ-UHFFFAOYSA-N 1 0 510.560 5.266 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312238 562855323 /nfs/dbraw/zinc/85/53/23/562855323.db2.gz NUZXKZLGVSJZQL-JDXGNMNLSA-N 1 0 514.691 6.854 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317802 562856028 /nfs/dbraw/zinc/85/60/28/562856028.db2.gz CZVLXTAHCSHXFS-RDGATRHJSA-N 1 0 527.505 6.606 1 0 KKAFRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317496 562855978 /nfs/dbraw/zinc/85/59/78/562855978.db2.gz GLCDSMRSFSVQSW-SHQCIBLASA-N 1 0 516.560 5.546 1 0 KKAFRO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317786 562856053 /nfs/dbraw/zinc/85/60/53/562856053.db2.gz DTCLOSIOZCFUAJ-RBJSKKJNSA-N 1 0 515.572 6.180 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317800 562856056 /nfs/dbraw/zinc/85/60/56/562856056.db2.gz CZVLXTAHCSHXFS-RCZVLFRGSA-N 1 0 527.505 6.606 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5cccnc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321704 562856722 /nfs/dbraw/zinc/85/67/22/562856722.db2.gz PWIWFWREUGTRPM-UHFFFAOYSA-N 1 0 547.634 6.129 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000169321786 562856754 /nfs/dbraw/zinc/85/67/54/562856754.db2.gz SHFNIISRGKKENH-UHFFFAOYSA-N 1 0 561.570 7.616 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169324455 562857380 /nfs/dbraw/zinc/85/73/80/562857380.db2.gz BLQDWSJAPJPBQS-UHFFFAOYSA-N 1 0 626.245 8.036 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1c(I)cc(I)cc1-2 ZINC000221682031 562879133 /nfs/dbraw/zinc/87/91/33/562879133.db2.gz HVSFSZIVXAAAGO-MRXNPFEDSA-N 1 0 640.757 6.633 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCc5ncccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327459 562858100 /nfs/dbraw/zinc/85/81/00/562858100.db2.gz UGHYNFYBSSXCOO-PTUXOGIPSA-N 1 0 531.726 5.712 1 0 KKAFRO CN1c2ccc(F)cc2C2(CC[NH+](CCC[C@@](C)(C(=O)N[C@H](C(=O)NCC[NH3+])c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)OC1=O ZINC000169332287 562859123 /nfs/dbraw/zinc/85/91/23/562859123.db2.gz CJBOWGIXYJGLGQ-BFGHFXMOSA-N 1 0 684.640 5.681 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(I)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333349 562859250 /nfs/dbraw/zinc/85/92/50/562859250.db2.gz RAAGTWXRBVJIIJ-DEOSSOPVSA-N 1 0 571.330 7.749 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169333342 562859279 /nfs/dbraw/zinc/85/92/79/562859279.db2.gz ZPNZDUUZGRQPAK-XMMPIXPASA-N 1 0 513.431 8.163 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(I)ccc21 ZINC000169333576 562859319 /nfs/dbraw/zinc/85/93/19/562859319.db2.gz QEFOTVFMCYTRBX-RUZDIDTESA-N 1 0 536.885 7.095 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc21 ZINC000169333932 562859399 /nfs/dbraw/zinc/85/93/99/562859399.db2.gz AFPLMZWVTFSQHI-LJAQVGFWSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(OC)ccc21 ZINC000169333918 562859414 /nfs/dbraw/zinc/85/94/14/562859414.db2.gz WCUVKOOSBQKUGL-SSEXGKCCSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334055 562859423 /nfs/dbraw/zinc/85/94/23/562859423.db2.gz PSHHPVBEOOCKRH-XMMPIXPASA-N 1 0 609.438 8.746 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(Cl)cc21 ZINC000169334599 562859521 /nfs/dbraw/zinc/85/95/21/562859521.db2.gz OCFAPIBWWLMVPN-QHCPKHFHSA-N 1 0 528.351 8.759 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335746 562859668 /nfs/dbraw/zinc/85/96/68/562859668.db2.gz COHWQDIPDHDDLR-WJOKGBTCSA-N 1 0 527.580 9.218 1 0 KKAFRO CC(C)CCC[N@H+](CCC(C)C)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336021 562859774 /nfs/dbraw/zinc/85/97/74/562859774.db2.gz WCYISUHZAVDJIH-HSZRJFAPSA-N 1 0 504.559 7.604 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Oc2cc(Cl)cc(Cl)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169336895 562859900 /nfs/dbraw/zinc/85/99/00/562859900.db2.gz KABFOAMIRWOCKD-AREMUKBSSA-N 1 0 529.335 9.181 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc21 ZINC000169337020 562859908 /nfs/dbraw/zinc/85/99/08/562859908.db2.gz CVGHRMYGCQCKJY-AREMUKBSSA-N 1 0 506.901 7.967 1 0 KKAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](c2ccccc2)C[N@@H+](C)CC3)ncc1Cl ZINC000169345214 562861589 /nfs/dbraw/zinc/86/15/89/562861589.db2.gz IMLPTVNOQPZHSM-DEOSSOPVSA-N 1 0 513.045 5.597 1 0 KKAFRO CCOC(=O)/C=C/C(=O)Nc1cccc(CCC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346318 562861753 /nfs/dbraw/zinc/86/17/53/562861753.db2.gz NJSNAKJFFPLGPW-QFCVXZHASA-N 1 0 502.655 5.141 1 0 KKAFRO CN(C)S(=O)(=O)c1ccc(O)c2c1C1(CN2c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[NH+](CC(C)(C)C)CC1 ZINC000169348359 562862153 /nfs/dbraw/zinc/86/21/53/562862153.db2.gz ZKXJRRWGMUIFHW-UHFFFAOYSA-N 1 0 675.774 6.717 1 0 KKAFRO CN1C(=O)OC2(CC[NH+](CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169348419 562862242 /nfs/dbraw/zinc/86/22/42/562862242.db2.gz NJRDJJXQKVSGAM-QTQRRKOQSA-N 1 0 699.651 5.584 1 0 KKAFRO CC[C@@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348480 562862279 /nfs/dbraw/zinc/86/22/79/562862279.db2.gz OZSTZBYOVXBASP-CPBHLAHYSA-N 1 0 626.842 6.101 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350701 562862915 /nfs/dbraw/zinc/86/29/15/562862915.db2.gz RGVRGSUCXNJFEX-UHFFFAOYSA-N 1 0 641.675 6.285 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350697 562862919 /nfs/dbraw/zinc/86/29/19/562862919.db2.gz FRFNHPYRKFRMMZ-UHFFFAOYSA-N 1 0 691.682 7.165 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H](CC3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353009 562863342 /nfs/dbraw/zinc/86/33/42/562863342.db2.gz HNXDRVRHYNDYLW-UUWRZZSWSA-N 1 0 617.797 8.778 1 0 KKAFRO CCCCCC[P@](=O)(COc1ccc(CC[NH+](C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000169357115 562863900 /nfs/dbraw/zinc/86/39/00/562863900.db2.gz HGLRSGVEGXDYFV-KDBCYLSHSA-N 1 0 819.937 6.583 1 0 KKAFRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000169361172 562864194 /nfs/dbraw/zinc/86/41/94/562864194.db2.gz RTJZMWSCHLSZOW-GRKNLSHJSA-N 1 0 591.196 6.780 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362671 562864273 /nfs/dbraw/zinc/86/42/73/562864273.db2.gz GRZGPYMYCGWTKZ-MXSCXNJPSA-N 1 0 536.713 5.421 1 0 KKAFRO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1OC ZINC000169362983 562864299 /nfs/dbraw/zinc/86/42/99/562864299.db2.gz XLAYTQSXXHBEQX-QRRWFCJLSA-N 1 0 596.680 5.972 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@@H](C[C@@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000169370434 562864765 /nfs/dbraw/zinc/86/47/65/562864765.db2.gz VEPNEHUJRMVZLF-ABYGYWHVSA-N 1 0 501.715 5.668 1 0 KKAFRO CC(=O)OC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697635 562866496 /nfs/dbraw/zinc/86/64/96/562866496.db2.gz DKADWWCHCFQWRZ-UHFFFAOYSA-N 1 0 575.673 5.350 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+]C2(CCCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700235 562867652 /nfs/dbraw/zinc/86/76/52/562867652.db2.gz UVWMOYGSAUBCGS-NGYPPSJLSA-N 1 0 574.524 5.591 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cc(C)ccc1Cl)CC2 ZINC000169702196 562868257 /nfs/dbraw/zinc/86/82/57/562868257.db2.gz XKEOWGKPMORJIB-UHFFFAOYSA-N 1 0 572.113 5.181 1 0 KKAFRO CCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CCCC[C@@H]3[NH3+])c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703485 562868784 /nfs/dbraw/zinc/86/87/84/562868784.db2.gz CYCWYBGIVJMKOW-BDYUSTAISA-N 1 0 504.638 5.584 1 0 KKAFRO CCc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CCCC[C@H]3[NH3+])c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703486 562868793 /nfs/dbraw/zinc/86/87/93/562868793.db2.gz CYCWYBGIVJMKOW-XNMGPUDCSA-N 1 0 504.638 5.584 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169704535 562869018 /nfs/dbraw/zinc/86/90/18/562869018.db2.gz RRIHVAFUFDANEX-RUZDIDTESA-N 1 0 527.974 6.509 3 0 KKAFRO COc1ccc(C[NH3+])cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705389 562869295 /nfs/dbraw/zinc/86/92/95/562869295.db2.gz ZESYAYINYFJRIY-HHHXNRCGSA-N 1 0 549.502 7.272 1 0 KKAFRO [NH3+]C1(c2ccc(-n3c4nc(-c5cccc(N6CCOCC6)c5)ccc4nc3C3CCCCC3)cc2)CCC1 ZINC000169705880 562869755 /nfs/dbraw/zinc/86/97/55/562869755.db2.gz JPLVXMRQCGJXDF-UHFFFAOYSA-N 1 0 507.682 6.310 1 0 KKAFRO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000169710795 562870704 /nfs/dbraw/zinc/87/07/04/562870704.db2.gz PAHDMNWZEBXEGD-NDEPHWFRSA-N 1 0 604.213 5.300 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5C[NH+](C(C)C)C5)cc4)c3)c(OC)cc21 ZINC000169711544 562871010 /nfs/dbraw/zinc/87/10/10/562871010.db2.gz VVPWBINIRDMDJM-UHFFFAOYSA-N 1 0 513.598 5.085 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000169711551 562871040 /nfs/dbraw/zinc/87/10/40/562871040.db2.gz DIAZYTDADGPXJC-UHFFFAOYSA-N 1 0 555.679 6.255 1 0 KKAFRO COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000200054167 562873303 /nfs/dbraw/zinc/87/33/03/562873303.db2.gz IZPYTCMIIAEYJH-HHHXNRCGSA-N 1 0 607.677 5.850 1 0 KKAFRO CC[NH+](CC)Cc1ccc(OCC[C@H]2CC[C@@H]3[C@@H]4[C@H](C)Cc5cc(O)ccc5[C@H]4CC[C@]23C)c(OC)c1 ZINC000201709911 562873543 /nfs/dbraw/zinc/87/35/43/562873543.db2.gz OHCPNHFLPCVWRG-AVKHQFICSA-N 1 0 505.743 7.430 1 0 in-man KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCC[NH+]5CCCC5)cc4)n[nH]3)cc2)no1 ZINC000205300980 562875078 /nfs/dbraw/zinc/87/50/78/562875078.db2.gz SDJUYCKHPFYMQD-UHFFFAOYSA-N 1 0 571.682 6.123 1 0 KKAFRO C[NH+]1CCC(N[C@@H](Cc2ccccc2)C(=O)NCC(c2ccccc2)c2ccccc2)(C(=O)NC2CCCCC2)CC1 ZINC000205714009 562875721 /nfs/dbraw/zinc/87/57/21/562875721.db2.gz PMSMKNLEQABZPX-XIFFEERXSA-N 1 0 566.790 5.049 3 0 KKAFRO CC[C@H](C)OC(=O)c1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000206407597 562876444 /nfs/dbraw/zinc/87/64/44/562876444.db2.gz FSXWOYZHDRWNTD-IBGZPJMESA-N 1 0 540.595 5.806 1 0 KKAFRO CO[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)C)cc3F)n2)C[C@@H]1C ZINC000207149228 562876635 /nfs/dbraw/zinc/87/66/35/562876635.db2.gz KEQAECANTREWKS-XNTIZDRCSA-N 1 0 512.576 5.792 1 0 KKAFRO CC[NH+](CC)CCCCOc1c(=O)c2c(OC)cc(OC)cc2oc1-c1cc(OC)c(OC)c(OC)c1 ZINC000209653978 562876953 /nfs/dbraw/zinc/87/69/53/562876953.db2.gz NXOSWWNEGXBKSA-UHFFFAOYSA-N 1 0 515.603 5.004 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4oc(-c5ccccc5)nc4C)ccc32)c1C ZINC000218196570 562877848 /nfs/dbraw/zinc/87/78/48/562877848.db2.gz NBBMZTLXNSCOJF-BWAHOGKJSA-N 1 0 537.664 5.826 1 0 KKAFRO CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(C[NH+](C)C)cc1 ZINC000219346857 562878029 /nfs/dbraw/zinc/87/80/29/562878029.db2.gz JRJWMURUNQTVCO-UHFFFAOYSA-N 1 0 504.030 7.057 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221457631 562878969 /nfs/dbraw/zinc/87/89/69/562878969.db2.gz AKQSCHLJARNVMJ-UHFFFAOYSA-N 1 0 555.723 6.425 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1-2 ZINC000221683484 562879114 /nfs/dbraw/zinc/87/91/14/562879114.db2.gz ISNGGYJEKNJOEO-INIZCTEOSA-N 1 0 546.757 6.949 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222195486 562879789 /nfs/dbraw/zinc/87/97/89/562879789.db2.gz CODZLYDUWWEMOC-UHFFFAOYSA-N 1 0 678.687 7.590 1 0 KKAFRO CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222890810 562879949 /nfs/dbraw/zinc/87/99/49/562879949.db2.gz RMDVUUFETKJUDW-AREMUKBSSA-N 1 0 607.681 5.250 1 0 KKAFRO [NH3+][C@H](CNc1nc(-c2ccnc(NC(=O)c3cccs3)c2)nc2ccsc21)Cc1ccc(C(F)(F)F)cc1 ZINC000223685858 562880176 /nfs/dbraw/zinc/88/01/76/562880176.db2.gz GYKCIVWHQBSEHL-SFHVURJKSA-N 1 0 554.623 6.068 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)[C@H]2c3cccc(OCCC4CC[NH+](C)CC4)c3CC(C)(C)N2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1 ZINC000224070562 562880260 /nfs/dbraw/zinc/88/02/60/562880260.db2.gz AAGUCZQYYJDCSS-HIBWLQEVSA-N 1 0 744.268 6.299 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CC[NH+](C)C)c1)C2=O ZINC000224096346 562880340 /nfs/dbraw/zinc/88/03/40/562880340.db2.gz IFRLFSYFJZFISV-NDEPHWFRSA-N 1 0 580.516 5.784 1 0 KKAFRO CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41C[N@@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000253634020 562882124 /nfs/dbraw/zinc/88/21/24/562882124.db2.gz MOSIRVPMEDLWCZ-NHCJTOIWSA-N 1 0 583.729 5.021 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 ZINC000253655925 562882660 /nfs/dbraw/zinc/88/26/60/562882660.db2.gz MZAFRLYMPQCVGG-GCFVYEKYSA-N 1 0 529.729 5.400 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cc1-c1ccc(OC(C)=O)cc1 ZINC000299823736 562883052 /nfs/dbraw/zinc/88/30/52/562883052.db2.gz UCMIPZWVVYMYML-UHFFFAOYSA-N 1 0 550.655 6.680 1 0 KKAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)sc1C ZINC000299824944 562883432 /nfs/dbraw/zinc/88/34/32/562883432.db2.gz FCNFVEJKQISIMT-VWLOTQADSA-N 1 0 545.671 5.714 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299825315 562883519 /nfs/dbraw/zinc/88/35/19/562883519.db2.gz BWXLACRVVOIEGS-UHFFFAOYSA-N 1 0 580.733 5.233 1 0 KKAFRO CN1CC[NH+](CCCCn2c3ccc(-c4nc5cc(N6CCOCC6)ccc5[nH]4)cc3c3cc(-c4nc5cc(N6CCOCC6)ccc5[nH]4)ccc32)CC1 ZINC000299827714 562884195 /nfs/dbraw/zinc/88/41/95/562884195.db2.gz HHNKNOPIOKMPSB-UHFFFAOYSA-N 1 0 723.926 6.582 1 0 KKAFRO FC(F)(F)c1cc(-n2cc(CN3CC[NH+](C4CCCCC4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299828088 562884327 /nfs/dbraw/zinc/88/43/27/562884327.db2.gz GVPLVRZELOGWPN-UHFFFAOYSA-N 1 0 512.502 5.303 1 0 KKAFRO C[NH+](C)CCNC(=O)[C@@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299828070 562884353 /nfs/dbraw/zinc/88/43/53/562884353.db2.gz GUBQEQSMHAYLBR-SSEXGKCCSA-N 1 0 589.658 5.970 1 0 KKAFRO O=C(CN(CC(=O)N1CCC(c2ccccc2)CC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000299828625 562884560 /nfs/dbraw/zinc/88/45/60/562884560.db2.gz KHJRVIYMDMYOJV-UHFFFAOYSA-N 1 0 609.598 6.210 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299829710 562884971 /nfs/dbraw/zinc/88/49/71/562884971.db2.gz LBJKNEGMYYAQFS-UHFFFAOYSA-N 1 0 557.551 7.761 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)c(NC(C)=O)c4)cc3)ccc2OC)c1 ZINC000299839594 562888270 /nfs/dbraw/zinc/88/82/70/562888270.db2.gz SPLTWGXDTZYLPF-UHFFFAOYSA-N 1 0 579.697 6.722 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299839717 562888274 /nfs/dbraw/zinc/88/82/74/562888274.db2.gz SSTXDVBWKHFYAU-UHFFFAOYSA-N 1 0 703.771 7.390 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)c(Cl)c4)cc3)ccc2OC)c1 ZINC000299839974 562888383 /nfs/dbraw/zinc/88/83/83/562888383.db2.gz UHOFCFKSBAPXCO-UHFFFAOYSA-N 1 0 557.090 7.417 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299840182 562888437 /nfs/dbraw/zinc/88/84/37/562888437.db2.gz VNXKXHPNCGBZAW-UHFFFAOYSA-N 1 0 706.750 6.282 1 0 KKAFRO O=S(=O)(NC[C@H]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc3[C@H]2Cc2cccnc2)CC1)c1ccccc1 ZINC000299847475 562889929 /nfs/dbraw/zinc/88/99/29/562889929.db2.gz QVZPBSHMFRXZBI-ALIATHRISA-N 1 0 521.702 5.236 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@@H]2Cc1ccccc1 ZINC000299847894 562890108 /nfs/dbraw/zinc/89/01/08/562890108.db2.gz WUTQPANFUKXCKM-NUPMYGGLSA-N 1 0 582.810 6.864 1 0 KKAFRO CCOc1ccc(-c2nc(NC(=O)[C@H]([NH3+])Cc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299852472 562890950 /nfs/dbraw/zinc/89/09/50/562890950.db2.gz SODAHDFREADLLV-JOCHJYFZSA-N 1 0 533.650 5.410 1 0 KKAFRO CC[NH+](CC)CCOc1c(I)cc(C(=O)c2c(CC[C@@H](C)O)oc3ccccc32)cc1I ZINC000299853251 562891146 /nfs/dbraw/zinc/89/11/46/562891146.db2.gz IIOUFGJTYMDOPR-MRXNPFEDSA-N 1 0 661.318 5.907 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CC[NH2+]C3CCCCC3)O5)ccc2OC)c1 ZINC000299854679 562891426 /nfs/dbraw/zinc/89/14/26/562891426.db2.gz AJFKBZPXUNLHJB-LJAQVGFWSA-N 1 0 597.668 5.741 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CC[NH2+]C3CCCCC3)O5)ccc2OC)c1 ZINC000299854676 562891436 /nfs/dbraw/zinc/89/14/36/562891436.db2.gz AJFKBZPXUNLHJB-GDLZYMKVSA-N 1 0 597.668 5.741 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3cc(C(F)(F)F)ccc32)C1 ZINC000299854882 562891502 /nfs/dbraw/zinc/89/15/02/562891502.db2.gz AONRERQBBIHFMX-HYZYYIOASA-N 1 0 538.576 7.081 1 0 KKAFRO CC[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 ZINC000299859152 562892621 /nfs/dbraw/zinc/89/26/21/562892621.db2.gz HRFPOOBZYGYGFI-NFTORANTSA-N 1 0 607.555 7.784 1 0 KKAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000299862340 562893572 /nfs/dbraw/zinc/89/35/72/562893572.db2.gz JMXSXBDDJQXSOT-YTTGMZPUSA-N 1 0 544.784 5.458 1 0 KKAFRO C[NH+](C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864793 562894218 /nfs/dbraw/zinc/89/42/18/562894218.db2.gz MVEOKWWWGIPPQA-TUHHXPBESA-N 1 0 545.683 5.792 1 0 KKAFRO O=C1NC(=O)N(C2CC[NH+](CC34CC5CC(CC(C5)C3)C4)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000299864953 562894255 /nfs/dbraw/zinc/89/42/55/562894255.db2.gz SHGPBMGKPZQXEH-AFPOQEROSA-N 1 0 628.795 5.146 1 0 KKAFRO COc1cc2c(cc1Br)[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865959 562894542 /nfs/dbraw/zinc/89/45/42/562894542.db2.gz UXFGCCXECAOESJ-VSPZVVOISA-N 1 0 593.528 7.394 1 0 KKAFRO C[NH+](C)[C@@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867329 562894882 /nfs/dbraw/zinc/89/48/82/562894882.db2.gz QELXIUMTFWOZOW-AREMUKBSSA-N 1 0 548.518 6.876 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000299867401 562894891 /nfs/dbraw/zinc/89/48/91/562894891.db2.gz XXRXVKFWWCNTPS-HYZYYIOASA-N 1 0 505.024 6.716 1 0 KKAFRO CC[NH+](CC)CCCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000299869525 562895348 /nfs/dbraw/zinc/89/53/48/562895348.db2.gz UWEFOOGJQYIGJA-UHFFFAOYSA-N 1 0 521.492 7.972 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299870691 562895506 /nfs/dbraw/zinc/89/55/06/562895506.db2.gz WSGCGGATBVZWKD-ZEWDBUAUSA-N 1 0 571.721 6.326 1 0 KKAFRO CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@@H](C(=O)OC/C=C/c5ccccc5)[C@]5(CCC[C@@H](C)O5)NC(=[NH+]2)N43)O1 ZINC000377474303 562895920 /nfs/dbraw/zinc/89/59/20/562895920.db2.gz JFNBLCCNKKPPIU-WEEARDLZSA-N 1 0 519.686 5.182 1 0 KKAFRO Cc1[nH]c2ccc(Br)cc2c1CC[NH+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000473081477 562896665 /nfs/dbraw/zinc/89/66/65/562896665.db2.gz CLXFOEGFXIBPQE-UHFFFAOYSA-N 1 0 502.283 7.791 1 0 KKAFRO CN1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@H](c2ccccc2)C1 ZINC000473082483 562896703 /nfs/dbraw/zinc/89/67/03/562896703.db2.gz IIUNRDLMIHCWET-LJAQVGFWSA-N 1 0 607.763 5.391 1 0 KKAFRO CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@H]2c1ccc(N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000473083654 562896837 /nfs/dbraw/zinc/89/68/37/562896837.db2.gz PARRFIAYDACNFT-NDEPHWFRSA-N 1 0 572.065 5.803 1 0 KKAFRO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3[N@H+](C)C[C@H]2c1ccccc1)OCO4 ZINC000473085185 562896931 /nfs/dbraw/zinc/89/69/31/562896931.db2.gz VOXGFSUNUJCBDG-IZZNHLLZSA-N 1 0 570.483 7.107 1 0 KKAFRO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3[N@H+](C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085172 562896945 /nfs/dbraw/zinc/89/69/45/562896945.db2.gz VOXGFSUNUJCBDG-CLJLJLNGSA-N 1 0 570.483 7.107 1 0 KKAFRO CCCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086811 562897095 /nfs/dbraw/zinc/89/70/95/562897095.db2.gz CUSMDTSIZNVXNX-SSEXGKCCSA-N 1 0 529.725 6.154 1 0 KKAFRO CCOC(=O)CCCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087494 562897153 /nfs/dbraw/zinc/89/71/53/562897153.db2.gz FOFIZPPIHKXHNV-YTTGMZPUSA-N 1 0 601.788 6.088 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCC[NH+]2CCOCC2)COC1=O ZINC000473087904 562897215 /nfs/dbraw/zinc/89/72/15/562897215.db2.gz MEYWRAKHLLFFCD-MTZNQXOKSA-N 1 0 737.843 5.746 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCC[NH+]2CCN(CCO)CC2)COC1=O ZINC000473088693 562897330 /nfs/dbraw/zinc/89/73/30/562897330.db2.gz PNGLGPNEDDTOPR-NRINARKRSA-N 1 0 780.912 5.024 1 0 KKAFRO Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c2[n+](c(C)c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 ZINC000473094018 562897816 /nfs/dbraw/zinc/89/78/16/562897816.db2.gz UXKLMJWARJOAHP-UHFFFAOYSA-O 1 0 578.821 7.493 1 0 KKAFRO CC(C)[C@H]1C[NH+]=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21 ZINC000473107595 562898346 /nfs/dbraw/zinc/89/83/46/562898346.db2.gz JJDYDYIGQQPOAJ-LHHUKBANSA-N 1 0 520.721 5.369 1 0 KKAFRO O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 ZINC000473108887 562898445 /nfs/dbraw/zinc/89/84/45/562898445.db2.gz PPJHFLILDOHJMC-HHHXNRCGSA-N 1 0 558.591 6.338 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000473115379 562899029 /nfs/dbraw/zinc/89/90/29/562899029.db2.gz SKDGVSHKHIHUQY-XHNBAOFPSA-N 1 0 715.895 5.685 1 0 KKAFRO CC[N@H+](CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473115872 562899072 /nfs/dbraw/zinc/89/90/72/562899072.db2.gz UZWFCPNNTSFTBG-UHFFFAOYSA-N 1 0 547.648 6.176 1 0 KKAFRO CC[N@H+](CCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117621 562899227 /nfs/dbraw/zinc/89/92/27/562899227.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 1 0 519.594 5.482 1 0 KKAFRO CCCSc1ccc([C@@H](O)[C@@]2(C)C[C@]34C=C[C@]2(OC)[C@@H]2Oc5c6c(ccc5O)C[C@H]3[N@@H+](CC3CC3)CC[C@]624)cc1 ZINC000473135216 562900655 /nfs/dbraw/zinc/90/06/55/562900655.db2.gz MMYCYZRNWNMOQF-GQQMUFKYSA-N 1 0 559.772 6.019 1 0 KKAFRO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@H+](CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1 ZINC000473136259 562900984 /nfs/dbraw/zinc/90/09/84/562900984.db2.gz OVKBSFKFSBQCLW-GDLZYMKVSA-N 1 0 591.797 5.584 1 0 KKAFRO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@H+](CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1 ZINC000473136260 562900991 /nfs/dbraw/zinc/90/09/91/562900991.db2.gz OVKBSFKFSBQCLW-LJAQVGFWSA-N 1 0 591.797 5.584 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccc(OC)cc2)C(C)C)C(C)C)ccc1OC ZINC000473150886 562901607 /nfs/dbraw/zinc/90/16/07/562901607.db2.gz NAMGFQIZJVSXOE-BBXFGWPUSA-N 1 0 628.895 6.060 1 0 KKAFRO CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000473165342 562902956 /nfs/dbraw/zinc/90/29/56/562902956.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 1 0 528.480 5.576 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179744 562903489 /nfs/dbraw/zinc/90/34/89/562903489.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 1 0 538.088 5.321 1 0 KKAFRO O=C([O-])CC[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 ZINC000473215209 562903962 /nfs/dbraw/zinc/90/39/62/562903962.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 1 0 518.746 6.565 1 0 KKAFRO C[NH+](C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220513 562904084 /nfs/dbraw/zinc/90/40/84/562904084.db2.gz HRFIDHIKBHCVPR-ZSRYVLJCSA-N 1 0 793.300 6.146 1 0 KKAFRO O=C([O-])C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215521 562904095 /nfs/dbraw/zinc/90/40/95/562904095.db2.gz WWRGSCYDLPRKQG-WCSHMYRTSA-N 1 0 532.773 6.292 1 0 KKAFRO CCN(c1cc(-c2cccc3cccnc32)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243758 562904746 /nfs/dbraw/zinc/90/47/46/562904746.db2.gz AAKRZIILEKOOQK-QVYRIUEQSA-N 1 0 565.762 6.557 1 0 KKAFRO CCN(c1cc(-c2cnc(C)cn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243881 562904794 /nfs/dbraw/zinc/90/47/94/562904794.db2.gz DBJMXRJCUHUFBX-SOAUALDESA-N 1 0 530.717 5.107 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCc4cccnc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608920 562905524 /nfs/dbraw/zinc/90/55/24/562905524.db2.gz MZNPVXAGVODRHG-PMERELPUSA-N 1 0 536.676 5.169 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C)cc3)c(=O)n2C)cc1F ZINC000474609315 562905562 /nfs/dbraw/zinc/90/55/62/562905562.db2.gz PHJDVAQGVCNRBI-UHFFFAOYSA-N 1 0 668.770 5.550 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609552 562905604 /nfs/dbraw/zinc/90/56/04/562905604.db2.gz QTDUAVIOODNWJG-HKBQPEDESA-N 1 0 535.688 5.774 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4ccccc4Br)[nH]3)ccc21 ZINC000474609882 562905728 /nfs/dbraw/zinc/90/57/28/562905728.db2.gz WQLLQLZJVJCZOZ-MHZLTWQESA-N 1 0 521.434 6.156 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000584905463 562905875 /nfs/dbraw/zinc/90/58/75/562905875.db2.gz WJKWCGYIPOTSBR-UHFFFAOYSA-N 1 0 529.040 5.959 1 0 in-vitro KKAFRO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(-c5ccc(C(=O)NCC[NH+](C)C)cc5)n4)o3)nc2s1 ZINC000653667446 562906035 /nfs/dbraw/zinc/90/60/35/562906035.db2.gz WJVXJQZBLSCHQL-UHFFFAOYSA-N 1 0 604.714 5.215 1 0 KKAFRO CC1CC[NH+](CCCC[C@H]2CCCc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc32)CC1 ZINC000653693427 562906873 /nfs/dbraw/zinc/90/68/73/562906873.db2.gz ISUYGHCIKXNJMF-NDEPHWFRSA-N 1 0 573.822 7.310 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000653699597 562907275 /nfs/dbraw/zinc/90/72/75/562907275.db2.gz IXLSBDXBCUSOJH-BHVANESWSA-N 1 0 557.694 6.925 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1C[NH+](C)C ZINC000653699584 562907277 /nfs/dbraw/zinc/90/72/77/562907277.db2.gz CNKNQPUXMDIQIR-SSKOMTKWSA-N 1 0 533.466 5.596 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706352 562907835 /nfs/dbraw/zinc/90/78/35/562907835.db2.gz VXGARKPAVLJQQY-HHHXNRCGSA-N 1 0 626.633 5.098 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3cccc(Cl)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706357 562907840 /nfs/dbraw/zinc/90/78/40/562907840.db2.gz ZQXNMLIVVBSEFV-SSEXGKCCSA-N 1 0 591.200 5.502 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccc(Br)cc2C[C@@H]1C[NH+](C)C ZINC000653712825 562908184 /nfs/dbraw/zinc/90/81/84/562908184.db2.gz SVUVVRCUYJEPCS-NRZUKODWSA-N 1 0 596.363 6.522 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)[C@@H]([NH3+])CC2 ZINC000653724639 562908945 /nfs/dbraw/zinc/90/89/45/562908945.db2.gz VVTGYZYHWDWRMP-QHCPKHFHSA-N 1 0 530.094 5.359 1 0 KKAFRO CS(=O)(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653725347 562909023 /nfs/dbraw/zinc/90/90/23/562909023.db2.gz GGTYXCXPJIZXPX-UHFFFAOYSA-N 1 0 592.647 5.415 1 0 KKAFRO CC[C@H](C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(C3CC[NH2+]CC3)cc2OC(C)C)ncc1Cl ZINC000653745171 562910354 /nfs/dbraw/zinc/91/03/54/562910354.db2.gz XSVGIEWPPRGQHN-SFHVURJKSA-N 1 0 576.167 5.486 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4F)cc32)c1C ZINC000653756225 562911008 /nfs/dbraw/zinc/91/10/08/562911008.db2.gz PIHXZNAVIVCVLL-NKFKGCMQSA-N 1 0 540.643 5.188 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000653757849 562911126 /nfs/dbraw/zinc/91/11/26/562911126.db2.gz ONQHIKASFHKSEY-XUKKOYCFSA-N 1 0 582.708 5.852 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000653773204 562911849 /nfs/dbraw/zinc/91/18/49/562911849.db2.gz SLABCXCVYCKPSQ-VEILYXNESA-N 1 0 560.702 5.725 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781588 562912138 /nfs/dbraw/zinc/91/21/38/562912138.db2.gz IBNQBKRLBKSIKI-LQJZCPKCSA-N 1 0 501.654 5.405 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781589 562912143 /nfs/dbraw/zinc/91/21/43/562912143.db2.gz IBNQBKRLBKSIKI-SAIUNTKASA-N 1 0 501.654 5.405 1 0 KKAFRO CCCNC(=O)C1CCN(C(=O)c2c(C[NH2+]Cc3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786081 562912388 /nfs/dbraw/zinc/91/23/88/562912388.db2.gz MBTCZNMFLQOBHC-UHFFFAOYSA-N 1 0 558.748 5.428 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000653786110 562912422 /nfs/dbraw/zinc/91/24/22/562912422.db2.gz VBIIJIMQUUULLK-UHFFFAOYSA-N 1 0 626.136 7.136 1 0 KKAFRO C[C@@]12CCN(C(=O)C[n+]3cn(Cc4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793901 562912844 /nfs/dbraw/zinc/91/28/44/562912844.db2.gz KMNYKNGRLZKIHW-HEVIKAOCSA-N 1 0 592.561 6.276 1 0 KKAFRO Cc1n(Cc2ccc(C)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795188 562912997 /nfs/dbraw/zinc/91/29/97/562912997.db2.gz ZIFSCDFCNGANHT-MPQUPPDSSA-N 1 0 541.719 6.130 1 0 KKAFRO COc1ccc(Cn2c3ccsc3c(C[NH2+][C@@H](C)c3ccccc3)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000653796430 562913129 /nfs/dbraw/zinc/91/31/29/562913129.db2.gz SGLAYWKDSWOYPA-SANMLTNESA-N 1 0 578.782 6.569 1 0 KKAFRO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(NCC[NH+](C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822685 562914158 /nfs/dbraw/zinc/91/41/58/562914158.db2.gz QTUYPIHERHUIJG-CQSZACIVSA-N 1 0 510.429 5.922 1 0 KKAFRO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC[N@H+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822640 562914161 /nfs/dbraw/zinc/91/41/61/562914161.db2.gz JQKDGGRZIBHFLB-MRXNPFEDSA-N 1 0 536.467 6.090 1 0 KKAFRO C[N@H+](CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653823168 562914223 /nfs/dbraw/zinc/91/42/23/562914223.db2.gz QUCBXGWIZAVJDM-UHFFFAOYSA-N 1 0 556.703 6.976 1 0 KKAFRO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5C[C@@H](C)[NH2+][C@@H](C)C5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825388 562914387 /nfs/dbraw/zinc/91/43/87/562914387.db2.gz JZMMRIIMJLFYOI-OWCLPIDISA-N 1 0 536.467 6.135 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2F)ccn1 ZINC000653842100 562914893 /nfs/dbraw/zinc/91/48/93/562914893.db2.gz DAGRJULNCBWDEU-UHFFFAOYSA-N 1 0 527.963 5.660 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2F)ccn1 ZINC000653842152 562914924 /nfs/dbraw/zinc/91/49/24/562914924.db2.gz UOPVWDXUOFKABY-UHFFFAOYSA-N 1 0 543.525 5.886 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2F)ccn1 ZINC000653851583 562915536 /nfs/dbraw/zinc/91/55/36/562915536.db2.gz XPMAUTIRQXHLHQ-UHFFFAOYSA-N 1 0 541.990 6.050 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653857568 562915829 /nfs/dbraw/zinc/91/58/29/562915829.db2.gz ZMMPJVTUJGNGJO-UHFFFAOYSA-N 1 0 639.732 5.641 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(I)cc1)Oc1ccc(Cl)cc1-2 ZINC000653861662 562916004 /nfs/dbraw/zinc/91/60/04/562916004.db2.gz GEVXTHOSBKJZQI-QGZVFWFLSA-N 1 0 514.861 6.028 1 0 KKAFRO OCCN1CC[NH+](C[C@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866791 562916274 /nfs/dbraw/zinc/91/62/74/562916274.db2.gz VVXQETWWQMXUFT-AREMUKBSSA-N 1 0 536.076 5.305 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873458 562916524 /nfs/dbraw/zinc/91/65/24/562916524.db2.gz ONFDAKKUFGLFCG-UHFFFAOYSA-N 1 0 573.471 5.757 1 0 KKAFRO O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916984 /nfs/dbraw/zinc/91/69/84/562916984.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 1 0 519.652 5.309 1 0 KKAFRO CCCC[C@H](OC(=O)CN1CC[NH+](CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918600 562917952 /nfs/dbraw/zinc/91/79/52/562917952.db2.gz HTBWXRHRBWKCBD-ANLHILDMSA-N 1 0 819.080 9.261 1 0 KKAFRO CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)[C@@H]2C=C[C@H]3[C@H](Cc4cc[nH+]c(N)c4)[C@@H](C[NH2+]CC)C[C@]3(O)C2)[C@H](O)C1 ZINC000085492571 565127327 /nfs/dbraw/zinc/12/73/27/565127327.db2.gz VXKOSVZMKLFORN-SRVAMOSXSA-N 1 0 625.895 5.521 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@H](C)c2cccc(CO)c2)cc1O ZINC000085568402 565143554 /nfs/dbraw/zinc/14/35/54/565143554.db2.gz SYQHCSLBISSISR-LRAURROESA-N 1 0 641.717 5.324 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](C)CO)OC2=O ZINC000085571391 565146048 /nfs/dbraw/zinc/14/60/48/565146048.db2.gz WJKCFYGHUISHOM-BNZXHOTRSA-N 1 0 621.774 6.965 1 0 biogenic,in-vitro KKAFRO CCCN[C@@H](C[NH2+]C)C1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595769 565154045 /nfs/dbraw/zinc/15/40/45/565154045.db2.gz ONNQDVMAHUNDFK-AISHCKFISA-N 1 0 636.830 5.903 1 0 biogenic,in-vitro KKAFRO CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C\CCC4=[NH+]CCC[C@@]43CC2)OC1=O ZINC000100784153 571841620 /nfs/dbraw/zinc/84/16/20/571841620.db2.gz DVXZVCNEGRKLMW-BGGZAUHQSA-N 1 0 507.715 6.427 1 0 endogenous,in-man KKAFRO COc1ccc(CNc2ncnc3c2cc(NC(=O)C(F)(F)F)c(OC)c3CC[NH+]2CCCCC2)cc1Cl ZINC000042852540 581099458 /nfs/dbraw/zinc/09/94/58/581099458.db2.gz IBIOIBXTTFIPRP-UHFFFAOYSA-N 1 0 551.997 5.442 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3C[N@@H+]4CC3CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026660139 581099581 /nfs/dbraw/zinc/09/95/81/581099581.db2.gz KSCQZBDAQWTHKN-QZTJIDSGSA-N 1 0 588.511 6.852 1 0 KKAFRO CC(C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)CC[C@@]4(C)[C@@H]3C=C[C@H]2[C@]1(C)CO ZINC000095909922 291913239 /nfs/dbraw/zinc/91/32/39/291913239.db2.gz FKRYNOKEFDLDSY-UVUDXZQLSA-N 1 0 512.779 5.054 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)C(=O)O/C4=C\[C@H](CC)CCC(C)C)[C@@H]21 ZINC000085571374 291919578 /nfs/dbraw/zinc/91/95/78/291919578.db2.gz SCHNEPRGCNLXDT-BQDJNHNASA-N 1 0 661.883 9.409 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cc(O)ccc3-c3cccc(C[NH2+]C5CCCCC5)c3)C(=O)O/C4=C\[C@H](CC)Cc3ccccc3)[C@@H]21 ZINC000085571361 291919581 /nfs/dbraw/zinc/91/95/81/291919581.db2.gz XPAVZBIGEBVGBU-HXYCILFNSA-N 1 0 749.992 10.918 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567499 291940638 /nfs/dbraw/zinc/94/06/38/291940638.db2.gz PYFGOTUZFCXWHW-YBURCXCDSA-N 1 0 604.700 5.068 1 0 biogenic,in-vitro KKAFRO CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)CC[C@@]4(C)[C@@H]3C=C[C@H]2[C@]1(C)CO ZINC000095909921 291946363 /nfs/dbraw/zinc/94/63/63/291946363.db2.gz PNRYCCCLOUCAGQ-MJLUPTTCSA-N 1 0 512.779 5.102 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](CCCCc2cccc(O)c2)c2cc[nH]c2C1 ZINC000085626902 291979386 /nfs/dbraw/zinc/97/93/86/291979386.db2.gz DUNUOTHUVCPKCL-KNQWCPDTSA-N 1 0 739.913 7.537 1 0 biogenic,in-vitro KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001487918 561676029 /nfs/dbraw/zinc/67/60/29/561676029.db2.gz ITHOBZKJMFCARD-GPJMPKJXSA-N 1 0 557.181 5.289 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc2ccccc2c1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001545572 561677136 /nfs/dbraw/zinc/67/71/36/561677136.db2.gz NHNVNUNXHQYDFZ-UHFFFAOYSA-N 1 0 507.655 7.523 1 0 KKAFRO COc1ccc2c(c1)sc1c2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC)ccc2-1 ZINC000001545277 561677142 /nfs/dbraw/zinc/67/71/42/561677142.db2.gz SUWVWDRFMWRSLT-LJAQVGFWSA-N 1 0 501.648 6.932 1 0 KKAFRO CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=[NH2+])N(C)[C@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000001646021 561678353 /nfs/dbraw/zinc/67/83/53/561678353.db2.gz BRRBBMGKRWVXNP-AWEZNQCLSA-N 1 0 539.458 5.483 1 0 KKAFRO Cn1cc(C(=O)NCCC[NH+](C)CCCNC(=O)c2cn(C)c3c2ccc2ccccc32)c2ccc3ccccc3c21 ZINC000001861221 561679879 /nfs/dbraw/zinc/67/98/79/561679879.db2.gz PYGBHCKSFFHZBX-UHFFFAOYSA-N 1 0 559.714 5.848 1 0 KKAFRO Cn1cc(C(=O)NCC[NH+](C)CCNC(=O)c2cn(C)c3c2ccc2ccccc32)c2ccc3ccccc3c21 ZINC000001861219 561679886 /nfs/dbraw/zinc/67/98/86/561679886.db2.gz HEWBJNOAXVXHID-UHFFFAOYSA-N 1 0 531.660 5.068 1 0 KKAFRO CC(C)C(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000003787789 561682389 /nfs/dbraw/zinc/68/23/89/561682389.db2.gz LHFTWCKXENCOHI-UHFFFAOYSA-N 1 0 507.621 6.221 1 0 KKAFRO COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003813546 561682759 /nfs/dbraw/zinc/68/27/59/561682759.db2.gz RTJYNDZSOVYLSA-GDLZYMKVSA-N 1 0 516.663 6.575 1 0 KKAFRO CCC(O)(CC)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000003809421 561682771 /nfs/dbraw/zinc/68/27/71/561682771.db2.gz ZAPNVNHZAUSHOF-HSZRJFAPSA-N 1 0 505.530 6.502 1 0 KKAFRO CC[NH+](CC)CCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 ZINC000003815488 561682909 /nfs/dbraw/zinc/68/29/09/561682909.db2.gz TXIHQMLNWLFVHM-UHFFFAOYSA-N 1 0 512.441 5.767 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH+]3CCCCC3)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842932 561684078 /nfs/dbraw/zinc/68/40/78/561684078.db2.gz RIDDCLHNDOXTES-UHFFFAOYSA-N 1 0 732.848 7.200 1 0 KKAFRO Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003917026 561685147 /nfs/dbraw/zinc/68/51/47/561685147.db2.gz YSWHQXPXNDQJSJ-GAHHUZMSSA-N 1 0 678.918 5.691 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4[nH]c3C(C)C)cc2)cc1OC ZINC000003922473 561685949 /nfs/dbraw/zinc/68/59/49/561685949.db2.gz KNUKDHHQOCTZCF-UHFFFAOYSA-N 1 0 550.721 6.085 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000003924172 561686312 /nfs/dbraw/zinc/68/63/12/561686312.db2.gz MSOUIIHPMJCUNI-LJAQVGFWSA-N 1 0 624.710 6.557 1 0 KKAFRO Cn1cc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)c(CO)c3)CC2)c2ccccc21 ZINC000003937904 561688706 /nfs/dbraw/zinc/68/87/06/561688706.db2.gz QJLCZXCLMLMHOR-UHFFFAOYSA-N 1 0 563.664 6.746 1 0 KKAFRO CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000003952525 561690715 /nfs/dbraw/zinc/69/07/15/561690715.db2.gz PZUCPNVPSYYDQJ-UHFFFAOYSA-N 1 0 561.748 6.155 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC(O)(Cc3ccccc3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003965175 561691528 /nfs/dbraw/zinc/69/15/28/561691528.db2.gz BETCCFITWJNKCT-UIEBLDLISA-N 1 0 632.689 7.852 1 0 KKAFRO O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003976302 561691919 /nfs/dbraw/zinc/69/19/19/561691919.db2.gz IPYSGZQQGUWCKZ-UHFFFAOYSA-N 1 0 503.690 7.095 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCC(C)(C)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003979812 561692361 /nfs/dbraw/zinc/69/23/61/561692361.db2.gz YFGXBMYNVZFVNN-KYIWBLPXSA-N 1 0 610.683 8.206 1 0 KKAFRO CC(=O)Oc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000003979779 561692368 /nfs/dbraw/zinc/69/23/68/561692368.db2.gz DHJAABJEMWCWMG-UHFFFAOYSA-N 1 0 562.110 6.216 1 0 KKAFRO CS(=O)(=O)N(c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000003982651 561692642 /nfs/dbraw/zinc/69/26/42/561692642.db2.gz RSJYPIKEOWEIPQ-UHFFFAOYSA-N 1 0 628.794 5.095 1 0 KKAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987503 561693006 /nfs/dbraw/zinc/69/30/06/561693006.db2.gz JKURHCLTNUAEBX-AJQTZOPKSA-N 1 0 655.739 5.694 1 0 KKAFRO CCOP(=O)(OCC)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004391816 561694777 /nfs/dbraw/zinc/69/47/77/561694777.db2.gz ZCJPDSRYWLQWPG-UHFFFAOYSA-N 1 0 593.682 7.261 1 0 KKAFRO COc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000004425220 561694971 /nfs/dbraw/zinc/69/49/71/561694971.db2.gz GBPBWQGPBSYBOV-HSZRJFAPSA-N 1 0 518.466 5.839 1 0 KKAFRO C[NH+](C)CCCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000005582802 561697266 /nfs/dbraw/zinc/69/72/66/561697266.db2.gz YJQVXHUAHNHGNJ-UHFFFAOYSA-N 1 0 556.786 6.589 1 0 KKAFRO Cn1cc(C(=O)NCCC[NH+](C)CCCNC(=O)c2cn(C)c3c2ccc2cc(Cl)ccc32)c2ccc3cc(Cl)ccc3c21 ZINC000005582877 561697312 /nfs/dbraw/zinc/69/73/12/561697312.db2.gz KTJVFVRZIVEWKI-UHFFFAOYSA-N 1 0 628.604 7.155 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000005946931 561700516 /nfs/dbraw/zinc/70/05/16/561700516.db2.gz YZQZHAYEQWAQTL-LJAQVGFWSA-N 1 0 515.702 5.441 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000006001969 561700856 /nfs/dbraw/zinc/70/08/56/561700856.db2.gz YZARHHJVMXTBDM-OVBQHIIOSA-N 1 0 635.757 7.276 1 0 KKAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](O[C@@H](C[NH3+])c3cc(Cl)c(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@H]21 ZINC000006040705 561702114 /nfs/dbraw/zinc/70/21/14/561702114.db2.gz BVGWFRPIXPSLDA-TZZAJGITSA-N 1 0 562.150 7.702 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(CCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 ZINC000008582033 561705726 /nfs/dbraw/zinc/70/57/26/561705726.db2.gz OHHGYJBFPVJURR-UHFFFAOYSA-N 1 0 534.586 6.356 1 0 in-vitro KKAFRO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597745 561706197 /nfs/dbraw/zinc/70/61/97/561706197.db2.gz NIOIBFKJMZBWEE-UHFFFAOYSA-N 1 0 571.766 5.782 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000008597264 561706224 /nfs/dbraw/zinc/70/62/24/561706224.db2.gz QIJYPARIQBYAKU-UHFFFAOYSA-N 1 0 571.766 5.671 1 0 KKAFRO c1ccc(C(OCCC2CC[NH+](Cc3ccc(-c4ccc5ccccc5c4)cc3)CC2)c2ccccc2)cc1 ZINC000013472262 561714233 /nfs/dbraw/zinc/71/42/33/561714233.db2.gz RDRBURWAZXJPSR-UHFFFAOYSA-N 1 0 511.709 8.915 1 0 KKAFRO C[C@H](Nc1nccc(-c2cc(N3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439158 561712255 /nfs/dbraw/zinc/71/22/55/561712255.db2.gz GUJHNVVLTAXWRX-SFHVURJKSA-N 1 0 505.548 5.202 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCC(c2ccccc2)c2ccccc2)C1 ZINC000013450314 561713344 /nfs/dbraw/zinc/71/33/44/561713344.db2.gz WSPFWOXBLPRUED-FYBSXPHGSA-N 1 0 517.646 5.081 1 0 KKAFRO CCCCC[NH+](CCCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451510 561713367 /nfs/dbraw/zinc/71/33/67/561713367.db2.gz BJQATYNEVSQONU-UHFFFAOYSA-N 1 0 512.760 7.347 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3F)cc(NC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487122 561715172 /nfs/dbraw/zinc/71/51/72/561715172.db2.gz UVYZMIVPCOLQCO-UHFFFAOYSA-N 1 0 503.380 6.464 1 0 KKAFRO O=c1cc(NC[C@H]2CCC[C@@H]2[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000013488732 561715552 /nfs/dbraw/zinc/71/55/52/561715552.db2.gz XUWKUSHSBJEFNS-BEFAXECRSA-N 1 0 505.254 5.836 1 0 KKAFRO Cn1cc(C2=C(c3cn([C@@H]4CC[N@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000013489986 561716117 /nfs/dbraw/zinc/71/61/17/561716117.db2.gz XHECFEYKUWOZIT-JOCHJYFZSA-N 1 0 500.602 5.147 1 0 KKAFRO O=c1[nH]c(SCCC[NH+]2CCN(c3cccc4ccccc43)CC2)nc2sc(-c3ccccc3)cc21 ZINC000013761026 561727789 /nfs/dbraw/zinc/72/77/89/561727789.db2.gz KALFDTHGRWHRJE-UHFFFAOYSA-N 1 0 512.704 6.109 1 0 KKAFRO O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CCc2ccccc2)[C@H]1O5 ZINC000013518090 561716739 /nfs/dbraw/zinc/71/67/39/561716739.db2.gz IGJGVONOVSZTLU-KYXYXWHUSA-N 1 0 509.646 5.015 1 0 KKAFRO O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588393 561720996 /nfs/dbraw/zinc/72/09/96/561720996.db2.gz JQFIBEBVODCPDV-HKBQPEDESA-N 1 0 515.697 7.947 1 0 KKAFRO O=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588394 561721019 /nfs/dbraw/zinc/72/10/19/561721019.db2.gz CWQKVNKWLYIJAS-JGCGQSQUSA-N 1 0 515.697 7.947 1 0 KKAFRO O=CNc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643385 561722329 /nfs/dbraw/zinc/72/23/29/561722329.db2.gz PAURWMOEDJATQA-UHFFFAOYSA-N 1 0 527.452 5.225 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3c(cccc3Cl)n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646523 561722570 /nfs/dbraw/zinc/72/25/70/561722570.db2.gz VZGXXNKOVRJPAJ-UHFFFAOYSA-N 1 0 517.482 6.316 1 0 KKAFRO CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661810 561723588 /nfs/dbraw/zinc/72/35/88/561723588.db2.gz ILAUSUDKTJLFLK-NDEPHWFRSA-N 1 0 501.696 5.125 3 0 KKAFRO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013661687 561723591 /nfs/dbraw/zinc/72/35/91/561723591.db2.gz LIPXDRRTIGUPAP-SANMLTNESA-N 1 0 523.540 5.930 3 0 KKAFRO COc1ccc(C[N@H+](CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000013473316 561714353 /nfs/dbraw/zinc/71/43/53/561714353.db2.gz UFEIGDKXCLHAPU-UHFFFAOYSA-N 1 0 524.661 5.906 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781694 561729457 /nfs/dbraw/zinc/72/94/57/561729457.db2.gz OIQRRPTWMZBNMA-SKCUWOTOSA-N 1 0 528.759 5.323 1 0 KKAFRO CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCC[NH2+]CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799748 561730527 /nfs/dbraw/zinc/73/05/27/561730527.db2.gz AYYXBQSQPQGDCX-MHZLTWQESA-N 1 0 528.715 5.349 1 0 KKAFRO O=C(CN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 ZINC000013806870 561731480 /nfs/dbraw/zinc/73/14/80/561731480.db2.gz XDBSOVFDSPYHQJ-SANMLTNESA-N 1 0 514.069 5.221 1 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812920 561731728 /nfs/dbraw/zinc/73/17/28/561731728.db2.gz UESIYDZPBMNPLD-HXUOFSJXSA-N 1 0 516.651 8.169 3 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)c2ccccc12)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834329 561734212 /nfs/dbraw/zinc/73/42/12/561734212.db2.gz AUPWRJNTFCCWDZ-UHFFFAOYSA-N 1 0 523.654 7.228 1 0 KKAFRO O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 ZINC000013862619 561734855 /nfs/dbraw/zinc/73/48/55/561734855.db2.gz IYDQYNJRALWSOW-UHFFFAOYSA-N 1 0 501.498 7.172 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)CC(C)(C)C)nc2n1 ZINC000013862922 561734988 /nfs/dbraw/zinc/73/49/88/561734988.db2.gz IIROBNCWLNKPGG-UHFFFAOYSA-N 1 0 517.505 6.517 1 0 KKAFRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](C[NH+]1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC000013978653 561735858 /nfs/dbraw/zinc/73/58/58/561735858.db2.gz KWOOBZQKQHYUGT-DEOSSOPVSA-N 1 0 520.592 5.264 1 0 KKAFRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000013983247 561736025 /nfs/dbraw/zinc/73/60/25/561736025.db2.gz DINDUEXSAMHHDB-ARDBEANASA-N 1 0 517.969 6.687 1 0 KKAFRO CCc1sc(CCc2cc(N3CCOCC3)cc(N[C@@H](C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000014139887 561736926 /nfs/dbraw/zinc/73/69/26/561736926.db2.gz AZGZXUZMWKHDDH-IBGZPJMESA-N 1 0 572.175 6.814 1 0 KKAFRO Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2C[NH+](C)C)cc1 ZINC000014210483 561737980 /nfs/dbraw/zinc/73/79/80/561737980.db2.gz LUFLMQPOYZXEPI-UHFFFAOYSA-N 1 0 559.552 5.351 1 0 KKAFRO C[N@H+](CCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000014294807 561739506 /nfs/dbraw/zinc/73/95/06/561739506.db2.gz MOIQVOKPJIZNBO-GDLZYMKVSA-N 1 0 556.769 6.081 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000014944249 561742273 /nfs/dbraw/zinc/74/22/73/561742273.db2.gz TWRMMAAINFMTFO-QGZVFWFLSA-N 1 0 544.531 6.595 1 0 KKAFRO C[NH+](C)C[C@H](O)COc1ccc(Nc2cc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)ncn2)cc1 ZINC000014945878 561743357 /nfs/dbraw/zinc/74/33/57/561743357.db2.gz DYFJIKDOEKMQFC-QHCPKHFHSA-N 1 0 538.479 6.167 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000014946305 561743501 /nfs/dbraw/zinc/74/35/01/561743501.db2.gz BKAXAPFSKYIFDF-UHFFFAOYSA-N 1 0 545.171 8.140 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc(N2CCCC2=O)c1 ZINC000016052608 561753959 /nfs/dbraw/zinc/75/39/59/561753959.db2.gz BNTVCVCCNARYIP-URLMMPGGSA-N 1 0 536.761 5.142 1 0 in-vitro KKAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)C2=O ZINC000014950457 561745566 /nfs/dbraw/zinc/74/55/66/561745566.db2.gz JVDKHRYLSLCTBR-UHFFFAOYSA-N 1 0 518.621 5.370 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[N@@H+]5CC[C@H](O)C5)cc3)CC4)cc12 ZINC000014950433 561745571 /nfs/dbraw/zinc/74/55/71/561745571.db2.gz DFRIQJHMGZBFOM-QFIPXVFZSA-N 1 0 588.590 5.051 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+](C)C)cc2)CC3)cc1 ZINC000014950593 561745694 /nfs/dbraw/zinc/74/56/94/561745694.db2.gz PCNAVRSNEWRPLH-UHFFFAOYSA-N 1 0 520.555 5.831 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]C4CCCC4)cc3F)cc12 ZINC000014951129 561745864 /nfs/dbraw/zinc/74/58/64/561745864.db2.gz NQZNEYVHRSEFNX-UHFFFAOYSA-N 1 0 578.570 6.705 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2c1 ZINC000014951005 561745889 /nfs/dbraw/zinc/74/58/89/561745889.db2.gz XMUNTFWDTAXUMK-QFIPXVFZSA-N 1 0 533.579 6.355 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)c1 ZINC000016052459 561754101 /nfs/dbraw/zinc/75/41/01/561754101.db2.gz GZHSLBYVXGDJDF-NXVJRICRSA-N 1 0 607.742 5.185 1 0 in-vitro KKAFRO CC(=O)Nc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953497 561746588 /nfs/dbraw/zinc/74/65/88/561746588.db2.gz NDDNITDSHULYDX-UHFFFAOYSA-N 1 0 541.479 5.615 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953491 561746680 /nfs/dbraw/zinc/74/66/80/561746680.db2.gz IVCLCGPMDAQQDD-UHFFFAOYSA-N 1 0 552.424 6.675 1 0 KKAFRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959636 561748257 /nfs/dbraw/zinc/74/82/57/561748257.db2.gz HRXHFNVTHGOHAS-UHFFFAOYSA-N 1 0 509.075 6.196 1 0 KKAFRO O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](CC[C@H](O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000014962030 561748561 /nfs/dbraw/zinc/74/85/61/561748561.db2.gz KLXPIHNTOUDGPI-DHUJRADRSA-N 1 0 541.695 7.005 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(C)=[NH2+])c1Cl ZINC000014963188 561748962 /nfs/dbraw/zinc/74/89/62/561748962.db2.gz JKXFAJKKAORNCV-UHFFFAOYSA-N 1 0 540.860 6.045 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]CCC2)c1Cl ZINC000014963152 561748976 /nfs/dbraw/zinc/74/89/76/561748976.db2.gz ZCZOICVKCWBHJP-UHFFFAOYSA-N 1 0 566.898 6.241 1 0 KKAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C6CCCCC6)OC[C@@]45C)C[C@H]3C(=O)C[C@]12C)[NH+](C)C ZINC000014969911 561750950 /nfs/dbraw/zinc/75/09/50/561750950.db2.gz KBJVXAZGEOCZQO-DEKOKLSDSA-N 1 0 524.790 6.049 1 0 KKAFRO CCC(CC)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969904 561750977 /nfs/dbraw/zinc/75/09/77/561750977.db2.gz JLIOVHTVHKXHEO-KXGINKQYSA-N 1 0 512.779 5.905 1 0 KKAFRO NC(=O)Cc1cccc(OCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000014973005 561751725 /nfs/dbraw/zinc/75/17/25/561751725.db2.gz ZVWVNNYZOBNFFJ-UHFFFAOYSA-N 1 0 581.078 7.490 1 0 KKAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000015944151 561753506 /nfs/dbraw/zinc/75/35/06/561753506.db2.gz BDCQVJBDZRVSHT-CLXNJRGBSA-N 1 0 529.706 5.112 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000017545679 561755933 /nfs/dbraw/zinc/75/59/33/561755933.db2.gz RUDOVWVZIBYLAA-WJOKGBTCSA-N 1 0 597.800 6.953 3 0 KKAFRO CC[NH+](CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000017545722 561755967 /nfs/dbraw/zinc/75/59/67/561755967.db2.gz YOGNVOLQMDOGDV-HSZRJFAPSA-N 1 0 561.675 6.367 3 0 KKAFRO COc1cc([C@@H]2CC(=O)Oc3c([C@H](CC[N@@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545743 561756023 /nfs/dbraw/zinc/75/60/23/561756023.db2.gz MJKLWLKIFXZGHF-QPVYNBJUSA-N 1 0 632.798 6.491 3 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654988 561757766 /nfs/dbraw/zinc/75/77/66/561757766.db2.gz NDPZVFGDWNTQOK-RRPNLBNLSA-N 1 0 618.771 6.245 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000017655073 561757802 /nfs/dbraw/zinc/75/78/02/561757802.db2.gz SYJKXQLWHPPSOQ-RRPNLBNLSA-N 1 0 546.708 6.083 1 0 KKAFRO O[C@@H](CC[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365464 561758384 /nfs/dbraw/zinc/75/83/84/561758384.db2.gz WPTBYSWSMZEWGH-MHZLTWQESA-N 1 0 545.468 5.575 1 0 KKAFRO COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CC[NH+](C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000021289421 561758810 /nfs/dbraw/zinc/75/88/10/561758810.db2.gz LVEXBQONPVYXPA-UHFFFAOYSA-N 1 0 595.535 5.701 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc3ccccc3c2)cc1 ZINC000022453262 561759356 /nfs/dbraw/zinc/75/93/56/561759356.db2.gz LGNBQFHEQKEZPV-ROJLCIKYSA-N 1 0 510.678 6.069 1 0 KKAFRO CO[C@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924723 561759513 /nfs/dbraw/zinc/75/95/13/561759513.db2.gz MLTMTBFVYXFOGY-NDEPHWFRSA-N 1 0 510.694 6.302 1 0 KKAFRO COc1cccc([C@@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925559 561759709 /nfs/dbraw/zinc/75/97/09/561759709.db2.gz ZVXTZYNQLSAYCQ-AELAXVIFSA-N 1 0 521.499 5.895 1 0 KKAFRO CCCCC[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022932269 561760251 /nfs/dbraw/zinc/76/02/51/561760251.db2.gz JUZGVMWDXIFZGB-JGCGQSQUSA-N 1 0 510.682 5.379 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)c(F)c4)C[C@H]23)CC1 ZINC000022935433 561760755 /nfs/dbraw/zinc/76/07/55/561760755.db2.gz XJFGBAZCWHREIV-CMTYHFORSA-N 1 0 521.027 5.349 1 0 KKAFRO CC(C)N1CCN(CCN2CC[NH+]([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000022940798 561761048 /nfs/dbraw/zinc/76/10/48/561761048.db2.gz XDVMQRQYTNBNKW-AZGAKELHSA-N 1 0 518.599 5.185 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5[nH]ccc54)c3)cc2C(F)(F)F)CC1 ZINC000022952975 561761223 /nfs/dbraw/zinc/76/12/23/561761223.db2.gz PURXNLRDNBGWES-UHFFFAOYSA-N 1 0 563.624 6.137 3 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(-c5ccccc5)c4N)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952981 561761232 /nfs/dbraw/zinc/76/12/32/561761232.db2.gz UKWBMXHWPGBTDX-UHFFFAOYSA-N 1 0 621.664 5.124 3 0 KKAFRO C[NH+]1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(-c4c(Cl)cccc4Cl)cc3cn2)CC1 ZINC000023357875 561761805 /nfs/dbraw/zinc/76/18/05/561761805.db2.gz TWGNTRGLYZCJJT-UHFFFAOYSA-N 1 0 544.531 5.573 1 0 KKAFRO CC[NH+](CC)CCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000026018564 561766515 /nfs/dbraw/zinc/76/65/15/561766515.db2.gz IRFJULASFVCCLG-UHFFFAOYSA-N 1 0 591.772 8.160 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160938 561768588 /nfs/dbraw/zinc/76/85/88/561768588.db2.gz XOLUMIJQZDSNAE-XUZZJYLKSA-N 1 0 504.652 5.097 1 0 KKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026165998 561769252 /nfs/dbraw/zinc/76/92/52/561769252.db2.gz YVJCKFKMZVODMS-GBXCKJPGSA-N 1 0 512.597 6.099 1 0 KKAFRO COc1ccc([C@@H](CCCCC[N@@H+]2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259130 561775333 /nfs/dbraw/zinc/77/53/33/561775333.db2.gz ZIDJRRPIOJNLKD-WJOKGBTCSA-N 1 0 519.707 7.193 1 0 KKAFRO CC(C)[NH+](CC[C@](CC(=O)N(C1CCCCC1)C1CCCCC1)(C(=O)N(C)C)c1ccccc1)C(C)C ZINC000026261893 561775625 /nfs/dbraw/zinc/77/56/25/561775625.db2.gz SUHNYGNELUQOMH-JGCGQSQUSA-N 1 0 511.795 6.406 1 0 KKAFRO COc1cc(OC2CC[NH+](Cc3ccccc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026263064 561775824 /nfs/dbraw/zinc/77/58/24/561775824.db2.gz PZXNJBACJZRIPC-UHFFFAOYSA-N 1 0 555.675 5.500 1 0 KKAFRO COc1ccc2c(c1)CC[N@@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269368 561776824 /nfs/dbraw/zinc/77/68/24/561776824.db2.gz QBYHJXFWLJFTMH-WJOKGBTCSA-N 1 0 505.724 7.473 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CC1CCCCC1 ZINC000026274062 561777686 /nfs/dbraw/zinc/77/76/86/561777686.db2.gz NVEXGIMBAFMDOW-KYJUHHDHSA-N 1 0 563.783 5.775 1 0 KKAFRO CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296727 561781574 /nfs/dbraw/zinc/78/15/74/561781574.db2.gz DCJXJZRHLYXSCU-ZPROFRFWSA-N 1 0 654.896 5.478 1 0 KKAFRO COc1ccc2c(c1)nc(NCCCN1CC[NH+](CCCNc3nc4cc(OC)ccc4n4c(Cl)ccc34)CC1)c1ccc(Cl)n12 ZINC000026155838 561768275 /nfs/dbraw/zinc/76/82/75/561768275.db2.gz AHBKGEMXVHDMOU-UHFFFAOYSA-N 1 0 661.638 6.534 1 0 KKAFRO CCCN(C(=O)Nc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498144 561794717 /nfs/dbraw/zinc/79/47/17/561794717.db2.gz CUXOTFRTNXVNGO-MUUNZHRXSA-N 1 0 562.780 5.890 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1 ZINC000026386694 561784590 /nfs/dbraw/zinc/78/45/90/561784590.db2.gz ZVSTVGCGZDZJQW-SPIMXWGGSA-N 1 0 681.922 5.407 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026387032 561784702 /nfs/dbraw/zinc/78/47/02/561784702.db2.gz VBZSVPYGMWJBKR-UHFFFAOYSA-N 1 0 676.782 6.176 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)/C=C/c2cccs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026387768 561784933 /nfs/dbraw/zinc/78/49/33/561784933.db2.gz BPVFMUYMRQZNGH-YJUNHESCSA-N 1 0 517.547 6.211 1 0 KKAFRO C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389046 561785206 /nfs/dbraw/zinc/78/52/06/561785206.db2.gz OFSWQESEWGNADJ-XQDVYCKUSA-N 1 0 616.611 5.112 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7ccc(F)cc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026393560 561786251 /nfs/dbraw/zinc/78/62/51/561786251.db2.gz BQIRYCMPGJLSRW-UHFFFAOYSA-N 1 0 658.792 6.037 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCC[C@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498933 561794925 /nfs/dbraw/zinc/79/49/25/561794925.db2.gz RMNBMSAPTRQBGL-DHIFEGFHSA-N 1 0 571.851 5.713 1 0 KKAFRO COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1Cn1ccnc1 ZINC000026396654 561787136 /nfs/dbraw/zinc/78/71/36/561787136.db2.gz RNSBYFTUPUCXPI-UHFFFAOYSA-N 1 0 523.637 5.185 1 0 KKAFRO COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)cc3ccncc32)ccc1C(=O)N1CCCC1 ZINC000026399768 561788075 /nfs/dbraw/zinc/78/80/75/561788075.db2.gz WVTHZZUYDYHYEG-UHFFFAOYSA-N 1 0 524.665 5.471 1 0 KKAFRO CC(C)[C@H]([NH2+]CCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026499399 561795015 /nfs/dbraw/zinc/79/50/15/561795015.db2.gz IASHEURKZFQDMZ-DEOSSOPVSA-N 1 0 520.559 5.800 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480413 561791678 /nfs/dbraw/zinc/79/16/78/561791678.db2.gz QHNQTSSNDKCNAC-ZCEBPYAASA-N 1 0 662.683 5.671 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000026483502 561792149 /nfs/dbraw/zinc/79/21/49/561792149.db2.gz OGNKPCYDPFXKQE-IQQNDYETSA-N 1 0 579.458 5.020 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488139 561792747 /nfs/dbraw/zinc/79/27/47/561792747.db2.gz UFYKJCCSGPBIBE-QBJOXQJNSA-N 1 0 663.576 5.959 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000026488573 561792894 /nfs/dbraw/zinc/79/28/94/561792894.db2.gz ICVRLMZZXLJXHV-CTHAODRQSA-N 1 0 593.485 5.410 1 0 KKAFRO CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495067 561794097 /nfs/dbraw/zinc/79/40/97/561794097.db2.gz OKAYRNKUARTJKT-SSEXGKCCSA-N 1 0 620.816 5.093 1 0 KKAFRO CC(C)(Cc1ccccc1)[NH2+]Cc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026497037 561794522 /nfs/dbraw/zinc/79/45/22/561794522.db2.gz YVXAVPHCIKZUNF-UHFFFAOYSA-N 1 0 506.532 5.381 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC(=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026501913 561795673 /nfs/dbraw/zinc/79/56/73/561795673.db2.gz MWFPHTFCMXOFGJ-XMMPIXPASA-N 1 0 537.125 5.755 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026503686 561796180 /nfs/dbraw/zinc/79/61/80/561796180.db2.gz CAKYRGCYMHIWJD-GDLZYMKVSA-N 1 0 539.185 6.869 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026566593 561797093 /nfs/dbraw/zinc/79/70/93/561797093.db2.gz HYKVHMXJPZXOSZ-YTTGMZPUSA-N 1 0 641.596 5.107 1 0 KKAFRO CC[N@H+](CCO)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576689 561800480 /nfs/dbraw/zinc/80/04/80/561800480.db2.gz IYWLLEISTIXAQH-UHFFFAOYSA-N 1 0 703.284 5.662 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026577112 561800978 /nfs/dbraw/zinc/80/09/78/561800978.db2.gz WOHUDPBPWKPSAX-UHFFFAOYSA-N 1 0 708.919 8.093 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH+]3CCCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577508 561801680 /nfs/dbraw/zinc/80/16/80/561801680.db2.gz JFLFKVDUANRIPF-UHFFFAOYSA-N 1 0 685.269 6.444 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH+]3CCCCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577507 561801754 /nfs/dbraw/zinc/80/17/54/561801754.db2.gz SWZBJHXEZOKMDO-UHFFFAOYSA-N 1 0 699.296 6.834 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000026577622 561801855 /nfs/dbraw/zinc/80/18/55/561801855.db2.gz DZHOQJKKFCAFHT-VLAOEWOHSA-N 1 0 551.580 6.489 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CCC[NH+]3CCCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026578246 561802906 /nfs/dbraw/zinc/80/29/06/561802906.db2.gz CXBVVPSRIVMQHG-UHFFFAOYSA-N 1 0 699.296 6.834 1 0 KKAFRO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CC[NH+](C)CC5)cc(C)nc34)c2Cl)cc1 ZINC000026579760 561805195 /nfs/dbraw/zinc/80/51/95/561805195.db2.gz UWHZXDTYTDZLHA-XNTDXEJSSA-N 1 0 689.644 5.333 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 ZINC000026580042 561805457 /nfs/dbraw/zinc/80/54/57/561805457.db2.gz BEJZBMDINMSNEG-RYXSGMGPSA-N 1 0 597.674 6.216 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026580174 561805627 /nfs/dbraw/zinc/80/56/27/561805627.db2.gz QSVIUQSRMGIJPZ-LHAPQZOASA-N 1 0 528.784 5.049 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000026640376 561806430 /nfs/dbraw/zinc/80/64/30/561806430.db2.gz DZNWWHDJWHTPPT-HKBQPEDESA-N 1 0 512.719 6.514 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000026664807 561810941 /nfs/dbraw/zinc/81/09/41/561810941.db2.gz CYORBGPGFWOAPN-IZZNHLLZSA-N 1 0 544.017 5.641 1 0 KKAFRO CC(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026665658 561811132 /nfs/dbraw/zinc/81/11/32/561811132.db2.gz ZAUVKXIKUDIRRJ-KNTLSSDESA-N 1 0 649.684 8.212 1 0 KKAFRO CC(C)N1CCN(CCN2CC[NH+]([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669886 561812020 /nfs/dbraw/zinc/81/20/20/561812020.db2.gz XDVMQRQYTNBNKW-AHWVRZQESA-N 1 0 518.599 5.185 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccc(F)cc3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)CC1 ZINC000026671772 561812624 /nfs/dbraw/zinc/81/26/24/561812624.db2.gz FLHDOLQPNXOYNQ-KDXMTYKHSA-N 1 0 686.825 5.893 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026672401 561812714 /nfs/dbraw/zinc/81/27/14/561812714.db2.gz AOMZRTTZRBZOAC-VQJSHJPSSA-N 1 0 687.841 6.274 1 0 KKAFRO COc1ccc([C@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3ccccc3)C2)cc1OC ZINC000026672193 561812737 /nfs/dbraw/zinc/81/27/37/561812737.db2.gz IYGHJULMISLCJX-VQJSHJPSSA-N 1 0 674.817 7.010 1 0 KKAFRO C[C@@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000026674731 561813583 /nfs/dbraw/zinc/81/35/83/561813583.db2.gz NZPBORMKRQQWNV-CGJDKJMMSA-N 1 0 536.760 6.764 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674919 561813792 /nfs/dbraw/zinc/81/37/92/561813792.db2.gz QTQUJTULPNBWLD-UHFFFAOYSA-N 1 0 606.211 7.146 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4cccnc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717697 561814433 /nfs/dbraw/zinc/81/44/33/561814433.db2.gz AHIOIWMCDDMDRL-RWYGWLOXSA-N 1 0 687.841 6.274 1 0 KKAFRO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@@H]2CCC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026719126 561814806 /nfs/dbraw/zinc/81/48/06/561814806.db2.gz PRDRZXROMYANHC-PXJZQJOASA-N 1 0 532.706 5.396 1 0 KKAFRO CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1C(=O)N(CCC[NH+]1CCSCC1)CCc1c[nH]c2ccccc12 ZINC000026749527 561819450 /nfs/dbraw/zinc/81/94/50/561819450.db2.gz PLLWRXKRZRSORW-UHFFFAOYSA-N 1 0 607.824 6.088 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026837949 561824865 /nfs/dbraw/zinc/82/48/65/561824865.db2.gz CPCUDQSFKDHFRK-PMERELPUSA-N 1 0 603.854 6.454 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843211 561826157 /nfs/dbraw/zinc/82/61/57/561826157.db2.gz WSYQSMJFBSIBRN-GDLZYMKVSA-N 1 0 701.539 7.311 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848223 561826889 /nfs/dbraw/zinc/82/68/89/561826889.db2.gz YYLWLQSLLOQPBL-LJAQVGFWSA-N 1 0 565.545 5.273 1 0 KKAFRO CCOC(=O)Nc1nc2nc(-c3ccccc3)c(-c3ccccc3)nc2c(N[C@@H](C)CCC[NH+](CC)CC)n1 ZINC000026849287 561827034 /nfs/dbraw/zinc/82/70/34/561827034.db2.gz IDKNHJPIGDKZNA-NRFANRHFSA-N 1 0 527.673 6.245 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C)CC2)c(C(C)C)c1 ZINC000026849493 561827072 /nfs/dbraw/zinc/82/70/72/561827072.db2.gz ORVQAEPSSZSIJP-MUUNZHRXSA-N 1 0 554.801 5.489 1 0 KKAFRO O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2F)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026943895 561828344 /nfs/dbraw/zinc/82/83/44/561828344.db2.gz DWVJIELBHVRVSO-PMERELPUSA-N 1 0 581.696 5.314 1 0 KKAFRO O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026947060 561828563 /nfs/dbraw/zinc/82/85/63/561828563.db2.gz BQEAZZBXJXWMPD-PMERELPUSA-N 1 0 563.706 5.175 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000026966889 561830070 /nfs/dbraw/zinc/83/00/70/561830070.db2.gz ZNXPJTFTPLLCKK-RUZDIDTESA-N 1 0 559.585 5.799 1 0 KKAFRO COC(=O)c1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000026997340 561833535 /nfs/dbraw/zinc/83/35/35/561833535.db2.gz IUFSGUYOMNJNGQ-WPCLDFDBSA-N 1 0 620.838 7.248 1 0 KKAFRO COc1ccc([S@](=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027095360 561837876 /nfs/dbraw/zinc/83/78/76/561837876.db2.gz RECCLQSOJLZNGQ-URMZLOQMSA-N 1 0 616.824 6.164 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6c(Cl)cccc6Cl)CC5)CC4)OCCO3)cc2)cc1 ZINC000027102282 561839025 /nfs/dbraw/zinc/83/90/25/561839025.db2.gz RXONMKSWCPADSS-UHFFFAOYSA-N 1 0 659.632 6.051 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6Br)CC5)CC4)OCCO3)cc2)cc1 ZINC000027104522 561839730 /nfs/dbraw/zinc/83/97/30/561839730.db2.gz OSXKQKDYDYLKEV-UHFFFAOYSA-N 1 0 669.638 5.507 1 0 KKAFRO C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000027200607 561845098 /nfs/dbraw/zinc/84/50/98/561845098.db2.gz QQUCDQPJIAUPNB-AWEZNQCLSA-N 1 0 500.386 5.069 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000027207720 561846281 /nfs/dbraw/zinc/84/62/81/561846281.db2.gz BHKDMCGCJODKJK-WIYBCGNWSA-N 1 0 570.265 5.184 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000027207716 561846286 /nfs/dbraw/zinc/84/62/86/561846286.db2.gz BHKDMCGCJODKJK-PPGORRQASA-N 1 0 570.265 5.184 1 0 KKAFRO O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1 ZINC000027212111 561847410 /nfs/dbraw/zinc/84/74/10/561847410.db2.gz FMFBRILFYGRZPB-UHFFFAOYSA-N 1 0 569.149 6.607 1 0 KKAFRO O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000027298420 561848622 /nfs/dbraw/zinc/84/86/22/561848622.db2.gz BRPKVWBIDATEPI-UHFFFAOYSA-N 1 0 636.158 8.230 1 0 KKAFRO CC[N@H+](CCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027317860 561852095 /nfs/dbraw/zinc/85/20/95/561852095.db2.gz DCFBHPPNUQRKFN-UHFFFAOYSA-N 1 0 538.541 7.652 1 0 KKAFRO CCC[N@@H+](Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027320197 561852458 /nfs/dbraw/zinc/85/24/58/561852458.db2.gz GQZQNFXJPOBBDE-UHFFFAOYSA-N 1 0 606.144 7.815 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027331492 561855137 /nfs/dbraw/zinc/85/51/37/561855137.db2.gz LNRZLOCRAANHBI-UHFFFAOYSA-N 1 0 664.826 6.682 1 0 KKAFRO O=C(NCCC[NH2+]C1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027406791 561855659 /nfs/dbraw/zinc/85/56/59/561855659.db2.gz PYFRVKJWTSFDRN-UHFFFAOYSA-N 1 0 545.553 6.076 1 0 KKAFRO CC(=O)O[C@@H]1C[C@H]2C(C)(C)/C(=N/OCC[NH+]3CCCC3)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412539 561856539 /nfs/dbraw/zinc/85/65/39/561856539.db2.gz ATEHWGPRICGPOU-PYONYFCHSA-N 1 0 548.768 7.138 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000027416767 561857148 /nfs/dbraw/zinc/85/71/48/561857148.db2.gz HVWJVGHTKLDAGJ-XIFFEERXSA-N 1 0 573.697 5.750 1 0 KKAFRO CC(C)[NH+]1CCN([C@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc3c2OCO3)CC1 ZINC000027437583 561860328 /nfs/dbraw/zinc/86/03/28/561860328.db2.gz YOMKURGHXWLZFQ-JOCHJYFZSA-N 1 0 559.551 5.221 1 0 KKAFRO COc1cc(CN2CC[N@H+]([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000027441937 561860791 /nfs/dbraw/zinc/86/07/91/561860791.db2.gz ONJMXWFIKVVLCT-LQJZCPKCSA-N 1 0 702.736 8.437 1 0 KKAFRO FC(F)(F)c1cc(COC[C@@H](c2ccccc2)N2CC[NH+](CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1 ZINC000027517446 561861200 /nfs/dbraw/zinc/86/12/00/561861200.db2.gz VLROGTSVMJUONC-QHCPKHFHSA-N 1 0 556.555 5.136 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccc(O)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517874 561861563 /nfs/dbraw/zinc/86/15/63/561861563.db2.gz RSGMZXPCQXVPBQ-VWLOTQADSA-N 1 0 557.579 5.780 1 0 KKAFRO CCN(CC)C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@H]1CCCC[NH2+]1 ZINC000027517830 561861609 /nfs/dbraw/zinc/86/16/09/561861609.db2.gz HBVFRTCYTVCJQE-OAQYLSRUSA-N 1 0 510.078 5.858 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+](CCO)CCO)CC1 ZINC000027518244 561862063 /nfs/dbraw/zinc/86/20/63/561862063.db2.gz WNRUNEPPOHUHGY-DEOSSOPVSA-N 1 0 630.457 5.182 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000027518350 561862135 /nfs/dbraw/zinc/86/21/35/561862135.db2.gz XLNGIGRIGVQMIN-GJOGQTSMSA-N 1 0 531.656 5.405 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000027518351 561862185 /nfs/dbraw/zinc/86/21/85/561862185.db2.gz XLNGIGRIGVQMIN-ONTJWLJASA-N 1 0 531.656 5.405 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000027519431 561863056 /nfs/dbraw/zinc/86/30/56/561863056.db2.gz FLCFXXDYBIGOAA-FKNLMKHPSA-N 1 0 545.683 6.044 1 0 KKAFRO CC[C@@H](C)N(C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@@H]1CCCC[NH2+]1)[C@@H](C)CC ZINC000027520144 561863444 /nfs/dbraw/zinc/86/34/44/561863444.db2.gz YXRWQRQZSUPRFI-ARNLJNQMSA-N 1 0 566.186 7.416 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000027520005 561863446 /nfs/dbraw/zinc/86/34/46/561863446.db2.gz GUMNUIVKTFMZDK-XRVBMRQNSA-N 1 0 547.655 5.490 1 0 KKAFRO Cc1nc(C[NH+]2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)cs1 ZINC000027524197 561865531 /nfs/dbraw/zinc/86/55/31/561865531.db2.gz QQOIKWGCKJQKAY-UHFFFAOYSA-N 1 0 528.562 7.240 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526204 561866132 /nfs/dbraw/zinc/86/61/32/561866132.db2.gz UZMKDOUDIGKWHV-PMERELPUSA-N 1 0 671.572 6.967 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2[C@@H](Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1 ZINC000027527246 561866775 /nfs/dbraw/zinc/86/67/75/561866775.db2.gz OYBVZJCDJJMVCO-LJAQVGFWSA-N 1 0 539.572 7.945 1 0 KKAFRO COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547504 561867247 /nfs/dbraw/zinc/86/72/47/561867247.db2.gz HBQUUZVSFQDTPW-WJOKGBTCSA-N 1 0 555.744 6.949 1 0 KKAFRO CCCN(C(=O)[C@H](C)C1(OC(=O)CC)CC[NH+](CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555079 561869355 /nfs/dbraw/zinc/86/93/55/561869355.db2.gz YBHLXOUBLDFNAH-QFIPXVFZSA-N 1 0 515.094 5.758 1 0 KKAFRO O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000027556923 561869684 /nfs/dbraw/zinc/86/96/84/561869684.db2.gz AWALKBINULQLLD-YTTGMZPUSA-N 1 0 543.707 7.207 1 0 KKAFRO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000027633919 561874115 /nfs/dbraw/zinc/87/41/15/561874115.db2.gz GQHUTLHEBZVCAN-UHFFFAOYSA-N 1 0 550.151 5.019 1 0 KKAFRO CCOC(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027558913 561870077 /nfs/dbraw/zinc/87/00/77/561870077.db2.gz QFDXVXLZVSGZMM-UHFFFAOYSA-N 1 0 612.771 6.585 1 0 KKAFRO Cc1ncc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2c1OC(C)(C)OC2 ZINC000027657260 561878080 /nfs/dbraw/zinc/87/80/80/561878080.db2.gz AJDNKNBOMNPMDU-WUKNDPDISA-N 1 0 554.735 5.352 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(C)C)cc3)cc1)CC2 ZINC000027657792 561878254 /nfs/dbraw/zinc/87/82/54/561878254.db2.gz IHWSOHYQIOIGLP-UHFFFAOYSA-N 1 0 577.725 6.933 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cc4ccccc4cn3)cc1)CC2 ZINC000027705430 561878626 /nfs/dbraw/zinc/87/86/26/561878626.db2.gz HTCMDXXNHXLPRD-UHFFFAOYSA-N 1 0 586.692 6.357 1 0 KKAFRO O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000027732387 561881386 /nfs/dbraw/zinc/88/13/86/561881386.db2.gz SDGLFROMTUFTNB-UHFFFAOYSA-N 1 0 556.728 5.985 1 0 KKAFRO COc1ccc([C@H]2Sc3cc(F)ccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736170 561881861 /nfs/dbraw/zinc/88/18/61/561881861.db2.gz AEKRAIGQUFARMX-IZZNHLLZSA-N 1 0 508.615 5.110 1 0 KKAFRO c1ccc2c(c1)[nH]c1c2CCN(c2ncc(-c3ccc(OCC[NH+]4CCCC4)cc3)cn2)[C@@H]1c1ccc2c(c1)CCO2 ZINC000027868598 561887985 /nfs/dbraw/zinc/88/79/85/561887985.db2.gz ARHUEIJTBOZVJC-UUWRZZSWSA-N 1 0 557.698 6.187 1 0 KKAFRO COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CC[NH+](C)CC3)n2Cc2ccccc21 ZINC000027873439 561888338 /nfs/dbraw/zinc/88/83/38/561888338.db2.gz SUAPLVPXYIPBOE-UHFFFAOYSA-N 1 0 625.773 6.372 1 0 KKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N@H+](C)CCCCc3ccccc3)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000027877261 561888741 /nfs/dbraw/zinc/88/87/41/561888741.db2.gz VXQKXTHFVVRBPP-JTSJOTPCSA-N 1 0 582.663 6.273 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]Cc2cccc3ncccc23)c1 ZINC000027894743 561890173 /nfs/dbraw/zinc/89/01/73/561890173.db2.gz VJQLADZPGDOWMD-GXUJUKEASA-N 1 0 584.808 8.324 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2ccnc3nc(C)ccc23)c1 ZINC000027897116 561890405 /nfs/dbraw/zinc/89/04/05/561890405.db2.gz LMOKTEDYOIQKRX-WTIAOWAESA-N 1 0 627.877 8.460 1 0 KKAFRO Cc1nc2ccc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)cc2[nH]1 ZINC000027897867 561890554 /nfs/dbraw/zinc/89/05/54/561890554.db2.gz ONPNRCWCFNPMNG-BKLRJVBYSA-N 1 0 601.839 8.003 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2cncc3ccccc32)c1 ZINC000027901147 561891000 /nfs/dbraw/zinc/89/10/00/561891000.db2.gz QEOLBVPGWRGQNL-GVOFKLESSA-N 1 0 626.889 9.147 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027999409 561894423 /nfs/dbraw/zinc/89/44/23/561894423.db2.gz ZJBAWYDJMNVFNG-XIFFEERXSA-N 1 0 655.579 5.715 1 0 KKAFRO COc1cccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000027999344 561894435 /nfs/dbraw/zinc/89/44/35/561894435.db2.gz RLQPXAHRPXSMLC-HKBQPEDESA-N 1 0 582.528 5.237 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028005971 561895472 /nfs/dbraw/zinc/89/54/72/561895472.db2.gz KUMDPCIGXPKGHU-HKBQPEDESA-N 1 0 566.720 5.822 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017895 561897715 /nfs/dbraw/zinc/89/77/15/561897715.db2.gz SBOQQQJCTLABKQ-NWLDEYSWSA-N 1 0 590.784 6.036 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028011326 561896422 /nfs/dbraw/zinc/89/64/22/561896422.db2.gz SFZUCFWFYJJCGY-RJISLUCMSA-N 1 0 576.785 7.158 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC000028011899 561896535 /nfs/dbraw/zinc/89/65/35/561896535.db2.gz KYMFFPXQUJYRLZ-DEIXXNFJSA-N 1 0 622.776 6.965 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012925 561896704 /nfs/dbraw/zinc/89/67/04/561896704.db2.gz ZTRZGKAWUDWYGL-MGBGTMOVSA-N 1 0 594.774 6.602 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC(C)C ZINC000028013606 561896833 /nfs/dbraw/zinc/89/68/33/561896833.db2.gz FAEAIUMVNYXDOL-DHUJRADRSA-N 1 0 668.662 6.491 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015558 561897251 /nfs/dbraw/zinc/89/72/51/561897251.db2.gz SXGWCYQQRNNIRO-RKKDRKJOSA-N 1 0 541.736 6.194 1 0 KKAFRO CCn1nc(Cc2ccc(C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016359 561897484 /nfs/dbraw/zinc/89/74/84/561897484.db2.gz GNLVMLODDVHEOL-HQRWHSCBSA-N 1 0 574.785 6.336 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028017190 561897524 /nfs/dbraw/zinc/89/75/24/561897524.db2.gz XNRDIULNKXSIMU-PTTLIBFYSA-N 1 0 632.865 7.205 1 0 KKAFRO Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000028018384 561897880 /nfs/dbraw/zinc/89/78/80/561897880.db2.gz OFEZZDSSTUQAKL-VPUSJEBWSA-N 1 0 523.518 8.609 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028020332 561898416 /nfs/dbraw/zinc/89/84/16/561898416.db2.gz DKYYISTXVPXPTC-JKULCMLZSA-N 1 0 610.818 7.180 1 0 KKAFRO COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1c[nH]c3ccc(OCc4ccccc4)cc13)CC2 ZINC000028023015 561898779 /nfs/dbraw/zinc/89/87/79/561898779.db2.gz BAKSTZOVUHNKDI-UHFFFAOYSA-N 1 0 541.692 5.256 1 0 KKAFRO COc1cc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000028022773 561898803 /nfs/dbraw/zinc/89/88/03/561898803.db2.gz ZMSFSLCQKJLFEX-UHFFFAOYSA-N 1 0 550.721 5.856 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1C ZINC000028086490 561899087 /nfs/dbraw/zinc/89/90/87/561899087.db2.gz OXBZNPLKDFFHHC-XIFFEERXSA-N 1 0 624.609 6.012 1 0 KKAFRO CCn1nc(Cc2cccc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086976 561899246 /nfs/dbraw/zinc/89/92/46/561899246.db2.gz YJMCMZGIYUMSRA-HMQVCXRFSA-N 1 0 604.786 6.701 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccccc1 ZINC000028092267 561900140 /nfs/dbraw/zinc/90/01/40/561900140.db2.gz UKXFQNNXQPKCRG-AOYPEHQESA-N 1 0 516.605 5.248 1 0 KKAFRO O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028093150 561900391 /nfs/dbraw/zinc/90/03/91/561900391.db2.gz STUWFURQGSMWES-UUWRZZSWSA-N 1 0 607.883 7.496 1 0 KKAFRO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028095638 561900805 /nfs/dbraw/zinc/90/08/05/561900805.db2.gz LTMRDWVSJXSDFC-OKRUAUFTSA-N 1 0 604.811 6.426 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028101574 561901674 /nfs/dbraw/zinc/90/16/74/561901674.db2.gz TYHJTHRDXNOUJP-UHFFFAOYSA-N 1 0 550.721 6.204 1 0 KKAFRO O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028101221 561901736 /nfs/dbraw/zinc/90/17/36/561901736.db2.gz ZNXQAFLLESPBNZ-BYYXFNHRSA-N 1 0 662.919 6.317 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)cc1 ZINC000028103939 561902031 /nfs/dbraw/zinc/90/20/31/561902031.db2.gz NJCWRUFKIIYUGD-UHFFFAOYSA-N 1 0 532.431 6.447 1 0 KKAFRO Cc1sc2cc(Cl)cc(Cl)c2c1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000028109727 561902906 /nfs/dbraw/zinc/90/29/06/561902906.db2.gz COIOGAJPPKWJFQ-UHFFFAOYSA-N 1 0 507.468 5.275 1 0 KKAFRO COc1ccc(CCN(CC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(N)=O)C(=O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000028116584 561903732 /nfs/dbraw/zinc/90/37/32/561903732.db2.gz XQHXETWMDFKCEW-UHFFFAOYSA-N 1 0 710.919 6.414 1 0 KKAFRO COc1cccc(NC(=O)NC[C@@H](CCN2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028115762 561903769 /nfs/dbraw/zinc/90/37/69/561903769.db2.gz AUAOCEZREQZZSP-JOCHJYFZSA-N 1 0 533.544 6.248 1 0 KKAFRO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCC[NH+](C)C)cc3)nc21 ZINC000028128078 561905259 /nfs/dbraw/zinc/90/52/59/561905259.db2.gz USNDHZKEPOBCSD-UHFFFAOYSA-N 1 0 554.478 5.473 1 0 KKAFRO CN(C)c1nc(NC2CCC([NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028129566 561905590 /nfs/dbraw/zinc/90/55/90/561905590.db2.gz PUTAQVRRQAPAQX-UHFFFAOYSA-N 1 0 538.412 5.870 1 0 KKAFRO Cn1c(C[NH+]2CCC(CNC(=O)Nc3ccccc3F)(c3ccc(-c4cccnc4)cc3)CC2)nc2ccccc21 ZINC000028131516 561905790 /nfs/dbraw/zinc/90/57/90/561905790.db2.gz WOJQTUNMSZROGP-UHFFFAOYSA-N 1 0 548.666 6.130 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3ccc(Cl)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028131608 561905820 /nfs/dbraw/zinc/90/58/20/561905820.db2.gz FQKFCSCEGXBUGR-AREMUKBSSA-N 1 0 530.109 6.202 1 0 KKAFRO CN(C)c1nc(NCC2CCC(C[N@H+](C)Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028134008 561906324 /nfs/dbraw/zinc/90/63/24/561906324.db2.gz KSWFHJFVFLWBLC-UHFFFAOYSA-N 1 0 580.493 6.707 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028135534 561906467 /nfs/dbraw/zinc/90/64/67/561906467.db2.gz CNISADGWAXQKOC-AREMUKBSSA-N 1 0 563.661 6.567 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)COc2ccc(C(C)(C)C)cc2)C1)[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000028136667 561906781 /nfs/dbraw/zinc/90/67/81/561906781.db2.gz SXVLTSDSQOWRHK-IZLXSDGUSA-N 1 0 569.190 5.308 1 0 KKAFRO Cc1ccccc1-c1nc(N2CCC([NH+]3CCCC3)CC2)cc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028136577 561906796 /nfs/dbraw/zinc/90/67/96/561906796.db2.gz VMTVRAUVUFYILY-UHFFFAOYSA-N 1 0 646.676 7.584 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222851 561907496 /nfs/dbraw/zinc/90/74/96/561907496.db2.gz XAFRMWKYQDAPBI-CICSPNOPSA-N 1 0 589.664 10.001 1 0 KKAFRO C[N@H+](Cc1c(-c2ccc(NC(=O)c3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241456 561910509 /nfs/dbraw/zinc/91/05/09/561910509.db2.gz BUQOFLIIFITOQJ-UHFFFAOYSA-N 1 0 698.795 8.092 1 0 KKAFRO CCC[N@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330477 561912716 /nfs/dbraw/zinc/91/27/16/561912716.db2.gz FVWCNIKFUOASRR-UHFFFAOYSA-N 1 0 522.851 8.320 1 0 KKAFRO COc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028335243 561913227 /nfs/dbraw/zinc/91/32/27/561913227.db2.gz INYBXIQUYWHWTN-MHZLTWQESA-N 1 0 525.690 5.557 1 0 KKAFRO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028336846 561913473 /nfs/dbraw/zinc/91/34/73/561913473.db2.gz WGXAZPDTCSPECN-DQEYMECFSA-N 1 0 502.705 6.727 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1F)C(C)C ZINC000028339203 561913705 /nfs/dbraw/zinc/91/37/05/561913705.db2.gz NGEFURRUCWYGGW-SSEXGKCCSA-N 1 0 531.672 5.379 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CC(C)(C)C)C(C)C ZINC000028339189 561913725 /nfs/dbraw/zinc/91/37/25/561913725.db2.gz OWVVIYWQZSLTPF-GDLZYMKVSA-N 1 0 507.719 5.363 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)[C@@H](C)c1ccccc1)C(C)C ZINC000028341566 561914121 /nfs/dbraw/zinc/91/41/21/561914121.db2.gz RJFXQJUFBZNFJI-XYFQYJLHSA-N 1 0 541.736 5.730 1 0 KKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234198 561909539 /nfs/dbraw/zinc/90/95/39/561909539.db2.gz CUHYWMPQBBEVBL-MLKSZZLFSA-N 1 0 534.638 6.374 1 0 KKAFRO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238513 561910114 /nfs/dbraw/zinc/91/01/14/561910114.db2.gz XWMQCIPHPXPSTF-UHFFFAOYSA-N 1 0 650.751 7.188 1 0 KKAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 ZINC000028347094 561915086 /nfs/dbraw/zinc/91/50/86/561915086.db2.gz YQMMWNSOEMZESN-PBBNMVCDSA-N 1 0 543.689 5.526 1 0 KKAFRO CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[NH+](C4CCCCC4)CC3)c2)cc1C(F)(F)F ZINC000028347997 561915177 /nfs/dbraw/zinc/91/51/77/561915177.db2.gz XJEHHKSYPTUVIL-UHFFFAOYSA-N 1 0 539.711 8.497 1 0 KKAFRO O[C@@H](CNc1ccc(Cl)c(Cl)c1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028364279 561917209 /nfs/dbraw/zinc/91/72/09/561917209.db2.gz YXZQRYUXEJHIIZ-SANMLTNESA-N 1 0 548.505 6.274 1 0 KKAFRO C[C@@H]([NH2+]C1CCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373477 561918733 /nfs/dbraw/zinc/91/87/33/561918733.db2.gz JNWGDHXQXYFGAM-PBHCEWPQSA-N 1 0 614.234 5.024 1 0 KKAFRO O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028374090 561918977 /nfs/dbraw/zinc/91/89/77/561918977.db2.gz QLKFBQLRRLSYJQ-UHFFFAOYSA-N 1 0 509.164 5.532 1 0 KKAFRO O=C(CCCN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028375735 561919244 /nfs/dbraw/zinc/91/92/44/561919244.db2.gz BGIMAXGIMFDFBM-UHFFFAOYSA-N 1 0 699.239 8.393 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000028391897 561922374 /nfs/dbraw/zinc/92/23/74/561922374.db2.gz XGJNWLZYRWFKRA-QHCPKHFHSA-N 1 0 529.483 6.362 1 0 KKAFRO COC(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028397481 561923293 /nfs/dbraw/zinc/92/32/93/561923293.db2.gz WEHXYCJSKSNRKW-UHFFFAOYSA-N 1 0 532.002 6.192 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028461179 561925140 /nfs/dbraw/zinc/92/51/40/561925140.db2.gz VLQGURFNWDTOFC-HAQLSYKPSA-N 1 0 621.178 6.015 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3C[NH2+]CCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028461222 561925279 /nfs/dbraw/zinc/92/52/79/561925279.db2.gz HZMVJLWFSIUIPU-KCWXNJEJSA-N 1 0 622.166 5.101 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(C)cc3)c2=O)cc1 ZINC000028464925 561926160 /nfs/dbraw/zinc/92/61/60/561926160.db2.gz ZDKHMQQRMDPLQW-UVQZXEQTSA-N 1 0 603.188 5.795 1 0 KKAFRO Cc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c(Cl)c1 ZINC000028472874 561927246 /nfs/dbraw/zinc/92/72/46/561927246.db2.gz FFGXUVZDLUDJMS-DEOSSOPVSA-N 1 0 531.937 5.545 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1nccc2ccccc21 ZINC000028472492 561927282 /nfs/dbraw/zinc/92/72/82/561927282.db2.gz FYWJICYTASRDFO-NRFANRHFSA-N 1 0 511.497 5.648 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccc(Cl)cc2)c2cccc(F)c2)CC1 ZINC000028528266 561932944 /nfs/dbraw/zinc/93/29/44/561932944.db2.gz SQROPWBJFAXFDI-PMERELPUSA-N 1 0 571.158 5.960 1 0 KKAFRO O=C(CNc1nccc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1 ZINC000028524682 561930860 /nfs/dbraw/zinc/93/08/60/561930860.db2.gz HTATXMNWMOTRSL-UHFFFAOYSA-N 1 0 536.533 5.520 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc(F)cc3)cs2)cc1 ZINC000028525206 561931162 /nfs/dbraw/zinc/93/11/62/561931162.db2.gz CPGYVAKLGMDWEA-YTTGMZPUSA-N 1 0 601.769 6.130 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cc[n+](CC)cc3)cc2)[C@H]1O ZINC000028525440 561931344 /nfs/dbraw/zinc/93/13/44/561931344.db2.gz GAYVRUZQEDSNFL-CZNDPXEESA-N 1 0 579.827 6.286 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCOCCOCC[NH+](CC)CC)cc2)[C@H]1O ZINC000028525756 561931619 /nfs/dbraw/zinc/93/16/19/561931619.db2.gz UFHHHSCOCABBCH-VSJLXWSYSA-N 1 0 646.935 6.153 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)cc2)C1=O ZINC000028526256 561931988 /nfs/dbraw/zinc/93/19/88/561931988.db2.gz LTBDUUVNJFIMTM-RWYGWLOXSA-N 1 0 743.909 5.268 1 0 KKAFRO CCC[NH+](CCC)[C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528327 561932914 /nfs/dbraw/zinc/93/29/14/561932914.db2.gz KHNUKPJNDHSXDI-ICMREOOQSA-N 1 0 656.315 5.410 1 0 KKAFRO CC(C)(C)[NH+]1CCC(Oc2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028564989 561935790 /nfs/dbraw/zinc/93/57/90/561935790.db2.gz JQOVBKYILXMYIK-UHFFFAOYSA-N 1 0 557.468 7.884 1 0 KKAFRO COc1cc(-c2nn(C3CC[NH+](C4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565138 561935894 /nfs/dbraw/zinc/93/58/94/561935894.db2.gz ACWCZTSMEMBDNR-UHFFFAOYSA-N 1 0 626.659 5.225 1 0 KKAFRO CCCCn1c2ncccc2c(-c2cccc(OCCC[NH+](CC)CC)c2)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c1=O ZINC000028565292 561936003 /nfs/dbraw/zinc/93/60/03/561936003.db2.gz NCTLCYGTFVEYGL-UHFFFAOYSA-N 1 0 640.873 8.447 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565377 561936014 /nfs/dbraw/zinc/93/60/14/561936014.db2.gz YQMXHHPOKLHLOD-UHFFFAOYSA-N 1 0 541.469 8.221 1 0 KKAFRO O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3)Oc1ccccc1 ZINC000028567335 561936662 /nfs/dbraw/zinc/93/66/62/561936662.db2.gz KQRGFLVMMWWNDC-XNLCPIGASA-N 1 0 571.802 8.177 1 0 KKAFRO O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3)Oc1ccccc1 ZINC000028567338 561936696 /nfs/dbraw/zinc/93/66/96/561936696.db2.gz KQRGFLVMMWWNDC-MPCGXURCSA-N 1 0 571.802 8.177 1 0 KKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc12 ZINC000028570716 561938972 /nfs/dbraw/zinc/93/89/72/561938972.db2.gz FCYYWOZROBLFFV-UHFFFAOYSA-N 1 0 506.572 6.479 1 0 KKAFRO C[C@@H](CCCN1C(=O)CCc2ccccc21)[NH+]1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000028568151 561937235 /nfs/dbraw/zinc/93/72/35/561937235.db2.gz HSONZWPNORZWDX-IBGZPJMESA-N 1 0 503.613 5.063 1 0 KKAFRO C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028568944 561937634 /nfs/dbraw/zinc/93/76/34/561937634.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 0 515.673 5.343 1 0 KKAFRO O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000028571811 561939497 /nfs/dbraw/zinc/93/94/97/561939497.db2.gz SLQATEXLOSCKLW-KAYWLYCHSA-N 1 0 522.089 5.578 1 0 KKAFRO CC1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028571799 561939559 /nfs/dbraw/zinc/93/95/59/561939559.db2.gz FLJLGJKLCGQKKZ-RRPNLBNLSA-N 1 0 506.090 6.101 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000028572268 561939932 /nfs/dbraw/zinc/93/99/32/561939932.db2.gz HZZAYXBBVGQYQB-DFZDUAMZSA-N 1 0 536.589 5.575 1 0 KKAFRO CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028635405 561941009 /nfs/dbraw/zinc/94/10/09/561941009.db2.gz KNCIAPXAOKJOKJ-GDLZYMKVSA-N 1 0 534.708 5.293 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(Br)cc1 ZINC000028635408 561941012 /nfs/dbraw/zinc/94/10/12/561941012.db2.gz XQLDKPBHSNVITF-AREMUKBSSA-N 1 0 571.523 5.298 1 0 KKAFRO O=C(CCOc1c[nH]c2ccccc21)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000028637614 561941803 /nfs/dbraw/zinc/94/18/03/561941803.db2.gz XQNXEBIMAZOJIM-UHFFFAOYSA-N 1 0 519.089 6.806 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645298 561944566 /nfs/dbraw/zinc/94/45/66/561944566.db2.gz BSGKYQFTDXUWSC-URXFXBBRSA-N 1 0 512.538 6.779 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000028645324 561944577 /nfs/dbraw/zinc/94/45/77/561944577.db2.gz UAKDPJAUOVRMIX-FRKLKZNZSA-N 1 0 550.587 7.206 1 0 KKAFRO O=C1[C@H](CC[NH+]2CCC(c3ccccc3)CC2)CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645265 561944613 /nfs/dbraw/zinc/94/46/13/561944613.db2.gz URWGNKZQFDLBGV-QFIPXVFZSA-N 1 0 512.538 6.733 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645292 561944615 /nfs/dbraw/zinc/94/46/15/561944615.db2.gz BSGKYQFTDXUWSC-XUZZJYLKSA-N 1 0 512.538 6.779 1 0 KKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000028710181 561951133 /nfs/dbraw/zinc/95/11/33/561951133.db2.gz INMZLZRTJQLJQQ-UHFFFAOYSA-N 1 0 527.709 5.211 1 0 KKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000028710189 561951149 /nfs/dbraw/zinc/95/11/49/561951149.db2.gz BMVZQYRVHRLKTR-UHFFFAOYSA-N 1 0 507.694 5.926 1 0 KKAFRO O=C(Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000028702807 561947289 /nfs/dbraw/zinc/94/72/89/561947289.db2.gz VBEHDKBVXALMGR-MUUNZHRXSA-N 1 0 674.711 8.103 1 0 KKAFRO CN(C)C(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702813 561947313 /nfs/dbraw/zinc/94/73/13/561947313.db2.gz ZLTZAEOIQWFTMQ-XMMPIXPASA-N 1 0 641.682 6.944 1 0 KKAFRO CCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704062 561948271 /nfs/dbraw/zinc/94/82/71/561948271.db2.gz QVUCDCFWXARAJF-UDJVMPNMSA-N 1 0 528.634 7.106 1 0 KKAFRO O=C(OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028704238 561948358 /nfs/dbraw/zinc/94/83/58/561948358.db2.gz TZFFDBICDWTCQG-SANMLTNESA-N 1 0 560.160 5.717 1 0 KKAFRO O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1[C@H]1CCCc2ccccc21 ZINC000028704485 561948542 /nfs/dbraw/zinc/94/85/42/561948542.db2.gz BAFGXZMFFXRBQV-HKBQPEDESA-N 1 0 563.677 5.888 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cncnc5)cc4)CC3)C2=O)c1 ZINC000028704494 561948571 /nfs/dbraw/zinc/94/85/71/561948571.db2.gz CTXRHMHOCAVELO-UHFFFAOYSA-N 1 0 551.622 5.295 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cccc(C(C)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704536 561948645 /nfs/dbraw/zinc/94/86/45/561948645.db2.gz SIRWJQPRPKEEGY-UHFFFAOYSA-N 1 0 591.683 6.708 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cnccc5OC)cc4)CC3)C2=O)c1 ZINC000028704512 561948680 /nfs/dbraw/zinc/94/86/80/561948680.db2.gz IIFWQQSTZJCTCC-UHFFFAOYSA-N 1 0 580.660 5.909 1 0 KKAFRO COc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 ZINC000028707552 561950015 /nfs/dbraw/zinc/95/00/15/561950015.db2.gz IQBKNLZJPZVXMN-HNRBIFIRSA-N 1 0 506.650 5.677 1 0 KKAFRO O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)c1nn(-c2ccccc2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711994 561952553 /nfs/dbraw/zinc/95/25/53/561952553.db2.gz QNXJFBIMEJJSSL-UHFFFAOYSA-N 1 0 607.940 5.972 1 0 KKAFRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(=O)c3cc(Oc4ccc(F)cc4)ccc3nc2-c2ccc(OCCO)cc2F)C1 ZINC000028712171 561952838 /nfs/dbraw/zinc/95/28/38/561952838.db2.gz RAEJKTOPJXEBES-OAQYLSRUSA-N 1 0 549.618 5.626 1 0 KKAFRO Cc1cnc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000028712458 561952938 /nfs/dbraw/zinc/95/29/38/561952938.db2.gz PXLGTQTYMBVHFH-UHFFFAOYSA-N 1 0 524.694 5.885 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1 ZINC000028712500 561953000 /nfs/dbraw/zinc/95/30/00/561953000.db2.gz KEOZDNQHXGUGES-UHFFFAOYSA-N 1 0 508.642 5.052 1 0 KKAFRO CCOc1ccc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)cc1C[NH+](CC)CC ZINC000028759368 561957585 /nfs/dbraw/zinc/95/75/85/561957585.db2.gz NOJVBTINKRABNL-UHFFFAOYSA-N 1 0 554.526 7.266 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@@](CCC[NH+]2CCC3(CN(c4ccccc4)NC3=O)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028765063 561959446 /nfs/dbraw/zinc/95/94/46/561959446.db2.gz HPPQGIFLKZFURI-MGBGTMOVSA-N 1 0 605.610 6.581 1 0 KKAFRO COc1ccc(C[NH2+]Cc2cc3c(C)c(C)[nH]c(=O)c3c3c2nc(Nc2c(Cl)cccc2Cl)n3C)cc1 ZINC000028765501 561959540 /nfs/dbraw/zinc/95/95/40/561959540.db2.gz CABKXSSPRMCOHF-UHFFFAOYSA-N 1 0 536.463 6.380 1 0 KKAFRO CC[N@H+](CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766555 561959808 /nfs/dbraw/zinc/95/98/08/561959808.db2.gz NHPXDBZGHFXSRP-MUUNZHRXSA-N 1 0 525.730 6.869 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cs1 ZINC000028770937 561961260 /nfs/dbraw/zinc/96/12/60/561961260.db2.gz FBZDLQUVQZVNAE-UHFFFAOYSA-N 1 0 500.696 5.654 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816349 561964127 /nfs/dbraw/zinc/96/41/27/561964127.db2.gz QRSZJGGQSYYERE-GSFSDPDBSA-N 1 0 680.933 9.994 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816504 561964231 /nfs/dbraw/zinc/96/42/31/561964231.db2.gz ZVFYYUNCJRTCOQ-BBVXACFBSA-N 1 0 546.133 5.177 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816506 561964245 /nfs/dbraw/zinc/96/42/45/561964245.db2.gz PIUIWUNTOBSJLS-YWEHKCAJSA-N 1 0 578.150 5.851 1 0 KKAFRO CC(=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816614 561964375 /nfs/dbraw/zinc/96/43/75/561964375.db2.gz AGAUQIKGMPLDGM-LYBFBAGVSA-N 1 0 534.813 8.185 1 0 KKAFRO Cc1cc(COc2ccc(S(=O)(=O)C[C@H](CC3CC[NH+](C(C)(C)C)CC3)N(O)C=O)cc2)c2ccccc2n1 ZINC000028816860 561964385 /nfs/dbraw/zinc/96/43/85/561964385.db2.gz BUDIJDXJWOVXRJ-VWLOTQADSA-N 1 0 553.725 5.013 1 0 KKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)cn2Cc1ccccc1 ZINC000028816590 561964405 /nfs/dbraw/zinc/96/44/05/561964405.db2.gz OXUWROUAFZTXKZ-OFTHAETASA-N 1 0 528.765 7.886 1 0 KKAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000028818473 561965216 /nfs/dbraw/zinc/96/52/16/561965216.db2.gz JPJXVZBGYBEWQN-UIOOFZCWSA-N 1 0 576.166 5.784 1 0 KKAFRO Cc1ccc(N[C@H](O)c2ccc(CN3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818951 561965544 /nfs/dbraw/zinc/96/55/44/561965544.db2.gz UIQVTQZGYNQWLN-KCWXNJEJSA-N 1 0 592.670 5.491 1 0 KKAFRO CCn1c(=O)[nH]c2cc(CC[NH2+]C[C@@H](C)c3c4c([nH]c3-c3cc(C)cc(C)c3)CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)C4)ccc2c1=O ZINC000028823039 561967714 /nfs/dbraw/zinc/96/77/14/561967714.db2.gz JZNJQYJAQCLZEO-XMMPIXPASA-N 1 0 703.781 6.543 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCOc2ccc(-c4nn[nH]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823045 561967890 /nfs/dbraw/zinc/96/78/90/561967890.db2.gz PJOOYZYPULECSK-HSZRJFAPSA-N 1 0 675.731 6.536 1 0 KKAFRO COc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823402 561967958 /nfs/dbraw/zinc/96/79/58/561967958.db2.gz YXQLMJXUEWTNKD-UHFFFAOYSA-N 1 0 547.788 7.199 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(C(N)=O)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823405 561967961 /nfs/dbraw/zinc/96/79/61/561967961.db2.gz ARZAWPCHSKVMLU-UHFFFAOYSA-N 1 0 560.787 6.289 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823892 561968555 /nfs/dbraw/zinc/96/85/55/561968555.db2.gz YXPCHDOWVWAKKP-AZGAKELHSA-N 1 0 599.525 5.940 1 0 KKAFRO Oc1cc(Nc2ccnc3cc(-c4cccc(C[NH2+]CCN5CCOCC5)c4)ccc32)c(F)cc1Cl ZINC000028823951 561968708 /nfs/dbraw/zinc/96/87/08/561968708.db2.gz KWEPTXFPNVUYJW-UHFFFAOYSA-N 1 0 507.009 5.565 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)CCCc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824096 561968819 /nfs/dbraw/zinc/96/88/19/561968819.db2.gz YXWRVXVJHDATEF-UKAHRKLESA-N 1 0 601.235 6.218 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824065 561968826 /nfs/dbraw/zinc/96/88/26/561968826.db2.gz FCQOEQSBNULOKQ-JBOQNHBVSA-N 1 0 627.151 6.609 1 0 KKAFRO C[C@@H]([NH2+]CCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824127 561968983 /nfs/dbraw/zinc/96/89/83/561968983.db2.gz NHPJKBQBCRAMLO-OAQYLSRUSA-N 1 0 520.077 5.847 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824109 561969078 /nfs/dbraw/zinc/96/90/78/561969078.db2.gz TUADGRKEFXOYCW-GKRYNVPLSA-N 1 0 563.117 5.340 1 0 KKAFRO COC(=O)c1oc2cc(F)ccc2c1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824379 561969534 /nfs/dbraw/zinc/96/95/34/561969534.db2.gz KHQBPFWJMSVKLA-DEOSSOPVSA-N 1 0 642.650 5.386 1 0 KKAFRO COC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824381 561969548 /nfs/dbraw/zinc/96/95/48/561969548.db2.gz WGUZZROGPWEHAR-XMMPIXPASA-N 1 0 658.718 5.854 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc(Cl)ccc43)CC2)C1 ZINC000028824425 561969642 /nfs/dbraw/zinc/96/96/42/561969642.db2.gz CBAHBYVRCZJSCQ-QHCPKHFHSA-N 1 0 636.140 5.262 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825209 561970578 /nfs/dbraw/zinc/97/05/78/561970578.db2.gz QOPWWVFDWSBQHN-NAKRPHOHSA-N 1 0 588.818 5.442 1 0 KKAFRO COCC[NH+]1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825265 561970697 /nfs/dbraw/zinc/97/06/97/561970697.db2.gz LZSYWPOCNPXNQG-UHFFFAOYSA-N 1 0 565.114 6.027 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3Br)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826000 561971042 /nfs/dbraw/zinc/97/10/42/561971042.db2.gz MKHQXXMBKBWNLU-UHFFFAOYSA-N 1 0 564.612 7.748 1 0 KKAFRO Cc1cccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)c1 ZINC000028825990 561971076 /nfs/dbraw/zinc/97/10/76/561971076.db2.gz UQSKRIYMIAGQFF-UHFFFAOYSA-N 1 0 605.867 8.591 1 0 KKAFRO COc1cc(Cl)c(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000028826067 561971100 /nfs/dbraw/zinc/97/11/00/561971100.db2.gz CAGGFSBFLDCAIQ-UHFFFAOYSA-N 1 0 580.213 7.656 1 0 KKAFRO NC(=[NH2+])NC1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826253 561971276 /nfs/dbraw/zinc/97/12/76/561971276.db2.gz PPWNEDOFJSFQAR-JXMROGBWSA-N 1 0 553.795 7.023 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CC[NH+](CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826477 561971327 /nfs/dbraw/zinc/97/13/27/561971327.db2.gz AZZYTBNDKWLIQD-UHFFFAOYSA-N 1 0 611.183 5.322 1 0 KKAFRO O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CC[NH+](CCN2C(=O)COc3ccccc32)CC1 ZINC000028826506 561971373 /nfs/dbraw/zinc/97/13/73/561971373.db2.gz OPEGMUOHWDCNGL-UHFFFAOYSA-N 1 0 645.200 5.724 1 0 KKAFRO CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827225 561971567 /nfs/dbraw/zinc/97/15/67/561971567.db2.gz OWRHDDWGVSCVLM-RCZVLFRGSA-N 1 0 538.154 5.281 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000028879526 561976427 /nfs/dbraw/zinc/97/64/27/561976427.db2.gz HSJXMFJMCVMAKI-VSGBNLITSA-N 1 0 640.168 6.628 1 0 KKAFRO NC(=[NH2+])c1ccc(CC[C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869505 561973767 /nfs/dbraw/zinc/97/37/67/561973767.db2.gz MWBNFSUYTZMPST-MUUNZHRXSA-N 1 0 543.560 6.507 1 0 KKAFRO O=C(OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879097 561976149 /nfs/dbraw/zinc/97/61/49/561976149.db2.gz ZIKGOADCTDQKTA-XTEPFMGCSA-N 1 0 596.140 5.990 1 0 KKAFRO [NH3+]CCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825193 561970489 /nfs/dbraw/zinc/97/04/89/561970489.db2.gz DMTJPIHUQLTAJL-HHHXNRCGSA-N 1 0 576.807 5.477 1 0 KKAFRO [NH3+]CCCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825194 561970501 /nfs/dbraw/zinc/97/05/01/561970501.db2.gz DMTJPIHUQLTAJL-MHZLTWQESA-N 1 0 576.807 5.477 1 0 KKAFRO CC[NH+](CC)CCC[C@H](NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C ZINC000028887363 561977795 /nfs/dbraw/zinc/97/77/95/561977795.db2.gz XFXXRSCPBSTFIY-PMERELPUSA-N 1 0 595.615 8.031 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887322 561977810 /nfs/dbraw/zinc/97/78/10/561977810.db2.gz YEMCMLVTIDTYOE-QFIPXVFZSA-N 1 0 566.577 7.428 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887435 561977905 /nfs/dbraw/zinc/97/79/05/561977905.db2.gz CJVBCOWJOPIJSO-XMMPIXPASA-N 1 0 531.144 7.295 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887482 561977957 /nfs/dbraw/zinc/97/79/57/561977957.db2.gz DUHCBIIVYFQPKC-HSZRJFAPSA-N 1 0 632.693 8.680 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(CC4CC[NH2+]CC4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889632 561978063 /nfs/dbraw/zinc/97/80/63/561978063.db2.gz SJYNPVUODRUKRP-UHFFFAOYSA-N 1 0 517.073 5.627 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897671 561979383 /nfs/dbraw/zinc/97/93/83/561979383.db2.gz GKXOETCIZGEUHB-UHFFFAOYSA-N 1 0 597.081 5.905 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N(Cc3ccccc3)C(=O)Nc3cccc(C(F)(F)F)c3)CC1)=CC2 ZINC000028956943 561983193 /nfs/dbraw/zinc/98/31/93/561983193.db2.gz FVBKJPXXTPBNAA-HOFKKMOUSA-N 1 0 511.632 7.196 1 0 KKAFRO O=C(/C=C/c1ccc(Br)cc1)N1CCC(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957837 561983463 /nfs/dbraw/zinc/98/34/63/561983463.db2.gz SVKHPURJFBRJLV-XCVCLJGOSA-N 1 0 501.896 6.234 1 0 KKAFRO CC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000028960039 561983883 /nfs/dbraw/zinc/98/38/83/561983883.db2.gz RJCWIAPKBSNOLS-LXQNXJGFSA-N 1 0 539.164 5.254 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@@H]3CCC[N@@H+](CC(C)C)C3)n2)s1 ZINC000028961219 561984063 /nfs/dbraw/zinc/98/40/63/561984063.db2.gz CGFALRMOMFBRRO-FQEVSTJZSA-N 1 0 598.695 7.303 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+]2CC[C@H](C(=O)N3CCOCC3)[C@H](C)C2)c1 ZINC000028961721 561984424 /nfs/dbraw/zinc/98/44/24/561984424.db2.gz ATYOFXVORANGGC-NQLJOZAMSA-N 1 0 630.899 6.304 1 0 KKAFRO CC(C)C(=O)Nc1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1 ZINC000028967775 561985385 /nfs/dbraw/zinc/98/53/85/561985385.db2.gz JINILTRBRUIBFE-GOTSBHOMSA-N 1 0 500.668 6.331 1 0 KKAFRO O=C(NCc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967563 561985387 /nfs/dbraw/zinc/98/53/87/561985387.db2.gz VVKAQCHOXVGFCE-UHFFFAOYSA-N 1 0 562.739 7.188 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCC1 ZINC000028967724 561985394 /nfs/dbraw/zinc/98/53/94/561985394.db2.gz KCNYQNMEZYHMJL-RPWUZVMVSA-N 1 0 512.679 6.475 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2[NH3+])c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973216 561986241 /nfs/dbraw/zinc/98/62/41/561986241.db2.gz RBESMANDJBTCOU-UNPBUSPFSA-N 1 0 631.781 5.815 1 0 KKAFRO COc1ccc(NC(=O)[C@@H]([NH2+]C2CCCCC2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976236 561986775 /nfs/dbraw/zinc/98/67/75/561986775.db2.gz AAUVEKTZXPAQPR-NDEPHWFRSA-N 1 0 528.678 6.347 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028977882 561987506 /nfs/dbraw/zinc/98/75/06/561987506.db2.gz RJPIWPXFPIJADI-PMERELPUSA-N 1 0 575.717 5.220 1 0 KKAFRO CC[C@@H]1CCC[C@H](C2(CC(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038518 561988999 /nfs/dbraw/zinc/98/89/99/561988999.db2.gz KBQBORFEXVLABK-ZEQKJWHPSA-N 1 0 536.182 5.309 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCC(=O)c4ccccc4N)cc3)nc2n1 ZINC000028980046 561988440 /nfs/dbraw/zinc/98/84/40/561988440.db2.gz LQOQPLJMWKFALQ-UHFFFAOYSA-N 1 0 505.647 6.026 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040073 561990368 /nfs/dbraw/zinc/99/03/68/561990368.db2.gz XLRKVUXIKLTNKO-TVIOGVOPSA-N 1 0 550.587 7.063 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040088 561990402 /nfs/dbraw/zinc/99/04/02/561990402.db2.gz UWBHMEUINMIHQE-IFMRBHNFSA-N 1 0 564.614 7.453 1 0 KKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC000029040895 561990789 /nfs/dbraw/zinc/99/07/89/561990789.db2.gz NEWOCKYIUSCKBX-UHFFFAOYSA-N 1 0 524.496 6.081 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cccnc3)CC2)C1 ZINC000029041064 561990957 /nfs/dbraw/zinc/99/09/57/561990957.db2.gz NCJKKRRMGQPBBA-RSXGOPAZSA-N 1 0 541.580 6.810 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042847 561991587 /nfs/dbraw/zinc/99/15/87/561991587.db2.gz FCROUWTVYBCUMB-FVVBACEJSA-N 1 0 578.119 6.565 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2F)CC1 ZINC000029043366 561992071 /nfs/dbraw/zinc/99/20/71/561992071.db2.gz PWADIMGJQZHREF-XQFUHLNNSA-N 1 0 576.584 6.940 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029043856 561992216 /nfs/dbraw/zinc/99/22/16/561992216.db2.gz KXZARDUIYCLEFF-IQKOXAACSA-N 1 0 511.588 5.078 1 0 KKAFRO COc1ccc2c(c1)[nH]cc2C1CC[NH+]([C@@H](CO)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000029044828 561992244 /nfs/dbraw/zinc/99/22/44/561992244.db2.gz GHSCWZUANKDCMT-QQUMZOFZSA-N 1 0 541.614 5.086 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000029044691 561992261 /nfs/dbraw/zinc/99/22/61/561992261.db2.gz WBODQQAWQLKCCK-ALNLYGJTSA-N 1 0 529.578 5.217 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044506 561992266 /nfs/dbraw/zinc/99/22/66/561992266.db2.gz ORHKJNWCYHCDSW-QQUMZOFZSA-N 1 0 541.614 5.086 1 0 KKAFRO CCNC(=O)NC[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029046040 561992726 /nfs/dbraw/zinc/99/27/26/561992726.db2.gz BFQKLEKDFBXDCU-MFLZCGGFSA-N 1 0 581.683 5.404 1 0 KKAFRO c1c(-c2ccncc2)n[nH]c1C1CC[NH+](Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000029049378 561994016 /nfs/dbraw/zinc/99/40/16/561994016.db2.gz XKMWJYOBKIOXMZ-UHFFFAOYSA-N 1 0 522.656 7.129 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c(C)noc4C)c3=O)CC2)C(C)C)c1 ZINC000029061759 561995855 /nfs/dbraw/zinc/99/58/55/561995855.db2.gz DNWBVIHRXCWTCQ-SSEXGKCCSA-N 1 0 546.712 5.904 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncsn4)c3=O)CC2)C(C)C)c1 ZINC000029062175 561995857 /nfs/dbraw/zinc/99/58/57/561995857.db2.gz QEALVBRJCBVLMA-SANMLTNESA-N 1 0 535.714 5.150 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccccn4)c3=O)CC2)C(C)C)c1 ZINC000029062395 561996024 /nfs/dbraw/zinc/99/60/24/561996024.db2.gz QRYCCXDCLNDSPJ-SSEXGKCCSA-N 1 0 528.697 5.694 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccccn4)c3=O)CC2)C(C)C)c1 ZINC000029062389 561996076 /nfs/dbraw/zinc/99/60/76/561996076.db2.gz QRYCCXDCLNDSPJ-PMERELPUSA-N 1 0 528.697 5.694 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NCCC[NH+](C)C)sc2c1 ZINC000029126490 561998659 /nfs/dbraw/zinc/99/86/59/561998659.db2.gz KJAGSBJNOGHQFU-UHFFFAOYSA-N 1 0 555.626 6.492 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(CC(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127081 561999336 /nfs/dbraw/zinc/99/93/36/561999336.db2.gz LAGGNVKIMAMGMQ-UHFFFAOYSA-N 1 0 566.653 6.168 1 0 KKAFRO CCc1nn(C)c2cc3c(cc12)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127167 561999558 /nfs/dbraw/zinc/99/95/58/561999558.db2.gz FXBRDXOXJHZPDA-UHFFFAOYSA-N 1 0 525.726 5.371 1 0 KKAFRO CCCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127512 561999939 /nfs/dbraw/zinc/99/99/39/561999939.db2.gz UKHPZHQUPSAUMR-UHFFFAOYSA-N 1 0 526.710 6.015 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(C)C)oc5cc4CC3)n2C)n1 ZINC000029127510 561999966 /nfs/dbraw/zinc/99/99/66/561999966.db2.gz NRQJARQPULKWBG-UHFFFAOYSA-N 1 0 526.710 6.186 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C[NH+]3CCCC3)C2)cc1 ZINC000029128214 562000707 /nfs/dbraw/zinc/00/07/07/562000707.db2.gz DJIPAQKYTMAKDS-HKBQPEDESA-N 1 0 548.728 5.425 1 0 KKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000029130316 562002542 /nfs/dbraw/zinc/00/25/42/562002542.db2.gz ZXMLRIBTWAJYRQ-NJHZRGNWSA-N 1 0 533.690 5.526 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)CCc4ccc(F)c(F)c4)cc3oc2=O)cc1 ZINC000029131496 562003215 /nfs/dbraw/zinc/00/32/15/562003215.db2.gz QTSCLJVLMGAFJO-UHFFFAOYSA-N 1 0 596.674 6.888 1 0 KKAFRO CC1([NH+]2CCC(c3cc(-c4ccc(F)cc4Cl)c4c(c3)N(c3c(Cl)cccc3Cl)C(=O)NC4)CC2)CC1 ZINC000029133925 562003744 /nfs/dbraw/zinc/00/37/44/562003744.db2.gz BCCKAGLVBBEKGJ-UHFFFAOYSA-N 1 0 558.912 8.546 1 0 KKAFRO CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccc(C(F)(F)F)cc2)c(CC)[nH+]1 ZINC000029226083 562008197 /nfs/dbraw/zinc/00/81/97/562008197.db2.gz GJNMDGJJLJMTDU-UHFFFAOYSA-N 1 0 528.582 7.351 1 0 KKAFRO CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029226077 562008213 /nfs/dbraw/zinc/00/82/13/562008213.db2.gz PHRCAOKGQTVTFO-LJAQVGFWSA-N 1 0 601.754 5.111 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2cc(NCc3ccc(Cl)c(Cl)c3)ccc21 ZINC000029206291 562005212 /nfs/dbraw/zinc/00/52/12/562005212.db2.gz OBXBSEIUUKNDCN-UHFFFAOYSA-N 1 0 578.375 8.353 1 0 KKAFRO O=C(c1ccc2oc(C[N@H+]3CCCC[C@H]3Cn3cc(C(F)(F)F)ccc3=O)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029213161 562005990 /nfs/dbraw/zinc/00/59/90/562005990.db2.gz NLUGILSLRFHNCM-NDEPHWFRSA-N 1 0 648.682 6.429 1 0 KKAFRO O=C(c1ccc2oc(C[NH+]3CCC(n4cc(C(F)(F)F)ccc4=O)CC3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029213317 562006186 /nfs/dbraw/zinc/00/61/86/562006186.db2.gz HAOPKRIOLHXGOQ-UHFFFAOYSA-N 1 0 634.655 6.212 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000029326525 562013482 /nfs/dbraw/zinc/01/34/82/562013482.db2.gz DNCQXUOWEHOOQR-LJAQVGFWSA-N 1 0 576.625 5.348 1 0 KKAFRO CCOc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328206 562013664 /nfs/dbraw/zinc/01/36/64/562013664.db2.gz IXHHUENDPWGBBM-XMMPIXPASA-N 1 0 532.493 6.229 1 0 KKAFRO CCCCCCOc1ccc(CCOc2cc(OCCC[NH3+])ccc2C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000029333126 562013935 /nfs/dbraw/zinc/01/39/35/562013935.db2.gz YCMPALBFHIDSJC-UHFFFAOYSA-N 1 0 580.769 7.514 1 0 KKAFRO CCCCCCOc1cccc(CCOc2cc(OCCC[NH3+])ccc2C(=O)NC2c3ccccc3-c3ccccc32)c1 ZINC000029333131 562013937 /nfs/dbraw/zinc/01/39/37/562013937.db2.gz IIAWTHUWONZBPP-UHFFFAOYSA-N 1 0 578.753 7.495 1 0 KKAFRO Brc1ccc(CN(CCN2CC[NH+](CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000029346898 562016348 /nfs/dbraw/zinc/01/63/48/562016348.db2.gz DKLLAAOIWFKPBT-UHFFFAOYSA-N 1 0 571.401 6.469 1 0 KKAFRO O=C(c1cc(Br)cc(Br)c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029390052 562017154 /nfs/dbraw/zinc/01/71/54/562017154.db2.gz RDQXAZMERWVFCE-IZZNHLLZSA-N 1 0 593.363 6.766 1 0 KKAFRO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029392025 562017536 /nfs/dbraw/zinc/01/75/36/562017536.db2.gz GLQPSHHXUBPHPL-LOSJGSFVSA-N 1 0 607.620 6.827 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)N2CCC([NH+]3CCCC3)CC2)C1=O)NCc1cccc2ccccc21 ZINC000029394924 562018246 /nfs/dbraw/zinc/01/82/46/562018246.db2.gz PCTJQILUENEGPF-CYTLCNBWSA-N 1 0 639.649 5.883 1 0 KKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000029411747 562021905 /nfs/dbraw/zinc/02/19/05/562021905.db2.gz PDGYBCXJKZHOPO-SANMLTNESA-N 1 0 538.780 7.051 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029413057 562022314 /nfs/dbraw/zinc/02/23/14/562022314.db2.gz SMWNCXKOTUSXIC-OAQYLSRUSA-N 1 0 546.071 6.828 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1cccc(Br)c1)c2OCC[C@H]1CCCC[NH2+]1)NC1CC1 ZINC000029414595 562022658 /nfs/dbraw/zinc/02/26/58/562022658.db2.gz XHJQPYJPAAPTPG-QGZVFWFLSA-N 1 0 559.892 6.218 1 0 KKAFRO CCCN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1=O ZINC000029480471 562027231 /nfs/dbraw/zinc/02/72/31/562027231.db2.gz BGQKMAPKUALMFZ-XIFFEERXSA-N 1 0 584.809 6.415 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+](CCCCc2ccncc2)C(C)C)c1 ZINC000029417121 562023107 /nfs/dbraw/zinc/02/31/07/562023107.db2.gz DVIIIKHQAIRGHA-UHFFFAOYSA-N 1 0 604.883 8.554 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C(C)C)C(C)C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029462127 562023261 /nfs/dbraw/zinc/02/32/61/562023261.db2.gz IRPYXQBUQSNVTD-UHFFFAOYSA-N 1 0 616.872 7.237 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(CC(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029462170 562023267 /nfs/dbraw/zinc/02/32/67/562023267.db2.gz OFPQUYNEJTTZNE-HNRBIFIRSA-N 1 0 628.883 6.920 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccccc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029417516 562023268 /nfs/dbraw/zinc/02/32/68/562023268.db2.gz DLJDKEONMYMAPN-JOCHJYFZSA-N 1 0 545.083 7.433 1 0 KKAFRO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417510 562023271 /nfs/dbraw/zinc/02/32/71/562023271.db2.gz LWIDTHAGRJJGCM-UHFFFAOYSA-N 1 0 588.818 6.460 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+](CCCCc2ccncc2)CC(C)C)c1 ZINC000029464344 562023645 /nfs/dbraw/zinc/02/36/45/562023645.db2.gz OOAJRTTYQBLLKA-UHFFFAOYSA-N 1 0 618.910 8.801 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465331 562024194 /nfs/dbraw/zinc/02/41/94/562024194.db2.gz SECFZHGJDQJKBR-NSOVKSMOSA-N 1 0 564.818 7.679 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4C5CCC4CC5)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029465596 562024265 /nfs/dbraw/zinc/02/42/65/562024265.db2.gz HSMZFSFQDZIRKY-UHFFFAOYSA-N 1 0 612.840 6.745 1 0 KKAFRO O=C(Nc1ccncn1)c1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc(Cl)s1)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000029466516 562024499 /nfs/dbraw/zinc/02/44/99/562024499.db2.gz ZXGMYHMZLYZLFN-AWEZNQCLSA-N 1 0 544.464 5.929 1 0 KKAFRO Cn1c(Cc2ccc(C(N)=[NH2+])cc2)nc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000029471040 562025547 /nfs/dbraw/zinc/02/55/47/562025547.db2.gz DGTKDVQDJOYSOI-UHFFFAOYSA-N 1 0 555.504 5.287 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470945 562025564 /nfs/dbraw/zinc/02/55/64/562025564.db2.gz QWLVQDXAULJUAE-MWWYDIPRSA-N 1 0 708.003 5.437 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000029489735 562029190 /nfs/dbraw/zinc/02/91/90/562029190.db2.gz OGKLLMOSPWTKLM-IMEMCKAMSA-N 1 0 668.835 6.077 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556321 562032177 /nfs/dbraw/zinc/03/21/77/562032177.db2.gz SPFGPGBVMIWKQQ-PMERELPUSA-N 1 0 582.744 5.488 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556398 562032197 /nfs/dbraw/zinc/03/21/97/562032197.db2.gz MMLGLMNYHUOLBO-SSEXGKCCSA-N 1 0 550.677 5.188 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCN(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000029562658 562033566 /nfs/dbraw/zinc/03/35/66/562033566.db2.gz NUJYKVDVUYYGQC-UHFFFAOYSA-N 1 0 547.722 6.802 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029562963 562033640 /nfs/dbraw/zinc/03/36/40/562033640.db2.gz YLNVCIXBNIKTSY-HKBQPEDESA-N 1 0 596.746 5.701 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029563231 562033679 /nfs/dbraw/zinc/03/36/79/562033679.db2.gz DOSDFMYCNVKQJK-UHFFFAOYSA-N 1 0 500.690 7.183 1 0 KKAFRO Cc1oc2c(c1C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)c(C)c(O)c(C)c2C ZINC000029566156 562034423 /nfs/dbraw/zinc/03/44/23/562034423.db2.gz STSBQJOWYHTJEK-IVZMSFFOSA-N 1 0 506.624 5.739 1 0 KKAFRO CN(c1nc2ccccc2n1Cc1ccc(Br)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029566411 562034510 /nfs/dbraw/zinc/03/45/10/562034510.db2.gz XKUGGSUSSNOZJG-UHFFFAOYSA-N 1 0 503.488 5.990 1 0 KKAFRO CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)n1 ZINC000029567123 562034678 /nfs/dbraw/zinc/03/46/78/562034678.db2.gz RDVWHSCDZBZWKT-LJAQVGFWSA-N 1 0 564.777 5.994 1 0 KKAFRO CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000029568972 562035079 /nfs/dbraw/zinc/03/50/79/562035079.db2.gz YQYPMWNVIHIRGQ-INTNPECTSA-N 1 0 604.876 7.255 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000029569476 562035330 /nfs/dbraw/zinc/03/53/30/562035330.db2.gz YZPXOMNTFQTKSD-HKBQPEDESA-N 1 0 595.750 6.020 1 0 KKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503567 562037419 /nfs/dbraw/zinc/03/74/19/562037419.db2.gz RNPPRRQXTVGBHF-PVTPYKNESA-N 1 0 501.671 5.270 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4cccc5ccccc54)C3)cc2s1)C1CCCC1 ZINC000033816964 562037543 /nfs/dbraw/zinc/03/75/43/562037543.db2.gz XYBZBEPAAOPJBU-VWNXMTODSA-N 1 0 526.706 6.865 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037606 /nfs/dbraw/zinc/03/76/06/562037606.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 1 0 504.650 5.012 1 0 KKAFRO CCCC[NH2+]C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000033848715 562037678 /nfs/dbraw/zinc/03/76/78/562037678.db2.gz FLVVNUOVRIIWEN-FQCFFEASSA-N 1 0 508.506 7.380 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034289877 562038704 /nfs/dbraw/zinc/03/87/04/562038704.db2.gz ZIBHRYATKGTOLV-UHFFFAOYSA-N 1 0 523.620 5.983 1 0 KKAFRO CCC(=O)N[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)[NH2+]C1 ZINC000034326550 562038719 /nfs/dbraw/zinc/03/87/19/562038719.db2.gz OVKFQKXVHAJHEJ-XORNHQRDSA-N 1 0 502.499 5.976 1 0 KKAFRO CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633585 562039410 /nfs/dbraw/zinc/03/94/10/562039410.db2.gz XUOCXIUMLLARLH-MUUNZHRXSA-N 1 0 622.709 7.712 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000034689168 562039659 /nfs/dbraw/zinc/03/96/59/562039659.db2.gz VMQFABUDELJKAB-UZAFBBDWSA-N 1 0 531.656 5.410 1 0 KKAFRO CC(C)(C)CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034717872 562040009 /nfs/dbraw/zinc/04/00/09/562040009.db2.gz QGUNYNMPFKIKBH-LHEWISCISA-N 1 0 754.953 11.696 1 0 KKAFRO O=S(=O)(CCCC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)o1)c1ccccc1 ZINC000034800089 562040797 /nfs/dbraw/zinc/04/07/97/562040797.db2.gz SOFMGJHORUKREC-UHFFFAOYSA-N 1 0 653.204 8.210 1 0 KKAFRO CC(C)OC(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000034802081 562041609 /nfs/dbraw/zinc/04/16/09/562041609.db2.gz OJZXEEOXMMGEHD-UHFFFAOYSA-N 1 0 544.761 6.443 1 0 KKAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC000034802114 562041721 /nfs/dbraw/zinc/04/17/21/562041721.db2.gz XWZQPFIZAGITHQ-IZNNDHRXSA-N 1 0 730.872 5.410 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NC(=O)c3ccnc(OC)c3)cc2)cc1 ZINC000034802889 562042228 /nfs/dbraw/zinc/04/22/28/562042228.db2.gz MFIWYRHXSPAMFD-UHFFFAOYSA-N 1 0 586.821 7.620 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(Nc3ccccc3)cc2)cc1 ZINC000034802846 562042241 /nfs/dbraw/zinc/04/22/41/562042241.db2.gz AJZIUDQKEBRORX-UHFFFAOYSA-N 1 0 527.797 8.708 1 0 KKAFRO Cn1cccc1CC(C)(C)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803879 562042791 /nfs/dbraw/zinc/04/27/91/562042791.db2.gz NHDYXZJYFQTNSS-QXNWPYRLSA-N 1 0 533.676 5.822 1 0 KKAFRO CC(=O)N1CCC[C@@H]([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804310 562043069 /nfs/dbraw/zinc/04/30/69/562043069.db2.gz JKIMXRFLUDBYCX-LEAFIULHSA-N 1 0 621.666 6.666 1 0 KKAFRO COC(=O)N[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804341 562043136 /nfs/dbraw/zinc/04/31/36/562043136.db2.gz MAVBWNPZMIJLIT-QHCPKHFHSA-N 1 0 569.546 5.516 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(C[NH+]3CCC(O)CC3)cnc21 ZINC000034892325 562044040 /nfs/dbraw/zinc/04/40/40/562044040.db2.gz DOSLTOINSAMWEA-UHFFFAOYSA-N 1 0 517.054 5.332 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Sc3ccc(C(=O)N(C)C)cc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000036126773 562047621 /nfs/dbraw/zinc/04/76/21/562047621.db2.gz GUDZXWWOCDUMPH-UHFFFAOYSA-N 1 0 601.132 5.980 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000036140649 562048021 /nfs/dbraw/zinc/04/80/21/562048021.db2.gz XLNGIGRIGVQMIN-IDWATVSYSA-N 1 0 531.656 5.405 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000036140640 562048028 /nfs/dbraw/zinc/04/80/28/562048028.db2.gz LDQMDDWSQPMVAZ-IPQUOWEQSA-N 1 0 533.628 5.607 1 0 KKAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCC(C)(C)CC5)C4)C3)s2)c(C)c1 ZINC000036151880 562048340 /nfs/dbraw/zinc/04/83/40/562048340.db2.gz GTJMVVDMODCGIU-RPWUZVMVSA-N 1 0 552.785 5.631 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000036161436 562048690 /nfs/dbraw/zinc/04/86/90/562048690.db2.gz KQKJCANUMAILPB-JYFHCDHNSA-N 1 0 532.150 5.355 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175708 562049002 /nfs/dbraw/zinc/04/90/02/562049002.db2.gz QCYVROJYAWUOQW-HXUWFJFHSA-N 1 0 535.056 6.439 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ncn2)cc1 ZINC000036187635 562050715 /nfs/dbraw/zinc/05/07/15/562050715.db2.gz NPBPPTPGWGVYGV-UHFFFAOYSA-N 1 0 635.691 7.189 1 0 KKAFRO c1ccc(CNc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1 ZINC000036241949 562052114 /nfs/dbraw/zinc/05/21/14/562052114.db2.gz VJPQSHDXMIHCLK-UHFFFAOYSA-N 1 0 505.670 6.173 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285762 562054473 /nfs/dbraw/zinc/05/44/73/562054473.db2.gz CKYBCMOIKHZIMK-SBUREZEXSA-N 1 0 530.462 6.586 1 0 KKAFRO COc1cc(OC)c(OC)cc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285888 562054495 /nfs/dbraw/zinc/05/44/95/562054495.db2.gz LXNDVQBLBLFJSL-QFIPXVFZSA-N 1 0 537.623 5.059 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2Cl)CC1 ZINC000036285848 562054499 /nfs/dbraw/zinc/05/44/99/562054499.db2.gz RNBXTYRRDCHFDP-IBGZPJMESA-N 1 0 518.407 5.786 1 0 KKAFRO Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285929 562054550 /nfs/dbraw/zinc/05/45/50/562054550.db2.gz XXXMEESVGWHJSN-DVECYGJZSA-N 1 0 510.044 6.241 1 0 KKAFRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294661 562054784 /nfs/dbraw/zinc/05/47/84/562054784.db2.gz MUAQEKVYFBHQJO-FQEVSTJZSA-N 1 0 526.855 5.899 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322395 562055243 /nfs/dbraw/zinc/05/52/43/562055243.db2.gz FPXIRXAXVYUYRD-PKTZIBPZSA-N 1 0 537.491 6.242 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322408 562055266 /nfs/dbraw/zinc/05/52/66/562055266.db2.gz BCMOURGLNMDTBL-RPBOFIJWSA-N 1 0 565.545 7.022 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2[C@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324022 562055307 /nfs/dbraw/zinc/05/53/07/562055307.db2.gz KJQHHFWZKACGAF-JCYYIGJDSA-N 1 0 533.556 7.730 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCCC5)c4)C[C@H]23)CC1 ZINC000036351558 562058568 /nfs/dbraw/zinc/05/85/68/562058568.db2.gz MWHZSDYFOZVOAE-XOPMNVLASA-N 1 0 554.154 5.671 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCCC(F)(F)F)C2)C1 ZINC000036351563 562058639 /nfs/dbraw/zinc/05/86/39/562058639.db2.gz GYTGIZQSOKNOHV-RPWUZVMVSA-N 1 0 570.578 5.645 1 0 KKAFRO COc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351638 562058863 /nfs/dbraw/zinc/05/88/63/562058863.db2.gz HAMYAGGBQVFQLR-UUWRZZSWSA-N 1 0 592.611 7.862 1 0 KKAFRO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000036352003 562059516 /nfs/dbraw/zinc/05/95/16/562059516.db2.gz WCKZXUZPEYGEII-NHCUHLMSSA-N 1 0 525.524 6.209 1 0 KKAFRO COc1ccc([C@H]2C=CC[N@H+](CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388578 562060313 /nfs/dbraw/zinc/06/03/13/562060313.db2.gz PMFCRKQEBIMFMP-CZNDPXEESA-N 1 0 526.696 6.968 1 0 KKAFRO COc1ccc([C@@H]2C=CC[N@H+](CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388574 562060372 /nfs/dbraw/zinc/06/03/72/562060372.db2.gz PMFCRKQEBIMFMP-JHOUSYSJSA-N 1 0 526.696 6.968 1 0 KKAFRO C[NH2+]CC(=O)Nc1c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2oc1C(=O)C(C)(C)C ZINC000036414773 562060546 /nfs/dbraw/zinc/06/05/46/562060546.db2.gz REQGHDPBBUSDDM-UHFFFAOYSA-N 1 0 510.421 6.855 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCC[NH+]3CCCCC3)ncc2c1 ZINC000036758594 562061444 /nfs/dbraw/zinc/06/14/44/562061444.db2.gz NSOPDMYYXBLFIE-UHFFFAOYSA-N 1 0 547.625 7.083 1 0 KKAFRO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)O[C@@H]3N(C)CC2 ZINC000038139373 562062552 /nfs/dbraw/zinc/06/25/52/562062552.db2.gz ZFVQCIZYTMRXPL-CYFIQEHSSA-N 1 0 596.680 6.350 1 0 in-vitro KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(NS(=O)(=O)CC[NH+]4CCCC4)c3)nnc2c1 ZINC000037858300 562061903 /nfs/dbraw/zinc/06/19/03/562061903.db2.gz RALCWZCHKNFZSA-UHFFFAOYSA-N 1 0 516.671 5.198 1 0 KKAFRO CCN1c2ccccc2S/C1=C/C=c1\s/c(=C/c2sc3ccccc3[n+]2CC)n(-c2ccccc2)c1=O ZINC000038146318 562065200 /nfs/dbraw/zinc/06/52/00/562065200.db2.gz YZFNLTSQBUXCJN-WCOOBMQKSA-N 1 0 540.759 5.504 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156572 562068421 /nfs/dbraw/zinc/06/84/21/562068421.db2.gz AQKXSWOKSKKJQI-UHFFFAOYSA-N 1 0 549.518 5.691 1 0 KKAFRO CC(C)CC[N@@H+]1[C@@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150643 562066463 /nfs/dbraw/zinc/06/64/63/562066463.db2.gz KQBOOGKXOGILHG-RNCAPKPVSA-N 1 0 536.713 5.564 1 0 KKAFRO O=C([O-])[C@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154925 562067978 /nfs/dbraw/zinc/06/79/78/562067978.db2.gz BYTINRYNDVFJIV-NHKHRBQYSA-N 1 0 529.750 5.882 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccc(F)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157906 562069830 /nfs/dbraw/zinc/06/98/30/562069830.db2.gz REFUSBFXTDLFNM-UHFFFAOYSA-N 1 0 524.055 6.747 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157908 562069869 /nfs/dbraw/zinc/06/98/69/562069869.db2.gz JYXIOKSALYJMSX-UHFFFAOYSA-N 1 0 574.062 7.627 1 0 KKAFRO Brc1c2nc(NCCC[NH+]3CCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143391828 562834966 /nfs/dbraw/zinc/83/49/66/562834966.db2.gz LICSJZIDNQOVFO-UHFFFAOYSA-N 1 0 559.926 5.511 1 0 KKAFRO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000040413384 562075453 /nfs/dbraw/zinc/07/54/53/562075453.db2.gz GQGBHYPHRMQFHE-MGMSZRMWSA-N 1 0 517.028 6.911 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000040430759 562076883 /nfs/dbraw/zinc/07/68/83/562076883.db2.gz XPNTZDKIYNVUSU-LFAGZIFBSA-N 1 0 528.537 6.649 1 0 KKAFRO CN(C)C(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504958 562077634 /nfs/dbraw/zinc/07/76/34/562077634.db2.gz PVCXTBKJFJWAJP-UHFFFAOYSA-N 1 0 508.609 5.084 1 0 KKAFRO O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCC[NH+]2CCCCC2)c1 ZINC000040567240 562078122 /nfs/dbraw/zinc/07/81/22/562078122.db2.gz OEQCBZMNIVNUIK-GOSISDBHSA-N 1 0 517.375 6.277 1 0 KKAFRO CCOC(=O)c1cccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040639751 562078659 /nfs/dbraw/zinc/07/86/59/562078659.db2.gz DTNAMCITZPAGAG-UHFFFAOYSA-N 1 0 509.593 5.559 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791358 562079811 /nfs/dbraw/zinc/07/98/11/562079811.db2.gz YTOSPVJBQKTTEV-QFIPXVFZSA-N 1 0 509.593 5.593 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000040828214 562079982 /nfs/dbraw/zinc/07/99/82/562079982.db2.gz WGNAXVWSCNZJNU-QFIPXVFZSA-N 1 0 501.515 5.547 1 0 KKAFRO CC[NH+]1CCN(CC(=O)Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)CC1 ZINC000040863824 562081091 /nfs/dbraw/zinc/08/10/91/562081091.db2.gz JRAFQVRRYHRBSS-UHFFFAOYSA-N 1 0 515.445 5.070 1 0 KKAFRO CCN(C(=O)Oc1ccc(Cl)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865899 562081309 /nfs/dbraw/zinc/08/13/09/562081309.db2.gz TUKDLWNHHAZMOP-ZBLYBZFDSA-N 1 0 512.094 6.061 1 0 KKAFRO CCN(C(=O)Oc1ccc(Cl)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865897 562081346 /nfs/dbraw/zinc/08/13/46/562081346.db2.gz TUKDLWNHHAZMOP-IDISGSTGSA-N 1 0 512.094 6.061 1 0 KKAFRO CS(=O)(=O)c1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040892618 562082924 /nfs/dbraw/zinc/08/29/24/562082924.db2.gz RCFINIDYFAQFJK-UHFFFAOYSA-N 1 0 507.627 5.445 1 0 KKAFRO COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H]([NH2+]Cc2ccccn2)C3)c1 ZINC000040898069 562083130 /nfs/dbraw/zinc/08/31/30/562083130.db2.gz FZGJOQIUVBVNBJ-RUZDIDTESA-N 1 0 517.551 6.285 1 0 KKAFRO Clc1ccc2c(c1)nccc2NCC[NH+](CCC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2 ZINC000040896544 562083159 /nfs/dbraw/zinc/08/31/59/562083159.db2.gz HTEIRCBSYMXEQY-UHFFFAOYSA-N 1 0 546.243 8.815 1 0 KKAFRO COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N@@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950061 562085879 /nfs/dbraw/zinc/08/58/79/562085879.db2.gz RWSZLMVCERHQGM-NYDCQLBNSA-N 1 0 506.646 6.019 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)(c2ccccc2)CC1 ZINC000040956802 562086736 /nfs/dbraw/zinc/08/67/36/562086736.db2.gz RVPAZHRBJKDRHU-UHFFFAOYSA-N 1 0 518.702 5.716 1 0 KKAFRO C[N@@H+](CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040972371 562086938 /nfs/dbraw/zinc/08/69/38/562086938.db2.gz NGLSSHZLKAEWJD-UHFFFAOYSA-N 1 0 507.600 5.879 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042803634 562088327 /nfs/dbraw/zinc/08/83/27/562088327.db2.gz NILBOLZUFRHFHT-FVRFUWMBSA-N 1 0 630.214 5.063 1 0 KKAFRO CC(C)[C@H]1C(=O)Nc2ccc(NCCC[NH+](C)C)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 ZINC000042806644 562089818 /nfs/dbraw/zinc/08/98/18/562089818.db2.gz GCOKGELLQPRJEF-HKBQPEDESA-N 1 0 597.739 5.318 1 0 KKAFRO CCc1nc(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090193 /nfs/dbraw/zinc/09/01/93/562090193.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 1 0 554.779 6.101 1 0 KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(C(C(=O)[C@@H]2CC[C@@H]4CC[C@@H]5C=CC=C[C@]54C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572836 560052005 /nfs/dbraw/zinc/05/20/05/560052005.db2.gz LGOSGXGLGJMYAZ-JTJOSSEFSA-N 1 0 581.753 6.961 1 0 biogenic,in-vitro KKAFRO COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)ccc6[C@@H](C5)N4C)cc32)cc1 ZINC000095486208 560061607 /nfs/dbraw/zinc/06/16/07/560061607.db2.gz DITYVQQGERRPEX-WIHCDAFUSA-N 1 0 578.709 6.466 1 0 biogenic,in-vitro KKAFRO C[NH2+]CC1=C2C=C[C@H]3CC[C@H]([C@@H]2C3)[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595793 560063655 /nfs/dbraw/zinc/06/36/55/560063655.db2.gz UWAKYYBLPMOWGS-NAUNSLIWSA-N 1 0 589.729 5.701 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532386 560072741 /nfs/dbraw/zinc/07/27/41/560072741.db2.gz ACNROMJFOLURHZ-PKKSVOHVSA-N 1 0 563.779 6.772 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532537 560072775 /nfs/dbraw/zinc/07/27/75/560072775.db2.gz CKWYTSCQVYJQKM-JYKSKESFSA-N 1 0 549.752 6.441 1 0 biogenic,in-vitro KKAFRO C[NH2+]C[C@H](CCC/C=C\CCC1CCCCC1)[C@H](CC[NH3+])[C@H](CCc1ccccc1)[C@H](C(=O)[O-])[C@H](C)O ZINC000085505705 560074715 /nfs/dbraw/zinc/07/47/15/560074715.db2.gz YHSIEYGDZINADI-SATWHVHPSA-N 1 0 514.795 6.205 1 0 biogenic,in-vitro KKAFRO O=C(Nc1ccc(Cl)cc1CO)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043024500 562645038 /nfs/dbraw/zinc/64/50/38/562645038.db2.gz UUVJAPHKXSSWSL-UHFFFAOYSA-N 1 0 506.956 5.428 1 0 KKAFRO O=C(N[C@H](Cn1cccn1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043060020 562645142 /nfs/dbraw/zinc/64/51/42/562645142.db2.gz TZAVEMGJPFYKKA-HHHXNRCGSA-N 1 0 536.602 5.398 1 0 KKAFRO O=C(N[C@@H](Cn1cccn1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043060022 562645179 /nfs/dbraw/zinc/64/51/79/562645179.db2.gz TZAVEMGJPFYKKA-MHZLTWQESA-N 1 0 536.602 5.398 1 0 KKAFRO Cc1nccn1C[C@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070415 562645524 /nfs/dbraw/zinc/64/55/24/562645524.db2.gz DSZJLBHBEBATRS-LJAQVGFWSA-N 1 0 549.641 6.161 1 0 KKAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1 ZINC000043129663 562646282 /nfs/dbraw/zinc/64/62/82/562646282.db2.gz KXYWDZHSCSOAGU-NDEPHWFRSA-N 1 0 579.693 6.746 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(NC5CC[NH+](C)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000043152533 562646374 /nfs/dbraw/zinc/64/63/74/562646374.db2.gz VPGSHWKKZVAVBK-LJQANCHMSA-N 1 0 587.149 6.547 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3F)CC2)c1 ZINC000043201386 562646917 /nfs/dbraw/zinc/64/69/17/562646917.db2.gz SKOOMZXKVTZFED-UHFFFAOYSA-N 1 0 505.037 6.724 1 0 KKAFRO COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043967619 562651334 /nfs/dbraw/zinc/65/13/34/562651334.db2.gz FXOJKPLALHHTKM-YTTGMZPUSA-N 1 0 555.744 6.555 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccc4ccccc4c3)cc2)n1 ZINC000044052611 562651850 /nfs/dbraw/zinc/65/18/50/562651850.db2.gz LHBQMECVQHKBKF-HKBQPEDESA-N 1 0 592.696 6.042 1 0 KKAFRO CCCC[C@H]1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281666 562653185 /nfs/dbraw/zinc/65/31/85/562653185.db2.gz KRUJQWXOSLKLBD-NDEPHWFRSA-N 1 0 616.842 5.186 1 0 KKAFRO Cc1cc(C)c2c(n[nH]c2OCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n1 ZINC000044350726 562654350 /nfs/dbraw/zinc/65/43/50/562654350.db2.gz UIUZIKMYVPKHET-UHFFFAOYSA-N 1 0 593.093 8.350 1 0 KKAFRO CCCC[NH+](CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044360418 562655588 /nfs/dbraw/zinc/65/55/88/562655588.db2.gz JGDYMCMQFALNLD-JSOSNVBQSA-N 1 0 576.653 7.235 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH2+]C(C)C)cc2)CC3)cc1 ZINC000044360577 562655607 /nfs/dbraw/zinc/65/56/07/562655607.db2.gz UYARATGFXGJSJJ-UHFFFAOYSA-N 1 0 534.582 6.268 1 0 KKAFRO COC(=O)c1ccc(-c2cc(C(=O)Nc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)ccc2NCCNC(N)=[NH2+])cc1 ZINC000044361052 562655659 /nfs/dbraw/zinc/65/56/59/562655659.db2.gz QLMAPVXYQDEPRF-UHFFFAOYSA-N 1 0 626.761 6.494 1 0 KKAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000044406250 562656820 /nfs/dbraw/zinc/65/68/20/562656820.db2.gz FISNMOAZOFAUNZ-PIKZIKFNSA-N 1 0 547.571 5.286 1 0 KKAFRO CC(C)(C)OC(=O)n1cc(C2CC[NH+](CCC[C@@]34CCCc5cccc(c53)NC4=O)CC2)c2ccncc21 ZINC000045167629 562658023 /nfs/dbraw/zinc/65/80/23/562658023.db2.gz CYSQEQXYRAKQCD-HKBQPEDESA-N 1 0 514.670 6.006 1 0 KKAFRO C[N@H+]([C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)C1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000045167722 562658070 /nfs/dbraw/zinc/65/80/70/562658070.db2.gz FQOWQNGUWRKVAS-FEDKPBDFSA-N 1 0 543.752 6.473 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000045168106 562658096 /nfs/dbraw/zinc/65/80/96/562658096.db2.gz INKHMVJDCHPEIJ-WEVVVXLNSA-N 1 0 524.439 5.466 1 0 KKAFRO Cc1ccc(Cn2cnc(N3C[C@H](C)[NH2+][C@@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168815 562658136 /nfs/dbraw/zinc/65/81/36/562658136.db2.gz GZARTMHTCAZNIG-GOTSBHOMSA-N 1 0 522.653 5.098 1 0 KKAFRO COc1cc(Br)c(NC(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CC[N@H+](C)C3)c2)cc1OC ZINC000045192757 562658627 /nfs/dbraw/zinc/65/86/27/562658627.db2.gz XMWKMYOIZQTDML-CYBMUJFWSA-N 1 0 518.330 5.212 1 0 KKAFRO O=C(Nc1ccc(Cn2nc(Cl)c(N3CCC[NH2+]CC3)cc2=O)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000045169059 562658197 /nfs/dbraw/zinc/65/81/97/562658197.db2.gz MAYDUJGQZUPUOJ-UHFFFAOYSA-N 1 0 529.044 5.056 1 0 KKAFRO Cc1ccc(/C=C/C(=O)NCCCCC[N@@H+]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045186789 562658203 /nfs/dbraw/zinc/65/82/03/562658203.db2.gz JILZHXGMAZCRAB-JLHYYAGUSA-N 1 0 517.501 5.841 1 0 KKAFRO COc1ccccc1/C=C/C(=O)NC1CCC(CC[N@@H+]2CCc3ccc(-c4cc(C)no4)cc3CC2)CC1 ZINC000045186990 562658206 /nfs/dbraw/zinc/65/82/06/562658206.db2.gz QIMQAIPCJIWCGL-SDNWHVSQSA-N 1 0 513.682 5.838 1 0 KKAFRO COc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045169038 562658210 /nfs/dbraw/zinc/65/82/10/562658210.db2.gz CZOAGPCGMWQIML-WUXMJOGZSA-N 1 0 533.500 5.588 1 0 KKAFRO COc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000045186911 562658220 /nfs/dbraw/zinc/65/82/20/562658220.db2.gz PZZXCELLGRNGTN-UHFFFAOYSA-N 1 0 524.636 6.823 1 0 KKAFRO Nc1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000045189766 562658444 /nfs/dbraw/zinc/65/84/44/562658444.db2.gz BSTXWLWHVCACKB-QHHAFSJGSA-N 1 0 512.485 5.583 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4cccc(Cl)c4)CC2)CC3)on1 ZINC000045190952 562658506 /nfs/dbraw/zinc/65/85/06/562658506.db2.gz PFOPIGXHJNWHBZ-KPKJPENVSA-N 1 0 518.101 6.483 1 0 KKAFRO CCCCC[N@@H+]1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191191 562658552 /nfs/dbraw/zinc/65/85/52/562658552.db2.gz JXHFQTBGHGKBPZ-JOCHJYFZSA-N 1 0 511.610 5.281 1 0 KKAFRO C[C@@H](c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045191458 562658573 /nfs/dbraw/zinc/65/85/73/562658573.db2.gz KSWHTBGJBMZWPM-FQEVSTJZSA-N 1 0 509.638 5.195 1 0 KKAFRO Cc1cccc(NC(=S)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000045193822 562658759 /nfs/dbraw/zinc/65/87/59/562658759.db2.gz LUWVLEVYDYFCCT-PKNBQFBNSA-N 1 0 533.569 6.053 1 0 KKAFRO CCCCCCNC(=O)c1nn(CCN2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000045195881 562658909 /nfs/dbraw/zinc/65/89/09/562658909.db2.gz JKQGAPGIPVBPJX-UHFFFAOYSA-N 1 0 520.549 5.727 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000045195621 562658939 /nfs/dbraw/zinc/65/89/39/562658939.db2.gz NCZBICWIBABTLE-WEVVVXLNSA-N 1 0 524.439 5.466 1 0 KKAFRO CCOc1cc(C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045195672 562658942 /nfs/dbraw/zinc/65/89/42/562658942.db2.gz KUHCPUWKDDVONV-UHFFFAOYSA-N 1 0 509.094 6.304 1 0 KKAFRO Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202225 562659110 /nfs/dbraw/zinc/65/91/10/562659110.db2.gz SVNBCXOGKMCLJS-YIEPXFBBSA-N 1 0 531.528 6.114 1 0 KKAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045202543 562659147 /nfs/dbraw/zinc/65/91/47/562659147.db2.gz ZZNGNCRZRDCPFY-GDLZYMKVSA-N 1 0 531.722 5.881 1 0 KKAFRO O=C(Nc1ccccc1)c1nn(CCCN2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000045202494 562659175 /nfs/dbraw/zinc/65/91/75/562659175.db2.gz VSRHIQIUEDARDV-UHFFFAOYSA-N 1 0 526.512 6.060 1 0 KKAFRO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227658 562659434 /nfs/dbraw/zinc/65/94/34/562659434.db2.gz ZOXQYQOWAXKIKN-IBGZPJMESA-N 1 0 521.587 5.738 1 0 KKAFRO O=S(=O)(Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045228309 562659461 /nfs/dbraw/zinc/65/94/61/562659461.db2.gz VITISJVAGJJRJO-UHFFFAOYSA-N 1 0 503.712 5.647 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)Nc3ccc(CC)cc3)cs2)cc1 ZINC000045229789 562659553 /nfs/dbraw/zinc/65/95/53/562659553.db2.gz UMIXIKSQNNUFLO-UHFFFAOYSA-N 1 0 530.742 6.583 1 0 KKAFRO Cc1cccc2[nH]c(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)nc21 ZINC000045230389 562659602 /nfs/dbraw/zinc/65/96/02/562659602.db2.gz YHFYLXKAGLAXDG-SOFGYWHQSA-N 1 0 511.497 6.310 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)CC1 ZINC000045231310 562659710 /nfs/dbraw/zinc/65/97/10/562659710.db2.gz WKWDZEMKMCCHGD-XYOKQWHBSA-N 1 0 510.509 7.043 1 0 KKAFRO CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045289822 562660298 /nfs/dbraw/zinc/66/02/98/562660298.db2.gz SDWUHFKDVMJUGL-KMYXTYCYSA-N 1 0 504.681 7.193 1 0 KKAFRO CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045289825 562660307 /nfs/dbraw/zinc/66/03/07/562660307.db2.gz SDWUHFKDVMJUGL-ZQWKZUOPSA-N 1 0 504.681 7.193 1 0 KKAFRO O=C(NC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301833 562660520 /nfs/dbraw/zinc/66/05/20/562660520.db2.gz FORAXJIIDUEKDC-GOSISDBHSA-N 1 0 502.558 5.457 1 0 KKAFRO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322590 562661110 /nfs/dbraw/zinc/66/11/10/562661110.db2.gz QFNWXBCCKJYIFU-IBGZPJMESA-N 1 0 521.587 5.738 1 0 KKAFRO Cc1cccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c21 ZINC000045324142 562661165 /nfs/dbraw/zinc/66/11/65/562661165.db2.gz MTWGBRCLMHEPNJ-SOFGYWHQSA-N 1 0 524.536 7.305 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC000045334712 562661252 /nfs/dbraw/zinc/66/12/52/562661252.db2.gz LVVGNQLUDXBSDY-PMIBNCJYSA-N 1 0 512.481 6.232 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045335063 562661333 /nfs/dbraw/zinc/66/13/33/562661333.db2.gz UNVIGTWXEAABJG-ZEQRLZLVSA-N 1 0 531.528 5.978 1 0 KKAFRO CC(C)[N@H+](C)[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045340275 562661622 /nfs/dbraw/zinc/66/16/22/562661622.db2.gz INOOWBQEHMZJJL-OSPHWJPCSA-N 1 0 518.054 5.117 1 0 KKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1 ZINC000045355224 562661850 /nfs/dbraw/zinc/66/18/50/562661850.db2.gz AWUWWSPJQVWBIM-HHHXNRCGSA-N 1 0 519.035 7.150 1 0 KKAFRO COc1cc(C[N@H+](CC[C@H](c2ccccc2)c2c(O)ccc3ccccc32)Cc2ccccc2)cc(OC)c1 ZINC000045375292 562662319 /nfs/dbraw/zinc/66/23/19/562662319.db2.gz IQRGAPUWPNBRDH-MGBGTMOVSA-N 1 0 517.669 7.787 1 0 KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCC1 ZINC000045495842 562662664 /nfs/dbraw/zinc/66/26/64/562662664.db2.gz XCWSAVXACRBMPF-FYYLOGMGSA-N 1 0 512.663 5.622 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CC[NH+]1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000048307283 562662878 /nfs/dbraw/zinc/66/28/78/562662878.db2.gz BNDFNXDZQSZTHZ-UHFFFAOYSA-N 1 0 673.726 7.875 1 0 KKAFRO O=C(NC[C@@H](CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000048307320 562662915 /nfs/dbraw/zinc/66/29/15/562662915.db2.gz BDYNCVUPHHOGKO-HSZRJFAPSA-N 1 0 535.519 7.650 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCCCc2cccc(F)c2F)c(=O)c2ccccc21 ZINC000048307303 562662972 /nfs/dbraw/zinc/66/29/72/562662972.db2.gz QFNOFKVRVOVZCQ-UHFFFAOYSA-N 1 0 703.796 8.902 1 0 KKAFRO Cc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000048307402 562663081 /nfs/dbraw/zinc/66/30/81/562663081.db2.gz ALXPAFFHLSMPLQ-UHFFFAOYSA-N 1 0 543.071 5.364 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)c1 ZINC000048308884 562663152 /nfs/dbraw/zinc/66/31/52/562663152.db2.gz QILAURCHCDTSIZ-UHFFFAOYSA-N 1 0 597.137 6.608 1 0 KKAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998251 562663166 /nfs/dbraw/zinc/66/31/66/562663166.db2.gz BBKNZDXWDHCIOQ-MHZLTWQESA-N 1 0 539.761 5.428 1 0 KKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCSCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049036736 562663629 /nfs/dbraw/zinc/66/36/29/562663629.db2.gz PYORKCIXTGLRQL-LJAQVGFWSA-N 1 0 503.620 5.352 1 0 KKAFRO O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC000049069098 562664071 /nfs/dbraw/zinc/66/40/71/562664071.db2.gz LZBKXBZDNHTOOM-UHFFFAOYSA-N 1 0 529.681 5.289 1 0 KKAFRO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCCC5)c4)cc32)cc1 ZINC000049109392 562664522 /nfs/dbraw/zinc/66/45/22/562664522.db2.gz VTKXOUFYFLRSDX-UHFFFAOYSA-N 1 0 533.680 6.518 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccc(F)cc2)s1)C1CCCCC1 ZINC000049115563 562664758 /nfs/dbraw/zinc/66/47/58/562664758.db2.gz ZAVJGZJOAOWWTO-WYRQLCSISA-N 1 0 522.690 5.439 1 0 KKAFRO C[C@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000049604933 562665090 /nfs/dbraw/zinc/66/50/90/562665090.db2.gz NFJXSNIIKZKBGJ-SFTDATJTSA-N 1 0 543.071 5.443 1 0 KKAFRO Cc1c(CC(=O)N(C)C2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)sc2ccc(Cl)cc12 ZINC000049604949 562665112 /nfs/dbraw/zinc/66/51/12/562665112.db2.gz LWHLGKHMXYINED-YRNVUSSQSA-N 1 0 621.074 7.635 1 0 KKAFRO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604961 562665116 /nfs/dbraw/zinc/66/51/16/562665116.db2.gz NXZZWVSDLWWOMB-SFTDATJTSA-N 1 0 553.481 5.948 1 0 KKAFRO COCCN(CC(=O)NCc1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000049604950 562665130 /nfs/dbraw/zinc/66/51/30/562665130.db2.gz UJXRRWDRNSBCHX-UHFFFAOYSA-N 1 0 641.834 5.315 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000049605081 562665357 /nfs/dbraw/zinc/66/53/57/562665357.db2.gz NSBQENQQQQIUNL-CYWZBKSPSA-N 1 0 547.914 6.000 1 0 KKAFRO O=c1cc(NCCCN[C@@H](C[NH2+]CCc2ccccc2)c2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605107 562665368 /nfs/dbraw/zinc/66/53/68/562665368.db2.gz PCSDQIHDKNLAEG-SANMLTNESA-N 1 0 598.383 6.018 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049605119 562665392 /nfs/dbraw/zinc/66/53/92/562665392.db2.gz QSYAHUSMOYZIHX-UHFFFAOYSA-N 1 0 688.741 7.659 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[C@H]([NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC[C@@H]2C1 ZINC000049605155 562665461 /nfs/dbraw/zinc/66/54/61/562665461.db2.gz QBRFRPNTDXAEOT-KZKYPOFHSA-N 1 0 536.547 7.385 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3cc(-c4ccc(Cl)cc4)sc3C)CC2)ccc2c1CCCC2 ZINC000049605180 562665468 /nfs/dbraw/zinc/66/54/68/562665468.db2.gz MPZVCABHIVHIFT-UHFFFAOYSA-N 1 0 551.196 7.654 1 0 KKAFRO CC(C)Cn1cc(C2CC[NH+](CCN3CCC(CNC(=O)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)CC3)CC2)c2ccccc21 ZINC000049605220 562665508 /nfs/dbraw/zinc/66/55/08/562665508.db2.gz OSKBRBFMIBIHHI-UHFFFAOYSA-N 1 0 688.744 8.178 1 0 KKAFRO CC[C@@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605363 562665722 /nfs/dbraw/zinc/66/57/22/562665722.db2.gz LGRMYYUELOYAIG-JZTSUELASA-N 1 0 676.848 5.445 1 0 KKAFRO CC(C)(C)c1cc(/C=C/C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc(C(C)(C)C)c1O ZINC000049605421 562665829 /nfs/dbraw/zinc/66/58/29/562665829.db2.gz IMCNIHAKFKZZKM-DTQAZKPQSA-N 1 0 569.834 8.036 1 0 KKAFRO COc1ccc(Cn2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3nc2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049605439 562665878 /nfs/dbraw/zinc/66/58/78/562665878.db2.gz MANIAWQRPJQPAL-UHFFFAOYSA-N 1 0 572.031 6.335 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCCCC[NH+]3CCCC3)nc21 ZINC000049605433 562665881 /nfs/dbraw/zinc/66/58/81/562665881.db2.gz ZLVOTHZTCUBWHZ-UHFFFAOYSA-N 1 0 570.595 6.120 1 0 KKAFRO C[NH+]1CCC(NC(=O)c2cc(Oc3ccc4c(c3)CCN4C(=O)Nc3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC000049605452 562665934 /nfs/dbraw/zinc/66/59/34/562665934.db2.gz PXUOQXKNDQVCAZ-UHFFFAOYSA-N 1 0 539.558 5.311 1 0 KKAFRO O=C(Cc1ccccc1)N[C@@H](CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049605478 562665982 /nfs/dbraw/zinc/66/59/82/562665982.db2.gz LYKHJUMUTTZIMQ-PMERELPUSA-N 1 0 668.609 7.120 1 0 KKAFRO COc1ccc(-c2ccccc2)cc1NC(=S)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049605519 562665992 /nfs/dbraw/zinc/66/59/92/562665992.db2.gz ZCMSDMXXTKBUDU-UHFFFAOYSA-N 1 0 552.788 7.568 1 0 KKAFRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 ZINC000049605528 562666011 /nfs/dbraw/zinc/66/60/11/562666011.db2.gz OFPRHWNZKLPEJG-UHFFFAOYSA-N 1 0 560.888 6.271 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605546 562666037 /nfs/dbraw/zinc/66/60/37/562666037.db2.gz IGQADVDYHVHMJQ-NHCUHLMSSA-N 1 0 619.943 7.342 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)ccc(F)c1F ZINC000049605613 562666091 /nfs/dbraw/zinc/66/60/91/562666091.db2.gz PWLGDLXIDVHFPY-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2cc3c(ncnc3Nc3ccc4c(cnn4Cc4ccccc4)c3)s2)c1 ZINC000049605605 562666101 /nfs/dbraw/zinc/66/61/01/562666101.db2.gz OYPWKPUGLVOGRZ-UHFFFAOYSA-N 1 0 568.728 5.634 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049605592 562666112 /nfs/dbraw/zinc/66/61/12/562666112.db2.gz RIFCSFHNGLZPOL-JGCGQSQUSA-N 1 0 571.589 6.641 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CCO[C@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049605692 562666186 /nfs/dbraw/zinc/66/61/86/562666186.db2.gz MFSAONLAIVFRNU-YTTGMZPUSA-N 1 0 583.556 6.648 1 0 KKAFRO NC(=O)c1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049605731 562666285 /nfs/dbraw/zinc/66/62/85/562666285.db2.gz HLUKEUMFNPRECN-ONNFQVAWSA-N 1 0 553.534 6.141 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c(F)c2)CC1 ZINC000049605716 562666325 /nfs/dbraw/zinc/66/63/25/562666325.db2.gz XJOIRUKYLBUXQY-UHFFFAOYSA-N 1 0 570.496 5.935 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCc1nccn1C ZINC000049614007 562666509 /nfs/dbraw/zinc/66/65/09/562666509.db2.gz NHDNEVGGJHEALZ-UHFFFAOYSA-N 1 0 628.217 6.911 1 0 KKAFRO O=C(NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614460 562666562 /nfs/dbraw/zinc/66/65/62/562666562.db2.gz SYACMZGTAWHUQF-UHFFFAOYSA-N 1 0 667.681 9.753 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049614911 562666606 /nfs/dbraw/zinc/66/66/06/562666606.db2.gz GLBUKRYFJCLYRW-UHFFFAOYSA-N 1 0 709.762 10.923 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCCCN3CC[NH+](C)CC3)nc21 ZINC000049625812 562666904 /nfs/dbraw/zinc/66/69/04/562666904.db2.gz PWRJTRCMIRREJU-UHFFFAOYSA-N 1 0 603.600 5.021 1 0 KKAFRO CC(=O)c1ccc(-c2ccc(C(=O)NCCCC[NH+]3CCC(c4ccc5c(c4OCC(N)=O)CCCC5)CC3)cc2)s1 ZINC000049626011 562666918 /nfs/dbraw/zinc/66/69/18/562666918.db2.gz ZFSWYSSJGXFHCY-UHFFFAOYSA-N 1 0 587.786 5.750 1 0 KKAFRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000049626068 562666984 /nfs/dbraw/zinc/66/69/84/562666984.db2.gz WJLVFZDQXPPRFH-UHFFFAOYSA-N 1 0 542.898 6.132 1 0 KKAFRO CCCCCC(=O)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626204 562667047 /nfs/dbraw/zinc/66/70/47/562667047.db2.gz WJKJBIOASCRBMR-QHCPKHFHSA-N 1 0 592.376 5.883 1 0 KKAFRO CCCCCC(=O)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626207 562667055 /nfs/dbraw/zinc/66/70/55/562667055.db2.gz WJKJBIOASCRBMR-HSZRJFAPSA-N 1 0 592.376 5.883 1 0 KKAFRO CN(CC[C@@H](CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049626183 562667061 /nfs/dbraw/zinc/66/70/61/562667061.db2.gz XOGVRRITKKIKKR-DEOSSOPVSA-N 1 0 563.573 8.382 1 0 KKAFRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000049626425 562667159 /nfs/dbraw/zinc/66/71/59/562667159.db2.gz YDPXQHJSXNJKLP-UHFFFAOYSA-N 1 0 704.255 6.993 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626344 562667190 /nfs/dbraw/zinc/66/71/90/562667190.db2.gz ICTDNSCIVSSZQH-HSZRJFAPSA-N 1 0 590.568 6.632 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)cc(F)c1 ZINC000049626906 562667359 /nfs/dbraw/zinc/66/73/59/562667359.db2.gz HGVRYDLMWQLDDU-UHFFFAOYSA-N 1 0 676.730 7.516 1 0 KKAFRO Cc1ccc(NC(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1I ZINC000049626924 562667454 /nfs/dbraw/zinc/66/74/54/562667454.db2.gz UIFJBJQDNGHNAS-UHFFFAOYSA-N 1 0 544.481 6.252 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000049626962 562667455 /nfs/dbraw/zinc/66/74/55/562667455.db2.gz PMBJWUZQJIXPBK-NRFANRHFSA-N 1 0 537.648 5.528 1 0 KKAFRO COc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CC2)ccc1OC(C)C ZINC000049639107 562667619 /nfs/dbraw/zinc/66/76/19/562667619.db2.gz XFGJCHHSMPHNOO-UHFFFAOYSA-N 1 0 612.598 7.431 1 0 KKAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(Cl)s2)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049694459 562669365 /nfs/dbraw/zinc/66/93/65/562669365.db2.gz IDDBPMNXNXZKPM-UFHPHHKVSA-N 1 0 723.317 6.398 1 0 KKAFRO Cc1ccc(C(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049695072 562670114 /nfs/dbraw/zinc/67/01/14/562670114.db2.gz VGTHCHXFYHAGIH-XPSQVAKYSA-N 1 0 622.850 6.172 1 0 KKAFRO O=S(=O)(CCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049709207 562671244 /nfs/dbraw/zinc/67/12/44/562671244.db2.gz OJJXSTUFZUNQQP-VWLOTQADSA-N 1 0 608.251 5.276 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@@H](NC(=O)NCc3ccccc3Cl)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049710021 562671504 /nfs/dbraw/zinc/67/15/04/562671504.db2.gz XGGIQPIDJMSEAH-HHHXNRCGSA-N 1 0 636.045 6.391 1 0 KKAFRO O=C(Cc1c2ccccc2[nH]c1-c1ccccc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049710587 562671736 /nfs/dbraw/zinc/67/17/36/562671736.db2.gz LSEAPXFJHJHQKH-UHFFFAOYSA-N 1 0 544.743 7.413 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[N@@H+]3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710532 562671740 /nfs/dbraw/zinc/67/17/40/562671740.db2.gz NNCRUKJWFHRUPQ-CMVGPNDKSA-N 1 0 642.580 5.880 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@](CC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710882 562671851 /nfs/dbraw/zinc/67/18/51/562671851.db2.gz RYUJSNLXMAGIJD-YTTGMZPUSA-N 1 0 632.554 8.142 1 0 KKAFRO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722557 562672188 /nfs/dbraw/zinc/67/21/88/562672188.db2.gz ZTGKKBRUYNYCNY-OTWHNJEPSA-N 1 0 572.364 6.586 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OCC[NH+](C)C)cc21 ZINC000049722586 562672208 /nfs/dbraw/zinc/67/22/08/562672208.db2.gz OTBBBQPSSDIEBL-UHFFFAOYSA-N 1 0 677.714 7.350 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCC1=O ZINC000049722912 562672719 /nfs/dbraw/zinc/67/27/19/562672719.db2.gz QUTJAEIUCNMDGD-MFMCTBQISA-N 1 0 560.783 5.754 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049723016 562672797 /nfs/dbraw/zinc/67/27/97/562672797.db2.gz NOLSGGMBMXDMOJ-UHFFFAOYSA-N 1 0 626.041 8.020 1 0 KKAFRO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CC[NH+]1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049723153 562672993 /nfs/dbraw/zinc/67/29/93/562672993.db2.gz BNMGVJMJNYCPRI-UHFFFAOYSA-N 1 0 705.793 8.773 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000049723189 562673047 /nfs/dbraw/zinc/67/30/47/562673047.db2.gz LKZPTSTVIYXXMC-KGKWYIGFSA-N 1 0 720.708 7.686 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3nn(C)cc3c(=O)cc2CCc2cccc(F)c2F)CC1 ZINC000049723196 562673049 /nfs/dbraw/zinc/67/30/49/562673049.db2.gz DTTTXKODSFAHSD-UHFFFAOYSA-N 1 0 705.772 7.386 1 0 KKAFRO CN(C(=O)Cc1ccc(Cl)cc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049723223 562673106 /nfs/dbraw/zinc/67/31/06/562673106.db2.gz ZFBUZWCYVQRPLZ-XYOKQWHBSA-N 1 0 550.958 6.112 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000049723250 562673111 /nfs/dbraw/zinc/67/31/11/562673111.db2.gz FVZZSPLLVOIBDV-UHFFFAOYSA-N 1 0 539.642 6.864 1 0 KKAFRO CC(C)(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3cccnc32)CC1 ZINC000049723232 562673117 /nfs/dbraw/zinc/67/31/17/562673117.db2.gz FJUJMSDLWRKETC-UHFFFAOYSA-N 1 0 717.783 7.832 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCO)CCCC3)CC1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000049723257 562673177 /nfs/dbraw/zinc/67/31/77/562673177.db2.gz OMPLTVLCUCQYHK-UHFFFAOYSA-N 1 0 634.739 7.758 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745251 562673764 /nfs/dbraw/zinc/67/37/64/562673764.db2.gz GUNSFAQQGCFKPF-KSEOMHKRSA-N 1 0 539.454 5.558 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745832 562674102 /nfs/dbraw/zinc/67/41/02/562674102.db2.gz WSQWFQGNZPVTQC-UHFFFAOYSA-N 1 0 592.810 5.258 1 0 KKAFRO COc1cc(C(C)C)ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049746023 562674189 /nfs/dbraw/zinc/67/41/89/562674189.db2.gz OUZRSZYTDNNXGW-UHFFFAOYSA-N 1 0 563.142 6.057 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000049756132 562674852 /nfs/dbraw/zinc/67/48/52/562674852.db2.gz COLKEZLWMLVCIQ-VZUCSPMQSA-N 1 0 604.604 5.809 1 0 KKAFRO CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2 ZINC000049756998 562675365 /nfs/dbraw/zinc/67/53/65/562675365.db2.gz YTELHZGITUPWIN-OIDHKYIRSA-N 1 0 662.897 5.551 1 0 KKAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc2ccccc2s1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049757379 562675931 /nfs/dbraw/zinc/67/59/31/562675931.db2.gz FDKCMKCKCOAXOX-HQGUKNTCSA-N 1 0 591.818 5.413 1 0 KKAFRO CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000049757458 562676025 /nfs/dbraw/zinc/67/60/25/562676025.db2.gz KSNMHXKYNFKFLZ-PDHQKIGBSA-N 1 0 547.695 7.526 1 0 KKAFRO COc1ccc(C(=O)Nc2ccccc2NC(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1OC ZINC000049762133 562676362 /nfs/dbraw/zinc/67/63/62/562676362.db2.gz CRHUEJTVQJBKIR-UHFFFAOYSA-N 1 0 610.711 6.218 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767193 562677426 /nfs/dbraw/zinc/67/74/26/562677426.db2.gz NOBRZARFPUZXNK-FQEVSTJZSA-N 1 0 558.901 5.353 1 0 KKAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC1)CC2 ZINC000049771248 562678051 /nfs/dbraw/zinc/67/80/51/562678051.db2.gz PBBNAVGXBQDIMO-VWLOTQADSA-N 1 0 623.761 5.627 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774717 562678711 /nfs/dbraw/zinc/67/87/11/562678711.db2.gz ZWQKRBYKXNRWIE-HKBQPEDESA-N 1 0 623.867 5.973 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CC[NH+](C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777022 562679533 /nfs/dbraw/zinc/67/95/33/562679533.db2.gz DYMVIXFRKNHUJQ-LJAQVGFWSA-N 1 0 602.845 5.167 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 ZINC000049777052 562679596 /nfs/dbraw/zinc/67/95/96/562679596.db2.gz ZXRIWIVIXXWDGK-DHUJRADRSA-N 1 0 610.843 5.434 1 0 KKAFRO S=C(NCCC[NH2+]CCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049777269 562679844 /nfs/dbraw/zinc/67/98/44/562679844.db2.gz XENHWMIQVTYOKK-UHFFFAOYSA-N 1 0 637.963 6.729 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)C=C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049777543 562680135 /nfs/dbraw/zinc/68/01/35/562680135.db2.gz DCUWSELYVNIKSP-QURGRASLSA-N 1 0 629.794 7.216 1 0 KKAFRO S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777635 562680317 /nfs/dbraw/zinc/68/03/17/562680317.db2.gz NOGQVMFPQFEQBQ-GTKRZRNESA-N 1 0 680.044 6.958 1 0 KKAFRO C[NH+](C)CCNc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000049777629 562680335 /nfs/dbraw/zinc/68/03/35/562680335.db2.gz SOMNTMFCUYIBSJ-UHFFFAOYSA-N 1 0 545.569 5.703 1 0 KKAFRO Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCCN4CC[NH+](C)CC4)ncn3)c2)c1 ZINC000049777798 562680574 /nfs/dbraw/zinc/68/05/74/562680574.db2.gz QXIYOGPRUCDNIQ-UHFFFAOYSA-N 1 0 589.748 5.478 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)C[NH2+]CC3)cc2)c(Cl)c1 ZINC000049777945 562680724 /nfs/dbraw/zinc/68/07/24/562680724.db2.gz FMTLMIDADBADOY-UHFFFAOYSA-N 1 0 620.404 8.005 1 0 KKAFRO C[NH2+]C[C@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049781191 562682747 /nfs/dbraw/zinc/68/27/47/562682747.db2.gz AUJWASLBKNLABL-QFIPXVFZSA-N 1 0 595.945 7.506 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCOc4ccccc4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049783996 562683347 /nfs/dbraw/zinc/68/33/47/562683347.db2.gz ASWYNSWNNBNCSM-UHFFFAOYSA-N 1 0 705.869 5.535 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4ccc(F)c5cc(C(F)(F)F)cnc54)CC3)CC2)c1 ZINC000049784574 562683659 /nfs/dbraw/zinc/68/36/59/562683659.db2.gz OSRWFGCIJIRBCM-UHFFFAOYSA-N 1 0 539.577 5.741 1 0 KKAFRO O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049793165 562684581 /nfs/dbraw/zinc/68/45/81/562684581.db2.gz PSECKKKRGJVJNM-UHFFFAOYSA-N 1 0 525.537 6.208 1 0 KKAFRO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(CC2CC[NH+](C)CC2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793275 562684677 /nfs/dbraw/zinc/68/46/77/562684677.db2.gz CRCUNMKTEAUDDB-OAQYLSRUSA-N 1 0 625.667 5.811 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000049793288 562684690 /nfs/dbraw/zinc/68/46/90/562684690.db2.gz UDSHPTQPAIYZKQ-WYRQLCSISA-N 1 0 539.145 5.953 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC(CCO)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793301 562684714 /nfs/dbraw/zinc/68/47/14/562684714.db2.gz PKQKGYRSRSCTSK-LJAQVGFWSA-N 1 0 575.819 5.854 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC(C)(C)[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049793355 562684746 /nfs/dbraw/zinc/68/47/46/562684746.db2.gz FMQBTPGTROTRJJ-UICHKGEESA-N 1 0 607.739 5.024 1 0 KKAFRO Oc1ccc(C[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049793821 562685207 /nfs/dbraw/zinc/68/52/07/562685207.db2.gz NQZPXVDZVBQIMG-UHFFFAOYSA-N 1 0 557.494 7.434 1 0 KKAFRO O=C(NCc1cc(Cl)cc(Cl)c1)N(c1ccc(Br)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000049793883 562685277 /nfs/dbraw/zinc/68/52/77/562685277.db2.gz JGRNPFVRYKMKOL-UHFFFAOYSA-N 1 0 525.318 6.879 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5ccc(F)cc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793915 562685288 /nfs/dbraw/zinc/68/52/88/562685288.db2.gz GMLUTFLFJNJTRU-XIFFEERXSA-N 1 0 640.869 6.717 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802149 562685483 /nfs/dbraw/zinc/68/54/83/562685483.db2.gz GFOLTSIILMYURY-PMERELPUSA-N 1 0 628.908 6.639 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCSc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2 ZINC000049802673 562685898 /nfs/dbraw/zinc/68/58/98/562685898.db2.gz YQUIPEQWEOEKRO-UHFFFAOYSA-N 1 0 536.673 7.192 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCOc1ccc(Br)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000049803093 562686017 /nfs/dbraw/zinc/68/60/17/562686017.db2.gz XSYYQOISAKERBC-UHFFFAOYSA-N 1 0 549.441 6.088 1 0 in-vivo KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823241 562687114 /nfs/dbraw/zinc/68/71/14/562687114.db2.gz DSMOGQVECWIDRP-UHFFFAOYSA-N 1 0 667.295 5.276 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccc4ccccc4c3)Cc3ccc4ccccc4c3)cc2)cc1-c1ccccc1 ZINC000049832892 562687285 /nfs/dbraw/zinc/68/72/85/562687285.db2.gz LKOYIVKBBBEBSU-UHFFFAOYSA-N 1 0 668.845 9.014 1 0 KKAFRO C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C[C@H](C)O1 ZINC000049833268 562687654 /nfs/dbraw/zinc/68/76/54/562687654.db2.gz ZOAZOJRIZYTSSL-WMPKNSHKSA-N 1 0 637.792 6.532 1 0 KKAFRO OCC[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[n-]6)CC5)cc4)nc3n2)CC1 ZINC000049833531 562687851 /nfs/dbraw/zinc/68/78/51/562687851.db2.gz SQYAUXNWQOZSIY-UHFFFAOYSA-N 1 0 652.807 5.033 1 0 KKAFRO NC(=O)CN(CCc1ccc(-c2ccccc2)cc1)C(=O)CN(C(=O)C[NH2+]CCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000049841371 562688293 /nfs/dbraw/zinc/68/82/93/562688293.db2.gz AYDOOTJBEFYAOE-UHFFFAOYSA-N 1 0 640.784 5.448 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1 ZINC000049852132 562688821 /nfs/dbraw/zinc/68/88/21/562688821.db2.gz LWXQUUGCNQEZMB-UHFFFAOYSA-N 1 0 644.823 8.375 1 0 KKAFRO CC(C)(C)OC(=O)NCCCCC[NH+]=C1Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000049867730 562689608 /nfs/dbraw/zinc/68/96/08/562689608.db2.gz VEEAJIJNOVSTTJ-LJAQVGFWSA-N 1 0 555.723 6.227 1 0 KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCCCC1 ZINC000049878531 562690678 /nfs/dbraw/zinc/69/06/78/562690678.db2.gz CFNBMDAXVAJPSE-ILBGXUMGSA-N 1 0 540.717 6.402 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)CCC[NH+](C)C)ncn2)s1 ZINC000049889037 562691735 /nfs/dbraw/zinc/69/17/35/562691735.db2.gz OKOWXDOWGLCCIR-UHFFFAOYSA-N 1 0 558.586 5.803 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC ZINC000049889364 562692027 /nfs/dbraw/zinc/69/20/27/562692027.db2.gz QXJNTMSGRQZRFO-XWHIBYANSA-N 1 0 649.754 7.822 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049889362 562692040 /nfs/dbraw/zinc/69/20/40/562692040.db2.gz QXJNTMSGRQZRFO-DCMFLLSESA-N 1 0 649.754 7.822 1 0 KKAFRO CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(Cc2ccccn2)Cc2ccccn2)CC1 ZINC000049898327 562692450 /nfs/dbraw/zinc/69/24/50/562692450.db2.gz SYIIDEMHZYNMGV-VLZNPVHKSA-N 1 0 645.679 6.792 1 0 KKAFRO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000049899406 562693082 /nfs/dbraw/zinc/69/30/82/562693082.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 1 0 698.813 6.466 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049899456 562693130 /nfs/dbraw/zinc/69/31/30/562693130.db2.gz LQKSXPXJHUCHMO-XZWHSSHBSA-N 1 0 646.776 5.294 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000049908057 562693399 /nfs/dbraw/zinc/69/33/99/562693399.db2.gz IVTSPVALHUFRQE-WEVVVXLNSA-N 1 0 547.483 5.308 1 0 KKAFRO C[N@@H+]1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000049908051 562693414 /nfs/dbraw/zinc/69/34/14/562693414.db2.gz OQOYDQAKBGFPGJ-UHFFFAOYSA-N 1 0 568.183 6.093 1 0 KKAFRO CC[N@@H+]1CC[C@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908034 562693441 /nfs/dbraw/zinc/69/34/41/562693441.db2.gz BETUISKNIITDDN-YTTGMZPUSA-N 1 0 673.726 7.874 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917612 562693620 /nfs/dbraw/zinc/69/36/20/562693620.db2.gz HOZWLRIMHVJKNF-UFYCRDLUSA-N 1 0 605.916 6.952 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049917579 562693659 /nfs/dbraw/zinc/69/36/59/562693659.db2.gz KEASQMZNUZSVDB-UXBLZVDNSA-N 1 0 539.454 5.811 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917615 562693687 /nfs/dbraw/zinc/69/36/87/562693687.db2.gz HOZWLRIMHVJKNF-XUVXKRRUSA-N 1 0 605.916 6.952 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917880 562694080 /nfs/dbraw/zinc/69/40/80/562694080.db2.gz DYYLJIKLFBCHTO-VWXIVLILSA-N 1 0 709.891 6.752 1 0 KKAFRO COc1ccc(C(=O)NCCCC[NH+]2CCC(c3ccc4c(c3OC)CCCC4)CC2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000049917881 562694091 /nfs/dbraw/zinc/69/40/91/562694091.db2.gz RNFMOUHPCDKZIX-UHFFFAOYSA-N 1 0 594.718 7.658 1 0 KKAFRO CCN(CC)c1ccc(NC(=S)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049917942 562694200 /nfs/dbraw/zinc/69/42/00/562694200.db2.gz CSKKRYWQLBYQOY-OQLLNIDSSA-N 1 0 590.665 6.590 1 0 KKAFRO C[N@H+](Cc1ccc(NC(=O)CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1)C1CCOCC1 ZINC000049917975 562694279 /nfs/dbraw/zinc/69/42/79/562694279.db2.gz APUCDZNKETVGSG-IZZDOVSWSA-N 1 0 558.550 6.275 1 0 KKAFRO O=C(NC1CCN(CC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049918004 562694327 /nfs/dbraw/zinc/69/43/27/562694327.db2.gz CKTSZVHITRSKEP-UHFFFAOYSA-N 1 0 570.099 7.100 1 0 KKAFRO O=C(Nc1ccccc1)N[C@H]1CC[N@@H+](CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918034 562694345 /nfs/dbraw/zinc/69/43/45/562694345.db2.gz MENBXQWQAZNXTG-SETSBSEESA-N 1 0 567.517 5.647 1 0 KKAFRO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(CCOc6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049918043 562694383 /nfs/dbraw/zinc/69/43/83/562694383.db2.gz VKKNXGTWJAHODB-PMERELPUSA-N 1 0 635.828 5.413 1 0 KKAFRO Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5nccc(N6CC[N@@H+]7CCC[C@H]7C6)c5cc43)c3ccccc23)o1 ZINC000049918045 562694402 /nfs/dbraw/zinc/69/44/02/562694402.db2.gz XKPPMUQTJBGRJQ-QHCPKHFHSA-N 1 0 544.659 6.230 1 0 KKAFRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)o1)c1ccccc1 ZINC000049918104 562694427 /nfs/dbraw/zinc/69/44/27/562694427.db2.gz MYPFYAQWYHZGFS-LJAQVGFWSA-N 1 0 563.633 6.824 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)c(F)c2)CC1 ZINC000049918099 562694466 /nfs/dbraw/zinc/69/44/66/562694466.db2.gz CYGQDDBYEKVHJS-UHFFFAOYSA-N 1 0 574.459 5.766 1 0 KKAFRO COc1ccccc1/C=C/C(=O)N(C)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918129 562694518 /nfs/dbraw/zinc/69/45/18/562694518.db2.gz RKLXXGFIBOMYIS-LCPPQYOVSA-N 1 0 558.550 5.938 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049918131 562694525 /nfs/dbraw/zinc/69/45/25/562694525.db2.gz RTENZHIFFHKCCS-XVNBXDOJSA-N 1 0 540.535 7.005 1 0 KKAFRO Cc1ccc(NC(=S)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000049918174 562694544 /nfs/dbraw/zinc/69/45/44/562694544.db2.gz PLJBOZBYVZREMX-JXMROGBWSA-N 1 0 568.014 6.706 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1I ZINC000049918202 562694594 /nfs/dbraw/zinc/69/45/94/562694594.db2.gz OCSKQJRRTGNOAC-UHFFFAOYSA-N 1 0 527.712 5.548 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 ZINC000049918250 562694672 /nfs/dbraw/zinc/69/46/72/562694672.db2.gz WPKQFXOCTRROEM-UHFFFAOYSA-N 1 0 666.686 5.644 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049938217 562695159 /nfs/dbraw/zinc/69/51/59/562695159.db2.gz WZCRTOKSBDFVAS-POURPWNDSA-N 1 0 675.072 7.905 1 0 KKAFRO CC[NH+]1CCN(Cc2cc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)co2)CC1 ZINC000049946888 562695645 /nfs/dbraw/zinc/69/56/45/562695645.db2.gz DATHYHLOJYBUAS-UHFFFAOYSA-N 1 0 574.607 6.065 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5ccc6c(c5)OC(F)(F)O6)ccc4Cl)cn3)cc2)CC1 ZINC000053050595 562696143 /nfs/dbraw/zinc/69/61/43/562696143.db2.gz WNUWKJKIAMXFRA-UHFFFAOYSA-N 1 0 622.032 5.452 1 0 KKAFRO CCCN(c1ncc(C(F)(F)F)cn1)C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000053073864 562696165 /nfs/dbraw/zinc/69/61/65/562696165.db2.gz OGKWLTVICQOPPH-MLKSZZLFSA-N 1 0 591.694 5.674 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053206577 562696494 /nfs/dbraw/zinc/69/64/94/562696494.db2.gz JZLAJYOZJKREKH-UHFFFAOYSA-N 1 0 589.622 5.804 1 0 in-vitro KKAFRO CC1(NC(=O)Cc2ccc(Cl)cc2)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053242886 562696747 /nfs/dbraw/zinc/69/67/47/562696747.db2.gz LUBYGHNAONZOCT-MHZLTWQESA-N 1 0 528.112 5.820 1 0 KKAFRO COc1ccc(OC)c(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)n2)c1 ZINC000053276161 562697068 /nfs/dbraw/zinc/69/70/68/562697068.db2.gz KRTUJRKFKLHMBT-UHFFFAOYSA-N 1 0 568.678 5.943 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000058503336 562698309 /nfs/dbraw/zinc/69/83/09/562698309.db2.gz YCMNXNTUMHDKAF-SXOMAYOGSA-N 1 0 574.791 5.052 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)OCC[NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058533251 562698641 /nfs/dbraw/zinc/69/86/41/562698641.db2.gz IZZPVNBZSGTVFV-ZZOHRRKISA-N 1 0 557.860 7.825 1 0 KKAFRO C[NH+]1CCN(c2cnc3c(Oc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5-c5ccccc5)c(F)c4)ccnc3n2)CC1 ZINC000058534241 562698662 /nfs/dbraw/zinc/69/86/62/562698662.db2.gz NOVHPHRYEJIURW-UHFFFAOYSA-N 1 0 595.683 5.835 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000058534552 562698676 /nfs/dbraw/zinc/69/86/76/562698676.db2.gz PVVAQUKXSCGSNX-PATLUPQASA-N 1 0 576.625 7.596 1 0 KKAFRO C[C@H](O)[C@H](CC[N@@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058563049 562699348 /nfs/dbraw/zinc/69/93/48/562699348.db2.gz LRBSYXWKXPQNJU-HNEROVGYSA-N 1 0 554.575 6.034 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[N@@H+]3CC[C@H]4c5ccccc5C[C@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000058593445 562700716 /nfs/dbraw/zinc/70/07/16/562700716.db2.gz UZTAOZVXKCECDZ-OYRZRQNVSA-N 1 0 611.566 6.191 1 0 KKAFRO Cc1c(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cccc1N(c1ccccc1)S(C)(=O)=O ZINC000058598720 562700751 /nfs/dbraw/zinc/70/07/51/562700751.db2.gz XYPSUEPECMURMW-IGYGKHONSA-N 1 0 625.713 5.603 1 0 KKAFRO CC[NH+](CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058602955 562700915 /nfs/dbraw/zinc/70/09/15/562700915.db2.gz OEZLEJYVRYOVFC-UHFFFAOYSA-N 1 0 537.535 7.170 1 0 KKAFRO CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000058655449 562701375 /nfs/dbraw/zinc/70/13/75/562701375.db2.gz OCHDDAGWDCOFQM-JHOUSYSJSA-N 1 0 694.776 5.422 1 0 KKAFRO Cn1c2ccc(Cl)cc2n(C2CC[NH+](CCCn3ccnc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058660620 562701437 /nfs/dbraw/zinc/70/14/37/562701437.db2.gz MNEPYBOQUOAGHK-UHFFFAOYSA-N 1 0 663.581 5.667 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000058672917 562701518 /nfs/dbraw/zinc/70/15/18/562701518.db2.gz QSVIUQSRMGIJPZ-YQPGIBNTSA-N 1 0 528.784 5.049 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3C)cc2)c(Cl)c1 ZINC000059030784 562701594 /nfs/dbraw/zinc/70/15/94/562701594.db2.gz KWDBESFIGVTMJF-DEOSSOPVSA-N 1 0 554.945 8.673 1 0 KKAFRO COCCCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031003 562701587 /nfs/dbraw/zinc/70/15/87/562701587.db2.gz FYTLUEKLGKTLOF-LJAQVGFWSA-N 1 0 592.607 8.599 1 0 KKAFRO COc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@H](C)CCCC(C)C)c(OC)c1 ZINC000059033317 562701612 /nfs/dbraw/zinc/70/16/12/562701612.db2.gz PMJQQUGWVIORDG-XMMPIXPASA-N 1 0 580.766 7.079 1 0 KKAFRO O=C(CCC[NH2+]Cc1c(Cl)cccc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059126069 562701712 /nfs/dbraw/zinc/70/17/12/562701712.db2.gz SXZPHXWUKCRLIY-MUUNZHRXSA-N 1 0 530.927 6.450 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(O[C@H]4CCC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259520 562701956 /nfs/dbraw/zinc/70/19/56/562701956.db2.gz HLHNFPFYQRRGPP-MSOLQXFVSA-N 1 0 525.074 5.842 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1OC(C)C ZINC000059375778 562702017 /nfs/dbraw/zinc/70/20/17/562702017.db2.gz LCUIJLFLRNXHCD-PMERELPUSA-N 1 0 555.679 5.455 1 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059807919 562702390 /nfs/dbraw/zinc/70/23/90/562702390.db2.gz DBBZAQRWWGKFDO-ALQBRSPBSA-N 1 0 578.600 8.808 3 0 KKAFRO C[NH+](C)[C@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000060325704 562702651 /nfs/dbraw/zinc/70/26/51/562702651.db2.gz OHLIBZZIOZMXIN-HNNXBMFYSA-N 1 0 501.368 5.079 1 0 KKAFRO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895479 562702873 /nfs/dbraw/zinc/70/28/73/562702873.db2.gz VLVPEVZFRKIYSM-UMSFTDKQSA-N 1 0 527.668 7.145 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000061898503 562702901 /nfs/dbraw/zinc/70/29/01/562702901.db2.gz BGFKMUVOKQEJAS-GDLZYMKVSA-N 1 0 501.577 5.510 3 0 KKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)cn1 ZINC000061897982 562702910 /nfs/dbraw/zinc/70/29/10/562702910.db2.gz LLLNQQOQHKAYHT-YTTGMZPUSA-N 1 0 521.661 6.309 3 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)cc(OC)c1 ZINC000061895997 562702941 /nfs/dbraw/zinc/70/29/41/562702941.db2.gz GNNAJSXRDKRKNV-WJOKGBTCSA-N 1 0 522.649 5.279 3 0 KKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1 ZINC000061906944 562703064 /nfs/dbraw/zinc/70/30/64/562703064.db2.gz IRICOWBXTOLKEW-VWLOTQADSA-N 1 0 519.494 6.060 3 0 KKAFRO O=C(OCc1cn([C@@H]2C[N@@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923782 562703542 /nfs/dbraw/zinc/70/35/42/562703542.db2.gz CXQUFXAIHBRRMW-ZONZVBGPSA-N 1 0 509.050 5.218 3 0 KKAFRO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061925941 562703585 /nfs/dbraw/zinc/70/35/85/562703585.db2.gz XJWCDQUOSZJQRM-LJAQVGFWSA-N 1 0 500.042 5.885 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061926666 562703614 /nfs/dbraw/zinc/70/36/14/562703614.db2.gz YUSFAECYGXYGSW-MUUNZHRXSA-N 1 0 521.558 6.511 3 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn54)n3)cc2)CC1 ZINC000063298056 562704459 /nfs/dbraw/zinc/70/44/59/562704459.db2.gz CPVBDWFSIXDJER-UHFFFAOYSA-N 1 0 612.713 6.735 1 0 KKAFRO Cc1cccc(NC(=O)Nc2ccc(-c3csc4c3c(N)ncc4-c3ccc(NC(=O)CCC[NH+](C)C)cc3)cc2)c1 ZINC000063539834 562704484 /nfs/dbraw/zinc/70/44/84/562704484.db2.gz LMPULUSZDODHFQ-UHFFFAOYSA-N 1 0 578.742 7.445 1 0 KKAFRO Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CC[NH+](CCSc4ccccc4)CC3)n1-2 ZINC000064235518 562704592 /nfs/dbraw/zinc/70/45/92/562704592.db2.gz IGKAUDJHJBPFMD-UHFFFAOYSA-N 1 0 549.531 5.839 3 0 KKAFRO COc1cc(/C=C\C(=O)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc(OC)c1 ZINC000064245698 562704602 /nfs/dbraw/zinc/70/46/02/562704602.db2.gz ZPEGMIXVYXUVBS-FPLPWBNLSA-N 1 0 501.671 5.707 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447411 562705382 /nfs/dbraw/zinc/70/53/82/562705382.db2.gz ULFBVDCNWCBUQT-KVHIKELMSA-N 1 0 606.774 7.470 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448350 562705510 /nfs/dbraw/zinc/70/55/10/562705510.db2.gz BQNPHGJXMWFRFI-LIZUUOPFSA-N 1 0 592.747 7.162 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453591 562705634 /nfs/dbraw/zinc/70/56/34/562705634.db2.gz GWZWYWRLKFPZBS-PTEVRWOPSA-N 1 0 515.661 6.112 1 0 KKAFRO Clc1ccc([C@@H](c2ccccc2)N2CCC[N@H+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491758 562705947 /nfs/dbraw/zinc/70/59/47/562705947.db2.gz RTXSHWCVMKPGAX-SSEXGKCCSA-N 1 0 519.520 7.141 1 0 KKAFRO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064510754 562706181 /nfs/dbraw/zinc/70/61/81/562706181.db2.gz FYIHUHLFTBIBLG-LJAQVGFWSA-N 1 0 505.493 6.751 1 0 KKAFRO O[C@@H](C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1)COc1cccc(OC(F)(F)F)c1 ZINC000064513551 562706432 /nfs/dbraw/zinc/70/64/32/562706432.db2.gz YCMOYOHTIKWGSW-FQEVSTJZSA-N 1 0 544.599 5.255 1 0 KKAFRO CCCCOc1c(OC)ccc2c1c[n+]1c(c2Cc2ccc(C(C)C)cc2)-c2cc3c(cc2CC1)OCO3 ZINC000064526497 562706616 /nfs/dbraw/zinc/70/66/16/562706616.db2.gz YAJKFRMNAPHXKH-UHFFFAOYSA-N 1 0 510.654 6.981 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1ccccc1 ZINC000064527679 562707045 /nfs/dbraw/zinc/70/70/45/562707045.db2.gz RLWMPJKGERYXEX-UHFFFAOYSA-N 1 0 544.671 7.381 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000064540330 562707744 /nfs/dbraw/zinc/70/77/44/562707744.db2.gz RLDHKTIILVTVIL-RDPSFJRHSA-N 1 0 505.610 5.642 1 0 KKAFRO CC(=O)NCCCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064549034 562707966 /nfs/dbraw/zinc/70/79/66/562707966.db2.gz RBSDEEXLFIWXQU-SSEXGKCCSA-N 1 0 619.633 8.089 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CC[C@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549470 562708048 /nfs/dbraw/zinc/70/80/48/562708048.db2.gz MKRKVCYLRHDJLG-QHCPKHFHSA-N 1 0 502.482 5.003 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCCC1CC[NH+](CCCCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)CC1 ZINC000064622085 562708876 /nfs/dbraw/zinc/70/88/76/562708876.db2.gz UYOYAWQYGOPBCL-SWPSDAPNSA-N 1 0 556.578 6.615 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000064622093 562708880 /nfs/dbraw/zinc/70/88/80/562708880.db2.gz VEYRNVFGHAWMNB-TWGQIWQCSA-N 1 0 565.545 6.087 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066192 562709278 /nfs/dbraw/zinc/70/92/78/562709278.db2.gz AKNNBMGJZOFXCC-YDYNHKSESA-N 1 0 578.584 6.346 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073705 562709491 /nfs/dbraw/zinc/70/94/91/562709491.db2.gz BHFWFRYXVQJKHL-WXGMZPBLSA-N 1 0 632.554 7.056 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074422 562709821 /nfs/dbraw/zinc/70/98/21/562709821.db2.gz JVAFIFLJBRUNJB-HKBQPEDESA-N 1 0 578.761 5.220 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066078461 562710414 /nfs/dbraw/zinc/71/04/14/562710414.db2.gz DHQDDKPFKFTCEM-DICHSLLOSA-N 1 0 582.547 6.176 1 0 KKAFRO O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(Cc1cccc(Cl)c1)C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC000066079775 562710688 /nfs/dbraw/zinc/71/06/88/562710688.db2.gz WCHNWHKOIZEEBZ-RPBOFIJWSA-N 1 0 533.051 5.214 1 0 KKAFRO COc1cc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 ZINC000066098356 562710880 /nfs/dbraw/zinc/71/08/80/562710880.db2.gz HFXOGTRXHXSDKI-NDOVKIIASA-N 1 0 624.609 6.054 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099073 562711068 /nfs/dbraw/zinc/71/10/68/562711068.db2.gz TVOHRYCZUZVYDP-QCDSWUKFSA-N 1 0 570.586 6.099 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000066099951 562711184 /nfs/dbraw/zinc/71/11/84/562711184.db2.gz IYACXQPOWBHIOU-QPPBQGQZSA-N 1 0 535.573 5.336 1 0 KKAFRO C[C@@H](C[NH2+][C@@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100831 562711332 /nfs/dbraw/zinc/71/13/32/562711332.db2.gz JSZDJCIBUSBZII-CGMFQWDHSA-N 1 0 629.805 6.455 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104831 562711767 /nfs/dbraw/zinc/71/17/67/562711767.db2.gz FOMYDJXGULFNEY-FMHSGURNSA-N 1 0 581.639 5.575 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(OC4CC[NH+](C)CC4)cc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066104969 562711825 /nfs/dbraw/zinc/71/18/25/562711825.db2.gz BNJAETMQKIKKSN-GOSISDBHSA-N 1 0 538.570 5.756 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)n1 ZINC000066111644 562711873 /nfs/dbraw/zinc/71/18/73/562711873.db2.gz UOHZJSZZUQBRQX-UHFFFAOYSA-N 1 0 568.129 7.366 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3cc(OC4CC[NH+](C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066112154 562711973 /nfs/dbraw/zinc/71/19/73/562711973.db2.gz FASALJZFFLCNKM-SFHVURJKSA-N 1 0 538.570 5.756 1 0 KKAFRO CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000066112664 562712080 /nfs/dbraw/zinc/71/20/80/562712080.db2.gz FNWMFLJWSOZBPX-UMSFTDKQSA-N 1 0 630.874 5.054 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066113992 562712309 /nfs/dbraw/zinc/71/23/09/562712309.db2.gz WNPHLDLXBWNIPR-GJBCSVNNSA-N 1 0 642.036 6.660 3 0 KKAFRO C[C@H](Oc1cc(-n2cnc3cc(OCCC[NH+](C)C)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114306 562712343 /nfs/dbraw/zinc/71/23/43/562712343.db2.gz OEVZUXKNDLGAKU-SFHVURJKSA-N 1 0 526.559 5.614 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)O3)cc1 ZINC000066139121 562713456 /nfs/dbraw/zinc/71/34/56/562713456.db2.gz HDRLPDDVBLCGRV-UETOGOEVSA-N 1 0 552.716 5.071 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000066139352 562713490 /nfs/dbraw/zinc/71/34/90/562713490.db2.gz MPPRMBLAGUCTKA-GJBCSVNNSA-N 1 0 635.988 5.932 3 0 KKAFRO CC(C)[N@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1 ZINC000066156565 562713804 /nfs/dbraw/zinc/71/38/04/562713804.db2.gz CJFQNIYVIFWKDV-UHFFFAOYSA-N 1 0 541.717 5.473 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066156846 562713850 /nfs/dbraw/zinc/71/38/50/562713850.db2.gz FQJVVVYBFXQNMH-BALWLHIASA-N 1 0 584.544 5.527 3 0 KKAFRO 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 ZINC000066157127 562713884 /nfs/dbraw/zinc/71/38/84/562713884.db2.gz RKFPRZNLXVJUNG-FQWYTPLZSA-N 1 0 627.807 5.815 3 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H]([NH3+])CCC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157530 562713939 /nfs/dbraw/zinc/71/39/39/562713939.db2.gz FKRJWSOOMWTJEG-IRYADYCUSA-N 1 0 629.806 5.002 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066166783 562714129 /nfs/dbraw/zinc/71/41/29/562714129.db2.gz RRPFZSIJHKDDSJ-DICHSLLOSA-N 1 0 599.002 6.691 1 0 KKAFRO C[NH+](C)[C@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066252098 562714681 /nfs/dbraw/zinc/71/46/81/562714681.db2.gz PKILCYFBQFTXGK-IBGZPJMESA-N 1 0 565.566 5.398 1 0 KKAFRO CC[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260104 562715419 /nfs/dbraw/zinc/71/54/19/562715419.db2.gz HGCCDPILHOOZPK-UHFFFAOYSA-N 1 0 565.566 5.400 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(N3CC[NH+](C4CCCC4)CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066262240 562715494 /nfs/dbraw/zinc/71/54/94/562715494.db2.gz AFFXSFAWMDBWFI-UHFFFAOYSA-N 1 0 605.631 6.323 1 0 KKAFRO COc1cc(OCCC[NH+]2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000068153003 562715832 /nfs/dbraw/zinc/71/58/32/562715832.db2.gz RQDNRYSBNFWQCV-UHFFFAOYSA-N 1 0 530.009 5.739 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000068198116 562715882 /nfs/dbraw/zinc/71/58/82/562715882.db2.gz ZIMGMSCOVHYQIN-UHFFFAOYSA-N 1 0 524.673 5.164 1 0 KKAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1 ZINC000068207013 562716024 /nfs/dbraw/zinc/71/60/24/562716024.db2.gz MZSDTUIZKGUVHK-UHFFFAOYSA-N 1 0 529.601 5.149 1 0 in-vitro KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(OC)nc4)CC3)C(C)(C)C2)cc1 ZINC000070631587 562716456 /nfs/dbraw/zinc/71/64/56/562716456.db2.gz ZMLLGYNPXKUHEX-ICTSCBFQSA-N 1 0 555.763 6.553 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631581 562716460 /nfs/dbraw/zinc/71/64/60/562716460.db2.gz RMJYPZJDYDKLTB-CZMKHNCBSA-N 1 0 545.768 5.724 1 0 KKAFRO CCCN(CCC)c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071278718 562716556 /nfs/dbraw/zinc/71/65/56/562716556.db2.gz NQZXBIBDIDNKKQ-UHFFFAOYSA-N 1 0 544.676 5.165 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000071280839 562716609 /nfs/dbraw/zinc/71/66/09/562716609.db2.gz CDTNCXQMEVRILN-BWMKXQIXSA-N 1 0 611.812 5.424 1 0 KKAFRO CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H]([NH2+]Cc4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071282081 562716787 /nfs/dbraw/zinc/71/67/87/562716787.db2.gz WOGFEHLAXZBDOW-MJGOQNOKSA-N 1 0 534.604 5.594 1 0 KKAFRO Cc1nc2cccnc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071295300 562717234 /nfs/dbraw/zinc/71/72/34/562717234.db2.gz DRHNCCCPDIGDNF-BWMKXQIXSA-N 1 0 533.720 6.172 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccncc2)c2ccc(Br)cc2)CC1 ZINC000071296900 562717658 /nfs/dbraw/zinc/71/76/58/562717658.db2.gz AOUQIZRTIMIHNA-WXTAPIANSA-N 1 0 592.365 6.587 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4CCC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297085 562717725 /nfs/dbraw/zinc/71/77/25/562717725.db2.gz DKVWTGMSGYYQCA-DEOSSOPVSA-N 1 0 518.610 5.261 1 0 KKAFRO Cc1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071317024 562718101 /nfs/dbraw/zinc/71/81/01/562718101.db2.gz KIXBJYUJUOHEKG-XHCCPWGMSA-N 1 0 595.493 7.151 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@H](O)C4)cc2)CC3)cc1 ZINC000071317284 562718148 /nfs/dbraw/zinc/71/81/48/562718148.db2.gz BPIUYWHULQJMGZ-DEOSSOPVSA-N 1 0 562.592 5.336 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000071318607 562718543 /nfs/dbraw/zinc/71/85/43/562718543.db2.gz JOTVZXKTHZLLOJ-UHFFFAOYSA-N 1 0 521.492 7.238 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccnc2)c2ccc(Br)cc2)CC1 ZINC000071319297 562718720 /nfs/dbraw/zinc/71/87/20/562718720.db2.gz JEKXFKCNNKNGAU-WXTAPIANSA-N 1 0 592.365 6.587 1 0 KKAFRO Cc1cccnc1O[C@@H](c1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071319242 562718730 /nfs/dbraw/zinc/71/87/30/562718730.db2.gz PCRDJCMCFNPFTE-SIBVEZHUSA-N 1 0 595.493 7.151 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329661 562719002 /nfs/dbraw/zinc/71/90/02/562719002.db2.gz ZPFKKRJCHIOPEY-MYUZEXMDSA-N 1 0 614.923 8.101 1 0 KKAFRO Cc1ccnc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071330086 562719090 /nfs/dbraw/zinc/71/90/90/562719090.db2.gz RUEHTYDIJMMJEX-XHCCPWGMSA-N 1 0 595.493 7.151 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071330888 562719221 /nfs/dbraw/zinc/71/92/21/562719221.db2.gz SBVFNLJIIJHIAV-QKKBWIMNSA-N 1 0 515.279 5.105 1 0 KKAFRO O=C(Cn1c(=O)c2cc(-c3cccc(C[NH+]4CCCCC4)c3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071331974 562719352 /nfs/dbraw/zinc/71/93/52/562719352.db2.gz MJFGNTAUFDUSRQ-UHFFFAOYSA-N 1 0 506.650 5.243 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000071340814 562719833 /nfs/dbraw/zinc/71/98/33/562719833.db2.gz GBQLALWRLHAJHT-HTCWZNLXSA-N 1 0 537.063 6.731 1 0 KKAFRO C[NH+](C)CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071341761 562720051 /nfs/dbraw/zinc/72/00/51/562720051.db2.gz XEFLLSPZIKHPDN-XCZPVHLTSA-N 1 0 621.377 6.709 1 0 KKAFRO CC(C)c1ccc(S(=O)(=O)N2CCC([NH2+][C@H](c3ccc(C(F)(F)F)cc3)c3cnccn3)CC2)cc1 ZINC000072103003 562720351 /nfs/dbraw/zinc/72/03/51/562720351.db2.gz XKGHUAMVEMIZQH-RUZDIDTESA-N 1 0 518.605 5.151 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC2CC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072108984 562721519 /nfs/dbraw/zinc/72/15/19/562721519.db2.gz KOFTZFGNGACTCM-GKRYNVPLSA-N 1 0 626.232 7.093 1 0 KKAFRO CO[C@H]1CCN(C(=O)C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)C1 ZINC000072111080 562721876 /nfs/dbraw/zinc/72/18/76/562721876.db2.gz LVSUWBVBTMLPPY-MIFNPMPNSA-N 1 0 670.285 7.062 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111406 562721901 /nfs/dbraw/zinc/72/19/01/562721901.db2.gz DWBJTGAJCVILKR-RSQQNEHOSA-N 1 0 574.772 6.943 1 0 KKAFRO C[C@@H]1CN(Cc2cccc(SC(F)(F)F)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111474 562721998 /nfs/dbraw/zinc/72/19/98/562721998.db2.gz WOROFGJEFQGPNP-MBGPZUCASA-N 1 0 606.839 7.536 1 0 KKAFRO CNC(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072112673 562722177 /nfs/dbraw/zinc/72/21/77/562722177.db2.gz LHZFPIBNQGHULX-WEWMWRJBSA-N 1 0 600.194 6.560 1 0 KKAFRO CC[NH+](CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072112936 562722220 /nfs/dbraw/zinc/72/22/20/562722220.db2.gz YKLLFVQSYPMPIH-LOYHVIPDSA-N 1 0 568.545 7.202 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](n5cnc6ccccc65)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072113836 562722520 /nfs/dbraw/zinc/72/25/20/562722520.db2.gz BMTPKBPFLORYMD-RXCFDRAVSA-N 1 0 505.747 6.872 1 0 KKAFRO COc1cc2c(cc1OCCF)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000072114021 562722595 /nfs/dbraw/zinc/72/25/95/562722595.db2.gz VEKXZDCJRICAKF-UHFFFAOYSA-N 1 0 678.761 6.714 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CCN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072114810 562722838 /nfs/dbraw/zinc/72/28/38/562722838.db2.gz DKXHFFZMSYMRIM-ROJLCIKYSA-N 1 0 609.598 6.498 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CCN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072114809 562722856 /nfs/dbraw/zinc/72/28/56/562722856.db2.gz DKXHFFZMSYMRIM-ACHIHNKUSA-N 1 0 609.598 6.498 1 0 KKAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[NH2+]CCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc32)c1 ZINC000072115340 562722993 /nfs/dbraw/zinc/72/29/93/562722993.db2.gz FFEBPVDKQMAKNA-RRPNLBNLSA-N 1 0 670.943 7.962 1 0 KKAFRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118153 562723385 /nfs/dbraw/zinc/72/33/85/562723385.db2.gz QIIPFEXSUMEYSF-DEOSSOPVSA-N 1 0 560.542 7.556 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C(=O)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000072118595 562723604 /nfs/dbraw/zinc/72/36/04/562723604.db2.gz YKBXLYRXVGDXIF-VWLOTQADSA-N 1 0 500.668 5.160 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(Cl)cc1Cl ZINC000072118716 562723643 /nfs/dbraw/zinc/72/36/43/562723643.db2.gz VCZNSIOBRPJWNC-JOCHJYFZSA-N 1 0 529.493 5.755 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[C@@H]([N@H+](C)C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072120303 562723995 /nfs/dbraw/zinc/72/39/95/562723995.db2.gz SOYXIWFQNXVTEV-XRBGQJFPSA-N 1 0 680.284 7.054 1 0 KKAFRO O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072122108 562724395 /nfs/dbraw/zinc/72/43/95/562724395.db2.gz CVNUDPVQPWCUGZ-QTKNLHBISA-N 1 0 649.760 7.693 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123634 562724788 /nfs/dbraw/zinc/72/47/88/562724788.db2.gz YUJFTKLYMNNTRQ-UKJJDJLKSA-N 1 0 633.447 7.344 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123636 562724807 /nfs/dbraw/zinc/72/48/07/562724807.db2.gz YUJFTKLYMNNTRQ-ZOYWYXQUSA-N 1 0 633.447 7.344 1 0 KKAFRO O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126804 562725422 /nfs/dbraw/zinc/72/54/22/562725422.db2.gz CVNUDPVQPWCUGZ-MZMVFCBMSA-N 1 0 649.760 7.693 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127671 562725755 /nfs/dbraw/zinc/72/57/55/562725755.db2.gz XLLCULDIIKOUKO-WISKXVKBSA-N 1 0 676.053 6.857 3 0 KKAFRO CCCCNC(=O)[C@H](C1CCCCC1)N(CC[NH+](C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127743 562725896 /nfs/dbraw/zinc/72/58/96/562725896.db2.gz HUJIOOUZBZWSBP-HLFYWILQSA-N 1 0 749.997 7.473 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128768 562726274 /nfs/dbraw/zinc/72/62/74/562726274.db2.gz YKJQWERUMMRZAT-XZTSFBBGSA-N 1 0 642.800 7.503 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128742 562726298 /nfs/dbraw/zinc/72/62/98/562726298.db2.gz XIGFKHPASRIFAO-BBACVFHCSA-N 1 0 664.042 6.626 3 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC[C@@]12CCCN1C(=O)N(CCCC[NH+]1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128772 562726348 /nfs/dbraw/zinc/72/63/48/562726348.db2.gz XULKSGNOZSMMCZ-QLKFWGTOSA-N 1 0 753.026 7.077 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129822 562726417 /nfs/dbraw/zinc/72/64/17/562726417.db2.gz CWZOYVDAZZFHBO-ULJKERAFSA-N 1 0 664.247 6.217 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(CO)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129870 562726515 /nfs/dbraw/zinc/72/65/15/562726515.db2.gz MEXNPODCUIKOLP-BWMKXQIXSA-N 1 0 676.283 5.570 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726546 /nfs/dbraw/zinc/72/65/46/562726546.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 1 0 722.302 7.149 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(OC(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129929 562726610 /nfs/dbraw/zinc/72/66/10/562726610.db2.gz DHRNPOMOQBZXFW-BETPUDKTSA-N 1 0 704.337 6.865 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131706 562726824 /nfs/dbraw/zinc/72/68/24/562726824.db2.gz GDDLZCIDYMGDBW-XRHLQHRESA-N 1 0 648.475 8.467 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131722 562726873 /nfs/dbraw/zinc/72/68/73/562726873.db2.gz DJRCLEMZCMTTDS-XRHLQHRESA-N 1 0 648.475 8.467 1 0 KKAFRO COC(=O)c1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000072132814 562726882 /nfs/dbraw/zinc/72/68/82/562726882.db2.gz MMFIYNUWNAVWBL-HMILPKGGSA-N 1 0 638.514 7.235 1 0 KKAFRO Oc1ccc(C[C@H]2CN([C@@H](Cc3cccc(O)c3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072134869 562727384 /nfs/dbraw/zinc/72/73/84/562727384.db2.gz PURXOUXJLIOVOV-HQPLKVBUSA-N 1 0 712.042 6.369 3 0 KKAFRO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139731 562729034 /nfs/dbraw/zinc/72/90/34/562729034.db2.gz LQPTVZHZAJXDIG-SSEXGKCCSA-N 1 0 561.513 6.447 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072140785 562729172 /nfs/dbraw/zinc/72/91/72/562729172.db2.gz NUIDQNYFRIEMCS-ORYMTKCHSA-N 1 0 585.972 6.030 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146506 562729707 /nfs/dbraw/zinc/72/97/07/562729707.db2.gz DPZGZNAHWBAHEG-OWGSQAEBSA-N 1 0 635.648 9.200 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147613 562729767 /nfs/dbraw/zinc/72/97/67/562729767.db2.gz VRGWNMGTTZRHNU-IZLXSDGUSA-N 1 0 701.598 6.602 1 0 KKAFRO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1 ZINC000072148950 562730009 /nfs/dbraw/zinc/73/00/09/562730009.db2.gz WKHIDHNNVJPHCG-WDYNHAJCSA-N 1 0 697.610 7.069 1 0 KKAFRO Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc([C@H]2O[C@@H](c3ccc(CO)cc3)C[C@@H](CN3CC[NH+](Cc4ccccc4)CC3)O2)c1 ZINC000072170650 562730357 /nfs/dbraw/zinc/73/03/57/562730357.db2.gz AAVPZQDZCOWSTD-IVTHGCCQSA-N 1 0 705.900 6.652 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCC[NH2+]C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171764 562730489 /nfs/dbraw/zinc/73/04/89/562730489.db2.gz AOKNTGGOILWSCK-QHCPKHFHSA-N 1 0 544.604 5.177 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172041 562730599 /nfs/dbraw/zinc/73/05/99/562730599.db2.gz NFNRBWZDIGKKNZ-DEOSSOPVSA-N 1 0 558.631 5.520 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1[S@@]2=O ZINC000072173111 562730756 /nfs/dbraw/zinc/73/07/56/562730756.db2.gz FZXIWDFNEZVGIF-DIPNUNPCSA-N 1 0 517.695 5.092 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)cc3)cc2C(F)(F)F)CC1 ZINC000072177210 562731763 /nfs/dbraw/zinc/73/17/63/562731763.db2.gz HDLRMBIQCXLNSV-UHFFFAOYSA-N 1 0 641.698 7.078 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180646 562732540 /nfs/dbraw/zinc/73/25/40/562732540.db2.gz QKKQTHMHWWMDSY-GOSISDBHSA-N 1 0 557.497 6.617 1 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCOc1cccc2c1CCC[C@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000072181472 562732759 /nfs/dbraw/zinc/73/27/59/562732759.db2.gz KFHFKTDGQUMDJY-XIFFEERXSA-N 1 0 689.023 7.974 1 0 KKAFRO CS(=O)(=O)N(CCC[NH+]1CCCCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072182364 562732862 /nfs/dbraw/zinc/73/28/62/562732862.db2.gz AANVTLVNTUEXNM-UHFFFAOYSA-N 1 0 525.723 5.107 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183320 562732883 /nfs/dbraw/zinc/73/28/83/562732883.db2.gz LVGDISGNKYDSAM-WMZHIEFXSA-N 1 0 539.507 6.478 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000072317167 562733185 /nfs/dbraw/zinc/73/31/85/562733185.db2.gz FVESJAXAINWQOW-UHFFFAOYSA-N 1 0 590.650 5.987 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2cccnc23)cc1 ZINC000072317811 562733197 /nfs/dbraw/zinc/73/31/97/562733197.db2.gz LKCGVBONYVRCLD-JOCHJYFZSA-N 1 0 509.355 6.898 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@@H]3CCC[N@@H+]3C)cn2)c1=O ZINC000072318154 562733268 /nfs/dbraw/zinc/73/32/68/562733268.db2.gz PPLDDAVPZCQAOG-NDEPHWFRSA-N 1 0 613.759 5.732 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000073159753 562733990 /nfs/dbraw/zinc/73/39/90/562733990.db2.gz ODEMNMZLNPEBTF-UHFFFAOYSA-N 1 0 544.885 7.889 1 0 KKAFRO [O-][n+]1ccc2c(-c3ccccc3Cl)cc(OC3CC[NH2+]CC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073161727 562734129 /nfs/dbraw/zinc/73/41/29/562734129.db2.gz RPQRZIVXJZAECO-UHFFFAOYSA-N 1 0 500.813 6.293 1 0 KKAFRO O=C(N[C@H](COCc1ccccc1)C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000073166941 562734536 /nfs/dbraw/zinc/73/45/36/562734536.db2.gz CJULAJSWQHZFAG-JWQCQUIFSA-N 1 0 603.041 5.072 1 0 KKAFRO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073167831 562734646 /nfs/dbraw/zinc/73/46/46/562734646.db2.gz KTGYQSLCEGJTLM-HKBQPEDESA-N 1 0 552.690 5.788 1 0 KKAFRO CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H]1[C@@H](O)C=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000073169016 562734756 /nfs/dbraw/zinc/73/47/56/562734756.db2.gz UKNDGCUGOMNXCX-YVAXRKBESA-N 1 0 597.796 7.777 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073170095 562734909 /nfs/dbraw/zinc/73/49/09/562734909.db2.gz QWXMZVFLKUQTRP-HKBQPEDESA-N 1 0 570.680 5.927 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCC[N@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198748 562735808 /nfs/dbraw/zinc/73/58/08/562735808.db2.gz BGWJXKZYWIIMQN-VXKWHMMOSA-N 1 0 544.614 6.139 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5ccc(Cl)cn5)CC4)[C@@H](c4ccsc4)C3)CC2)cc1 ZINC000073220454 562736258 /nfs/dbraw/zinc/73/62/58/562736258.db2.gz CFKXYDIIHXGQEA-FXVJXKIMSA-N 1 0 551.156 5.685 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000073220814 562736299 /nfs/dbraw/zinc/73/62/99/562736299.db2.gz RKJQKGOUSNJFMJ-UHFFFAOYSA-N 1 0 518.568 6.016 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1 ZINC000073221379 562736320 /nfs/dbraw/zinc/73/63/20/562736320.db2.gz UGWJTMBLTCCLLX-IAYSKZJSSA-N 1 0 535.570 6.598 1 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2coc3ccc(F)cc3c2=O)c1 ZINC000073222251 562736359 /nfs/dbraw/zinc/73/63/59/562736359.db2.gz DWBZPBPIXVLIMT-GDLZYMKVSA-N 1 0 510.609 6.392 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)F ZINC000073223575 562736496 /nfs/dbraw/zinc/73/64/96/562736496.db2.gz CWSAJTLFSLVVTF-DPSWKAHMSA-N 1 0 514.016 5.455 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224881 562736786 /nfs/dbraw/zinc/73/67/86/562736786.db2.gz APRPXBJRNYTSIL-UFLJZRJVSA-N 1 0 543.737 5.585 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCC(=O)NCCc1c[nH]c2ccc(C)cc12)CCc1cc2c(cc1-3)OCO2 ZINC000073259134 562737170 /nfs/dbraw/zinc/73/71/70/562737170.db2.gz FJQPRBQVOYIPIJ-UHFFFAOYSA-O 1 0 550.635 5.005 1 0 KKAFRO CCCOc1cccc2c1C[NH2+][C@@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@@H](C)CC)C1=O)C2 ZINC000082139814 562739236 /nfs/dbraw/zinc/73/92/36/562739236.db2.gz UNHYCLXMUBLSOA-WRCMOOMBSA-N 1 0 718.886 5.011 1 0 KKAFRO C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140058 562739314 /nfs/dbraw/zinc/73/93/14/562739314.db2.gz IQQUNQCHEMRMKM-GDLZYMKVSA-N 1 0 646.015 5.628 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2nc(-c3ccccn3)c(-c3ccccn3)nc2n1 ZINC000082155269 562740483 /nfs/dbraw/zinc/74/04/83/562740483.db2.gz JZKVNQHQWTWXFP-FQEVSTJZSA-N 1 0 528.661 5.640 1 0 KKAFRO COc1cccc(CN(c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000082157453 562740899 /nfs/dbraw/zinc/74/08/99/562740899.db2.gz WKCUCNKLVWTUOU-HXUWFJFHSA-N 1 0 620.419 6.839 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(F)c(F)c4)c4ccccc4c3=O)CC2)c1 ZINC000082157760 562740980 /nfs/dbraw/zinc/74/09/80/562740980.db2.gz YVVMAGRTTSOPEO-UHFFFAOYSA-N 1 0 516.592 5.570 1 0 in-vitro KKAFRO [NH3+][C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175468 562741629 /nfs/dbraw/zinc/74/16/29/562741629.db2.gz LIMJKIRESKWUFU-PKTZIBPZSA-N 1 0 666.816 7.736 1 0 KKAFRO C[NH+](CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21)CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21 ZINC000082191132 562742662 /nfs/dbraw/zinc/74/26/62/562742662.db2.gz OVCRCATWILSLDG-UHFFFAOYSA-N 1 0 657.778 6.762 1 0 KKAFRO O[C@]1(c2ccc(F)c(F)c2)CC[NH2+]C[C@@H]1c1onc(-c2cccc(Cl)c2Cl)c1Br ZINC000084596658 562743764 /nfs/dbraw/zinc/74/37/64/562743764.db2.gz OZFKVMALEJNYGS-ODXCJYRJSA-N 1 0 504.158 5.654 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCCCC3)ccn2)cc2c[nH]nc21 ZINC000084604084 562744284 /nfs/dbraw/zinc/74/42/84/562744284.db2.gz OATCGYGVXJZTCA-UMSFTDKQSA-N 1 0 618.782 6.784 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084616227 562744566 /nfs/dbraw/zinc/74/45/66/562744566.db2.gz UGZLOXSYSUEOAM-LOSJGSFVSA-N 1 0 556.101 6.036 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)ccc2o1 ZINC000084619626 562745293 /nfs/dbraw/zinc/74/52/93/562745293.db2.gz GQYKIJZPMPGPIM-UHFFFAOYSA-N 1 0 541.692 6.888 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000084632107 562745439 /nfs/dbraw/zinc/74/54/39/562745439.db2.gz CWGUTASCGOXMTO-IZZNHLLZSA-N 1 0 575.531 6.986 1 0 KKAFRO CCCCOc1cc2c(cc1OCC[NH+](CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000084634473 562745890 /nfs/dbraw/zinc/74/58/90/562745890.db2.gz LTSDWGYIBKCSLV-UHFFFAOYSA-N 1 0 505.432 6.175 1 0 KKAFRO Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1C ZINC000084634870 562745993 /nfs/dbraw/zinc/74/59/93/562745993.db2.gz FJYKKDSINJTGDP-YTTGMZPUSA-N 1 0 592.765 5.628 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C[NH+]3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084635197 562746108 /nfs/dbraw/zinc/74/61/08/562746108.db2.gz SLKTUVPPNJWTAB-JGCGQSQUSA-N 1 0 607.759 6.185 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccccn2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084652840 562746669 /nfs/dbraw/zinc/74/66/69/562746669.db2.gz BFVFPTVOMISHBH-WMELESEDSA-N 1 0 687.820 5.498 1 0 KKAFRO O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCC[NH+]4CCCC4)cc3)n[nH]2)cc1)OCc1ccccc1 ZINC000084653507 562746855 /nfs/dbraw/zinc/74/68/55/562746855.db2.gz MWOBEOJMSDHMFO-UHFFFAOYSA-N 1 0 539.636 5.230 1 0 KKAFRO Clc1cccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)c1 ZINC000084653494 562746875 /nfs/dbraw/zinc/74/68/75/562746875.db2.gz AIOXNMPFHMQKSX-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4ccccc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084653491 562746887 /nfs/dbraw/zinc/74/68/87/562746887.db2.gz HPLQQIPBTRZDSJ-UUWRZZSWSA-N 1 0 561.085 7.574 1 0 KKAFRO Cc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)c(O[C@@H](C)c4ccccc4C(F)(F)F)c3)c2)sc1C[NH+](C)C ZINC000084654423 562747259 /nfs/dbraw/zinc/74/72/59/562747259.db2.gz CUQJLXJQXXVHHB-KRWDZBQOSA-N 1 0 554.638 6.687 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084654837 562747373 /nfs/dbraw/zinc/74/73/73/562747373.db2.gz NHXNABQBMQIFRX-YHZWMNSLSA-N 1 0 659.810 5.815 1 0 KKAFRO C[C@@H](Oc1cc(-c2cc(-c3ccc(C[NH+]4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655186 562747438 /nfs/dbraw/zinc/74/74/38/562747438.db2.gz UDRXFTHAAGUSLS-LJQANCHMSA-N 1 0 580.676 7.303 1 0 KKAFRO C[C@@H](Oc1cc(-c2nc(-c3ccc(C[NH+](C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655409 562747487 /nfs/dbraw/zinc/74/74/87/562747487.db2.gz JBRZKYLSQYOAJO-OAHLLOKOSA-N 1 0 541.599 5.774 1 0 KKAFRO Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC000084655458 562747535 /nfs/dbraw/zinc/74/75/35/562747535.db2.gz WGJIAMSLBTZDEA-HHHXNRCGSA-N 1 0 503.965 5.441 1 0 KKAFRO COc1cc(CN2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670683 562748347 /nfs/dbraw/zinc/74/83/47/562748347.db2.gz DQRHHCDOOFBYIO-DEOSSOPVSA-N 1 0 552.706 6.795 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccc2ccccc21 ZINC000084671287 562748551 /nfs/dbraw/zinc/74/85/51/562748551.db2.gz JDLWSPXQVKURGN-PBBNMVCDSA-N 1 0 632.687 5.028 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000084672297 562748741 /nfs/dbraw/zinc/74/87/41/562748741.db2.gz PNNURZBAOYBVQO-KPLVRAHFSA-N 1 0 629.543 5.354 1 0 KKAFRO c1cc(-c2ccncc2)oc1C1=NO[C@@H](c2ccccc2-c2cncnc2)N1c1ccc(N2CC[NH2+]CC2)cc1 ZINC000084709177 562750277 /nfs/dbraw/zinc/75/02/77/562750277.db2.gz XJPWEUGASNNPSG-HKBQPEDESA-N 1 0 529.604 5.105 1 0 KKAFRO Cc1nc(CN(C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084711094 562750622 /nfs/dbraw/zinc/75/06/22/562750622.db2.gz NBDDNMFLLUDTIY-YTTGMZPUSA-N 1 0 601.817 7.926 1 0 KKAFRO Cc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084714086 562750938 /nfs/dbraw/zinc/75/09/38/562750938.db2.gz XIQANYWLCOBFCT-XIFFEERXSA-N 1 0 599.845 8.096 1 0 KKAFRO Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)c(F)c1 ZINC000084723430 562751044 /nfs/dbraw/zinc/75/10/44/562751044.db2.gz NQESPVWTXKDFFE-MUUNZHRXSA-N 1 0 520.967 6.185 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084739767 562751993 /nfs/dbraw/zinc/75/19/93/562751993.db2.gz DVSVXYKXZWWKJP-YHZWMNSLSA-N 1 0 659.810 5.815 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084756780 562752277 /nfs/dbraw/zinc/75/22/77/562752277.db2.gz AEPMTVIAOAXCNH-WMELESEDSA-N 1 0 659.810 5.815 1 0 KKAFRO COc1c(C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC[C@@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C ZINC000084758463 562752629 /nfs/dbraw/zinc/75/26/29/562752629.db2.gz SYTCYUDZWUIXOD-YZNIXAGQSA-N 1 0 533.757 5.576 1 0 KKAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nc3cc(Cl)ccc3c(=O)n2CC2=CC=CCC2)C(C)C)cc1 ZINC000084758477 562752642 /nfs/dbraw/zinc/75/26/42/562752642.db2.gz MFEFIEUBWIGETP-HHHXNRCGSA-N 1 0 519.089 5.823 1 0 in-man KKAFRO C[NH+]1CCC([C@@H](CCCCC(=O)N2CC[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)C2)c2ccccc2)CC1 ZINC000084758467 562752654 /nfs/dbraw/zinc/75/26/54/562752654.db2.gz PEVJKPBZHLDFLW-DFHRPNOPSA-N 1 0 544.567 6.258 1 0 KKAFRO COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(=O)n(-c3ccccc3)n(C)c2C(C)(C)[NH3+])cc1F ZINC000084759485 562752948 /nfs/dbraw/zinc/75/29/48/562752948.db2.gz ZKRUOFXSJYQEJY-UHFFFAOYSA-N 1 0 541.583 5.110 1 0 KKAFRO O=C(c1ccc(Cl)cc1)c1ccc(OC/C=C/COCCC[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000084759422 562752966 /nfs/dbraw/zinc/75/29/66/562752966.db2.gz XRJSIJUQVUXSLF-OWOJBTEDSA-N 1 0 516.440 6.538 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084759612 562753029 /nfs/dbraw/zinc/75/30/29/562753029.db2.gz COLCSLXMFRBWBY-BBANNHEPSA-N 1 0 575.531 6.986 1 0 KKAFRO COc1ccc(OC)c2c1CCN(CC[NH+]1CCC(C(=O)Nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC1)C2 ZINC000084854151 562753047 /nfs/dbraw/zinc/75/30/47/562753047.db2.gz SNYZSCVWJPQHTP-UHFFFAOYSA-N 1 0 577.125 5.318 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095538186 562754571 /nfs/dbraw/zinc/75/45/71/562754571.db2.gz GBTCDSUSVMDXPF-FAIXQHPJSA-N 1 0 759.908 5.836 1 0 KKAFRO O=C(CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095539992 562755442 /nfs/dbraw/zinc/75/54/42/562755442.db2.gz XJMWWALONVOUBI-LHEWISCISA-N 1 0 792.821 8.497 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)OCC(=O)N(C)C)c1 ZINC000095548076 562759114 /nfs/dbraw/zinc/75/91/14/562759114.db2.gz MYYDRLLCLWPOSB-QBXGCOSESA-N 1 0 824.843 6.869 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548848 562759541 /nfs/dbraw/zinc/75/95/41/562759541.db2.gz OWLIDSNTELINGK-VPIXHZGDSA-N 1 0 744.827 6.175 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548849 562759544 /nfs/dbraw/zinc/75/95/44/562759544.db2.gz OWLIDSNTELINGK-UYXHYHOQSA-N 1 0 744.827 6.175 1 0 KKAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3cccc(C(F)(F)F)c3)C[NH2+]2)C1=O ZINC000095548868 562759565 /nfs/dbraw/zinc/75/95/65/562759565.db2.gz FAJUKEHUTZFPSJ-CKSNJWPKSA-N 1 0 772.856 5.474 1 0 KKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1)c1ccccc1 ZINC000095550334 562760088 /nfs/dbraw/zinc/76/00/88/562760088.db2.gz KHBCDHGLAQMFCM-RPIVSMJNSA-N 1 0 762.992 6.347 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCCO[N+](=O)[O-] ZINC000095552647 562760744 /nfs/dbraw/zinc/76/07/44/562760744.db2.gz UHAQXHVUNBQUOS-FBMGVBCBSA-N 1 0 576.694 5.901 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@H]([NH3+])CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553373 562760908 /nfs/dbraw/zinc/76/09/08/562760908.db2.gz ATLHHAOOYRUXSA-AUDZHZMHSA-N 1 0 801.053 6.126 1 0 KKAFRO O=c1cc(-c2ccc(OCC[NH+](CCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccncc3)cc2)oc2ccccc12 ZINC000095554526 562761306 /nfs/dbraw/zinc/76/13/06/562761306.db2.gz NXMMFVWZDPEROW-UHFFFAOYSA-N 1 0 636.704 7.588 1 0 KKAFRO Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 ZINC000095556840 562761829 /nfs/dbraw/zinc/76/18/29/562761829.db2.gz YFCXGZOWAVGWJN-JOCHJYFZSA-N 1 0 564.134 5.157 1 0 KKAFRO CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000095561959 562763551 /nfs/dbraw/zinc/76/35/51/562763551.db2.gz BJLACMXLNVBWES-NJDYKEBGSA-N 1 0 522.733 6.659 1 0 KKAFRO CCCCc1sc(-c2ccc(OC[C@@H]3CCC[N@H+](CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563334 562763944 /nfs/dbraw/zinc/76/39/44/562763944.db2.gz WROFIVGZFHZPEZ-XMMPIXPASA-N 1 0 561.191 9.376 1 0 KKAFRO Fc1ccc(Cl)c(CNc2nc(C(F)(F)F)nc3ncc(-c4cnn(C5CC[NH2+]CC5)c4)cc32)c1Cl ZINC000095563890 562764084 /nfs/dbraw/zinc/76/40/84/562764084.db2.gz AMSRXONXHSGQBH-UHFFFAOYSA-N 1 0 540.352 5.890 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095564526 562764350 /nfs/dbraw/zinc/76/43/50/562764350.db2.gz VLABVJXETLVVIO-QLVXXPONSA-N 1 0 554.707 5.131 1 0 KKAFRO COc1ccc2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000095565793 562764688 /nfs/dbraw/zinc/76/46/88/562764688.db2.gz LGYGVSKIRRZPPR-UHFFFAOYSA-N 1 0 541.655 6.865 3 0 KKAFRO 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 ZINC000095566142 562764809 /nfs/dbraw/zinc/76/48/09/562764809.db2.gz GDLSESYYEZMWDL-NCLPYWGKSA-N 1 0 697.799 6.167 1 0 KKAFRO 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 ZINC000095566604 562765050 /nfs/dbraw/zinc/76/50/50/562765050.db2.gz DEMCBGNJFOTASI-PCFSMJPMSA-N 1 0 638.589 5.214 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566513 562765078 /nfs/dbraw/zinc/76/50/78/562765078.db2.gz VFODUGZKJXJXBF-AXHSOIPPSA-N 1 0 658.843 6.308 1 0 KKAFRO 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 ZINC000095566659 562765174 /nfs/dbraw/zinc/76/51/74/562765174.db2.gz GFVNWDBMZVYSCS-QAJXPZEFSA-N 1 0 694.833 5.455 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095567059 562765477 /nfs/dbraw/zinc/76/54/77/562765477.db2.gz LYCSFODXVIYFGQ-FBPNTFGJSA-N 1 0 694.789 5.246 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567191 562765578 /nfs/dbraw/zinc/76/55/78/562765578.db2.gz IFLLFBGKWUQYRJ-MTSKFENVSA-N 1 0 721.899 6.941 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567328 562765669 /nfs/dbraw/zinc/76/56/69/562765669.db2.gz UHYLZCFMZDIRGN-URCRQUEMSA-N 1 0 652.636 6.720 1 0 KKAFRO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095567544 562765904 /nfs/dbraw/zinc/76/59/04/562765904.db2.gz YHYAWRQKEINXTD-SPWOZAQASA-N 1 0 696.043 6.663 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567934 562766190 /nfs/dbraw/zinc/76/61/90/562766190.db2.gz YBNZKBDLNSUZNE-ZLEIESQFSA-N 1 0 624.738 5.494 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568018 562766243 /nfs/dbraw/zinc/76/62/43/562766243.db2.gz DTGXRBNGNVLSQA-DTMRYJDCSA-N 1 0 672.911 7.791 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568278 562766450 /nfs/dbraw/zinc/76/64/50/562766450.db2.gz LMVYLEREBXGKHC-VWGARZEKSA-N 1 0 652.792 6.413 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095568363 562766595 /nfs/dbraw/zinc/76/65/95/562766595.db2.gz AMEWTOKWBIKYEC-USUMGCFOSA-N 1 0 664.807 5.446 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568601 562766777 /nfs/dbraw/zinc/76/67/77/562766777.db2.gz VYCOOHAMPRTWAW-QXULMBECSA-N 1 0 719.927 6.745 1 0 KKAFRO 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 ZINC000095568644 562766810 /nfs/dbraw/zinc/76/68/10/562766810.db2.gz FGZYRMRERWZGKV-CJYOKPGZSA-N 1 0 614.665 5.710 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095568856 562766926 /nfs/dbraw/zinc/76/69/26/562766926.db2.gz CMLTYIJXOZVOLL-NVOANOBXSA-N 1 0 612.815 6.089 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568833 562766954 /nfs/dbraw/zinc/76/69/54/562766954.db2.gz DOYVPIVJJALYPS-SYZUXVNWSA-N 1 0 604.714 6.011 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568895 562766990 /nfs/dbraw/zinc/76/69/90/562766990.db2.gz GHZMXVOCHVGOQG-IWITZMJESA-N 1 0 635.850 5.529 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568923 562767016 /nfs/dbraw/zinc/76/70/16/562767016.db2.gz YBNZKBDLNSUZNE-UBWLVADZSA-N 1 0 624.738 5.494 1 0 KKAFRO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000095569129 562767192 /nfs/dbraw/zinc/76/71/92/562767192.db2.gz NOKGHPUTVAEQCP-ZQWQDMLBSA-N 1 0 696.043 6.663 3 0 KKAFRO 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 ZINC000095569256 562767310 /nfs/dbraw/zinc/76/73/10/562767310.db2.gz XGMQKVJTWVADHD-HJBDBDOVSA-N 1 0 714.826 7.286 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095569531 562767485 /nfs/dbraw/zinc/76/74/85/562767485.db2.gz APLMONIUGAOYQF-DIBPYXDISA-N 1 0 629.541 5.718 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569758 562767690 /nfs/dbraw/zinc/76/76/90/562767690.db2.gz GFRGPEHDGBPCHF-BSUMSBOOSA-N 1 0 748.075 6.724 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570128 562767975 /nfs/dbraw/zinc/76/79/75/562767975.db2.gz RAWKXIVYXKZPFJ-HNMNOHOESA-N 1 0 616.656 5.770 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095570208 562768007 /nfs/dbraw/zinc/76/80/07/562768007.db2.gz SGMOQBHEVPGXKI-SNCSJZQCSA-N 1 0 610.730 6.489 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570250 562768043 /nfs/dbraw/zinc/76/80/43/562768043.db2.gz XJOPVLQFFGEWNL-ZRLASMASSA-N 1 0 597.678 5.168 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570321 562768134 /nfs/dbraw/zinc/76/81/34/562768134.db2.gz RBDGKEGTWTXSMS-CZBREUMFSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570386 562768147 /nfs/dbraw/zinc/76/81/47/562768147.db2.gz DTGXRBNGNVLSQA-JLDYTBLRSA-N 1 0 672.911 7.791 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570398 562768186 /nfs/dbraw/zinc/76/81/86/562768186.db2.gz PMSXCOZUFRLTET-SGQICDRISA-N 1 0 660.737 7.369 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768538 /nfs/dbraw/zinc/76/85/38/562768538.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N 1 0 655.044 5.729 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570946 562768646 /nfs/dbraw/zinc/76/86/46/562768646.db2.gz TXGYYWCQXDVHML-YBBGPBPVSA-N 1 0 634.699 6.855 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570970 562768649 /nfs/dbraw/zinc/76/86/49/562768649.db2.gz ISYWMCSQLOVTPH-XIZGUHLZSA-N 1 0 643.829 5.078 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571013 562768665 /nfs/dbraw/zinc/76/86/65/562768665.db2.gz WNMJLARWBKXIKH-FQWYTPLZSA-N 1 0 660.840 7.082 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095571190 562768821 /nfs/dbraw/zinc/76/88/21/562768821.db2.gz OCOAZZWZFVYNQI-VBEKBXFHSA-N 1 0 670.678 7.173 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571360 562769026 /nfs/dbraw/zinc/76/90/26/562769026.db2.gz NPEDMRUCBXVYJC-DVIHYUSWSA-N 1 0 660.737 7.369 1 0 KKAFRO CCC[NH2+]CC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCCCCCCn1cnc2c1ncnc2Cl)OCO3 ZINC000095572531 562769423 /nfs/dbraw/zinc/76/94/23/562769423.db2.gz VASAJFBRMLPKIR-FIRIVFDPSA-N 1 0 692.213 6.183 1 0 KKAFRO CN(CCCCC[N@H+](C)Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095576063 562770527 /nfs/dbraw/zinc/77/05/27/562770527.db2.gz IOZXVPRYPZPTHB-UHFFFAOYSA-N 1 0 517.677 6.138 1 0 KKAFRO O=C(CCc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000095577039 562770826 /nfs/dbraw/zinc/77/08/26/562770826.db2.gz WTQCCWURXMRMMY-GBYFWFCKSA-N 1 0 619.161 6.990 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CCC([NH+](C)C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095578703 562771352 /nfs/dbraw/zinc/77/13/52/562771352.db2.gz IGTIROPAMADUPR-UHFFFAOYSA-N 1 0 603.653 5.311 1 0 KKAFRO CCOCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095580415 562771843 /nfs/dbraw/zinc/77/18/43/562771843.db2.gz XLZMPDBDSOQRLV-HZFUHODCSA-N 1 0 592.806 5.255 1 0 KKAFRO Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587077 562774223 /nfs/dbraw/zinc/77/42/23/562774223.db2.gz OYZXLODRFPWHAB-UHFFFAOYSA-N 1 0 639.287 11.417 1 0 KKAFRO CCCCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095588853 562774761 /nfs/dbraw/zinc/77/47/61/562774761.db2.gz CCJRXJMAXZKKQD-UHFFFAOYSA-N 1 0 623.745 5.401 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H](O)[C@@H]([NH2+]Cc3ccc(I)o3)CC[C@]12C ZINC000095588849 562774801 /nfs/dbraw/zinc/77/48/01/562774801.db2.gz PWVPUSOWIGEZGE-DHXQKRHUSA-N 1 0 501.493 6.382 1 0 KKAFRO CCCCc1c(Br)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095589767 562775043 /nfs/dbraw/zinc/77/50/43/562775043.db2.gz VRECQUOXNHVJSL-UHFFFAOYSA-N 1 0 702.641 6.164 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095599182 562777813 /nfs/dbraw/zinc/77/78/13/562777813.db2.gz JUEHVKXRGUAEIX-HOPFVHLTSA-N 1 0 753.690 8.584 1 0 KKAFRO 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 ZINC000095599574 562778192 /nfs/dbraw/zinc/77/81/92/562778192.db2.gz LZRMYYQDLQFCEK-UBGOJMQMSA-N 1 0 728.809 7.006 1 0 KKAFRO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095599727 562778261 /nfs/dbraw/zinc/77/82/61/562778261.db2.gz DKFJGYQTLBOWCX-ULPIOCOXSA-N 1 0 558.723 5.493 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599974 562778481 /nfs/dbraw/zinc/77/84/81/562778481.db2.gz GQVRJEGSXSCMGQ-RDXDNIQESA-N 1 0 650.780 5.517 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600079 562778597 /nfs/dbraw/zinc/77/85/97/562778597.db2.gz AOVZEKKCHSEONH-GHVZQYPWSA-N 1 0 655.833 5.554 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600196 562778702 /nfs/dbraw/zinc/77/87/02/562778702.db2.gz ZKPAWGOFKUDAFA-WTRZPYMOSA-N 1 0 685.788 6.672 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@H]1c1cccc(F)c1 ZINC000095600255 562778754 /nfs/dbraw/zinc/77/87/54/562778754.db2.gz WJVHBYPUYBRWRJ-VWLOTQADSA-N 1 0 511.519 5.994 3 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095600333 562778834 /nfs/dbraw/zinc/77/88/34/562778834.db2.gz JUEHVKXRGUAEIX-ZCKQCUHLSA-N 1 0 753.690 8.584 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095600541 562778994 /nfs/dbraw/zinc/77/89/94/562778994.db2.gz CMLTYIJXOZVOLL-FHLNUDKKSA-N 1 0 612.815 6.089 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095600637 562779081 /nfs/dbraw/zinc/77/90/81/562779081.db2.gz ISGWUMSRLISZDA-RLJUXYCZSA-N 1 0 720.760 7.030 1 0 KKAFRO 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)Cc3ccccc3)cc2C1=O ZINC000095600806 562779211 /nfs/dbraw/zinc/77/92/11/562779211.db2.gz QWTHGLUFUCUWTA-JALBGMRZSA-N 1 0 684.705 7.102 1 0 KKAFRO C[C@H](C[NH+](C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095600872 562779245 /nfs/dbraw/zinc/77/92/45/562779245.db2.gz MIZPSDDIQOSQOK-PYAKLNENSA-N 1 0 680.271 5.123 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600994 562779379 /nfs/dbraw/zinc/77/93/79/562779379.db2.gz QSPQZTLSTLHHFB-YPMZNXIVSA-N 1 0 592.740 6.350 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600969 562779404 /nfs/dbraw/zinc/77/94/04/562779404.db2.gz PIPSXTOHKBCCEO-SUCLBKFRSA-N 1 0 702.790 7.416 1 0 KKAFRO COc1ccc(NC(=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 ZINC000095601344 562779586 /nfs/dbraw/zinc/77/95/86/562779586.db2.gz MQYRYLVPTZBBHK-NUNJUMJCSA-N 1 0 714.826 7.286 1 0 KKAFRO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095601605 562779667 /nfs/dbraw/zinc/77/96/67/562779667.db2.gz HBIOTSSIAUJKOB-OVWOLCBMSA-N 1 0 588.749 5.290 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095601678 562779744 /nfs/dbraw/zinc/77/97/44/562779744.db2.gz UPYOMULBLKVBBL-VTRVSUCGSA-N 1 0 622.851 6.638 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602085 562779874 /nfs/dbraw/zinc/77/98/74/562779874.db2.gz OJRCSESGEQSIMB-ICKFRXAFSA-N 1 0 690.598 6.488 1 0 KKAFRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2c(-c3ccc(-c4ccccc4)cc3)sc(-c3ccc(-c4ccccc4)cc3)c21 ZINC000095602257 562779999 /nfs/dbraw/zinc/77/99/99/562779999.db2.gz VUUZYEKQYFQPPB-UHFFFAOYSA-N 1 0 603.787 10.078 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095603407 562780511 /nfs/dbraw/zinc/78/05/11/562780511.db2.gz KTOLAWMRFLMANX-PNCWTNKOSA-N 1 0 683.812 6.814 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603692 562780612 /nfs/dbraw/zinc/78/06/12/562780612.db2.gz PIPSXTOHKBCCEO-IUVSGJEMSA-N 1 0 702.790 7.416 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604620 562781083 /nfs/dbraw/zinc/78/10/83/562781083.db2.gz LXRLVBFXBBYPLC-PHVLTXCSSA-N 1 0 540.680 5.202 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095604615 562781121 /nfs/dbraw/zinc/78/11/21/562781121.db2.gz KVYNYDNSHYPGTF-CYCDCDHJSA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604897 562781285 /nfs/dbraw/zinc/78/12/85/562781285.db2.gz MURCZWOVERITEN-XIWHWFKQSA-N 1 0 629.779 5.632 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095605653 562781620 /nfs/dbraw/zinc/78/16/20/562781620.db2.gz LMVYLEREBXGKHC-IGHHUVOLSA-N 1 0 652.792 6.413 1 0 KKAFRO Nc1nc(-c2cccc(C[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)cc2nc(-c3ccco3)nn21 ZINC000095606423 562782095 /nfs/dbraw/zinc/78/20/95/562782095.db2.gz ZSBWBRYZRRUMHA-UHFFFAOYSA-N 1 0 520.424 5.263 1 0 KKAFRO C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000095607555 562782859 /nfs/dbraw/zinc/78/28/59/562782859.db2.gz ZPKHVQNRKMCYGL-AFAPVMNMSA-N 1 0 771.881 6.605 1 0 in-man KKAFRO O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1 ZINC000095610106 562784168 /nfs/dbraw/zinc/78/41/68/562784168.db2.gz KAIRDRAOLOPZSO-YDAXCOIMSA-N 1 0 827.764 7.370 1 0 KKAFRO O=C(NCc1cccc(C(F)(F)F)c1)[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000095613114 562786084 /nfs/dbraw/zinc/78/60/84/562786084.db2.gz JHDFCRWAMRCRCA-SHLHIWSGSA-N 1 0 743.827 5.653 1 0 KKAFRO CN(C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC000095613252 562786162 /nfs/dbraw/zinc/78/61/62/562786162.db2.gz PLAKJZALDCQTJA-XIFFEERXSA-N 1 0 741.307 6.035 1 0 KKAFRO NC(=O)[C@@H](C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000095615177 562787159 /nfs/dbraw/zinc/78/71/59/562787159.db2.gz XYLIOOCBCOUPES-RRHRGVEJSA-N 1 0 743.859 7.345 1 0 in-vitro KKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095617313 562787967 /nfs/dbraw/zinc/78/79/67/562787967.db2.gz VXGFPSFJYWTKHV-IADCTJSHSA-N 1 0 741.604 8.313 1 0 KKAFRO COCC[NH+]1CCC(N(CC2(O)CCN(c3ccc(C(F)(F)F)cc3)CC2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000095617326 562787969 /nfs/dbraw/zinc/78/79/69/562787969.db2.gz UVDICRRUXPZVEL-UHFFFAOYSA-N 1 0 758.854 6.562 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000095670082 562788266 /nfs/dbraw/zinc/78/82/66/562788266.db2.gz AJUAJKZVPJDBSA-DHLKQENFSA-N 1 0 538.404 6.350 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680094 562788379 /nfs/dbraw/zinc/78/83/79/562788379.db2.gz AYFIOZIDKGBGDF-IEOSBIPESA-N 1 0 602.757 5.563 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)O3)cc1 ZINC000095755190 562788886 /nfs/dbraw/zinc/78/88/86/562788886.db2.gz QTHBIZIZCLMCFV-HFZPWKHCSA-N 1 0 566.743 5.000 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095818817 562789211 /nfs/dbraw/zinc/78/92/11/562789211.db2.gz VLABVJXETLVVIO-IEOSBIPESA-N 1 0 554.707 5.131 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095819197 562789234 /nfs/dbraw/zinc/78/92/34/562789234.db2.gz ORNNHAIJDBYIOA-HNMNOHOESA-N 1 0 590.592 5.793 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789282 /nfs/dbraw/zinc/78/92/82/562789282.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N 1 0 655.044 5.729 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095846147 562789413 /nfs/dbraw/zinc/78/94/13/562789413.db2.gz ACSVFUACEODJDN-OVWOLCBMSA-N 1 0 594.712 5.478 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867161 562789835 /nfs/dbraw/zinc/78/98/35/562789835.db2.gz WCXPCWVVNYKWAF-VWGARZEKSA-N 1 0 659.831 6.170 1 0 KKAFRO CC(=O)N1CCC(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167369 562790481 /nfs/dbraw/zinc/79/04/81/562790481.db2.gz YGWRUECJIONJNP-JYFHCDHNSA-N 1 0 536.931 5.835 1 0 KKAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N(C)CC[NH+]4CCCC4)cc3)nc12 ZINC000096167818 562790687 /nfs/dbraw/zinc/79/06/87/562790687.db2.gz UXOBOKJPTKSDSK-UHFFFAOYSA-N 1 0 517.033 5.271 1 0 KKAFRO CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169811 562790829 /nfs/dbraw/zinc/79/08/29/562790829.db2.gz DSXZRXGQDUOYMH-UHFFFAOYSA-N 1 0 533.076 5.071 1 0 KKAFRO COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc(C4CC[NH+](CC(=O)N(C)C)CC4)cc3)nc12 ZINC000096169833 562790886 /nfs/dbraw/zinc/79/08/86/562790886.db2.gz QNYSUBQXCIWNDI-UHFFFAOYSA-N 1 0 519.049 5.070 1 0 KKAFRO O=C1Nc2ncccc2[C@@]12Cc1cc3cc(CN4C(=O)C5(CCCC5)[NH2+]CC[C@H]4c4cc(F)cc(F)c4)ccc3nc1C2 ZINC000096170603 562791185 /nfs/dbraw/zinc/79/11/85/562791185.db2.gz FIBNNPJFROULPW-ZQAZVOLISA-N 1 0 579.651 5.273 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cn3)c3nc(C)c(C)nc23)c1Cl ZINC000096173418 562791405 /nfs/dbraw/zinc/79/14/05/562791405.db2.gz QVHRLAQYPAUDKQ-UHFFFAOYSA-N 1 0 595.531 5.632 1 0 KKAFRO CC[NH+]1CCN(Cc2cnc3c(C(=O)Nc4cccnc4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1 ZINC000096173407 562791415 /nfs/dbraw/zinc/79/14/15/562791415.db2.gz UTOCNGOVOZNSQE-UHFFFAOYSA-N 1 0 581.504 5.406 1 0 KKAFRO CC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174088 562791658 /nfs/dbraw/zinc/79/16/58/562791658.db2.gz MFIITRQUHPBFOR-UHFFFAOYSA-N 1 0 605.724 5.199 1 0 KKAFRO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174203 562791783 /nfs/dbraw/zinc/79/17/83/562791783.db2.gz LUYNUXMXRMDOMC-PSXMRANNSA-N 1 0 696.734 5.694 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CC[NH+](C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175747 562791962 /nfs/dbraw/zinc/79/19/62/562791962.db2.gz UWXGTHDUBMHDAY-UHFFFAOYSA-N 1 0 631.803 5.816 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@H]5CCC[NH2+]C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175761 562791978 /nfs/dbraw/zinc/79/19/78/562791978.db2.gz AEOHYBTWLQNTOV-NRFANRHFSA-N 1 0 617.776 5.474 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CC[NH+](CC6CC6)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175750 562791980 /nfs/dbraw/zinc/79/19/80/562791980.db2.gz HPECYJSWEBDFOA-UHFFFAOYSA-N 1 0 671.868 6.596 1 0 KKAFRO CC[NH+]1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175748 562791982 /nfs/dbraw/zinc/79/19/82/562791982.db2.gz OVBSBVYGZHPFCX-UHFFFAOYSA-N 1 0 645.830 6.206 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@@H]5CCC[NH2+]C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175760 562792004 /nfs/dbraw/zinc/79/20/04/562792004.db2.gz AEOHYBTWLQNTOV-OAQYLSRUSA-N 1 0 617.776 5.474 1 0 KKAFRO CCc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCOC)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177919 562792472 /nfs/dbraw/zinc/79/24/72/562792472.db2.gz WHKITEXSDVHDKL-UHFFFAOYSA-N 1 0 649.862 6.506 1 0 KKAFRO COCC[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177917 562792481 /nfs/dbraw/zinc/79/24/81/562792481.db2.gz DLDMHQKDHQEYNJ-UHFFFAOYSA-N 1 0 635.835 6.252 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH+](C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177941 562792499 /nfs/dbraw/zinc/79/24/99/562792499.db2.gz QNJHIQJWHYMGFS-UHFFFAOYSA-N 1 0 590.794 6.840 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH+](C[C@@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177943 562792527 /nfs/dbraw/zinc/79/25/27/562792527.db2.gz CHLJQWZELDYSRJ-GDLZYMKVSA-N 1 0 688.817 7.134 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269487 562792959 /nfs/dbraw/zinc/79/29/59/562792959.db2.gz BHBIPNYAHFZVSM-AREMUKBSSA-N 1 0 551.750 8.592 1 0 KKAFRO C[C@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270064 562793131 /nfs/dbraw/zinc/79/31/31/562793131.db2.gz RKVRONUETMYAFM-QHCPKHFHSA-N 1 0 600.691 6.619 1 0 KKAFRO C[C@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270056 562793147 /nfs/dbraw/zinc/79/31/47/562793147.db2.gz HGRAQIZTJBXKFK-DEOSSOPVSA-N 1 0 614.718 7.009 1 0 KKAFRO C[C@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270054 562793155 /nfs/dbraw/zinc/79/31/55/562793155.db2.gz IDYOZSGAARAUPI-VWLOTQADSA-N 1 0 628.745 7.399 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCc2ccccc2)c2ccccc2)c1Cl ZINC000096271214 562793719 /nfs/dbraw/zinc/79/37/19/562793719.db2.gz UZZVALJVPJZKDU-VWLOTQADSA-N 1 0 506.481 6.920 1 0 in-vitro KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCCc2ccccc2)c2ccccc2)c1Cl ZINC000096271213 562793727 /nfs/dbraw/zinc/79/37/27/562793727.db2.gz KGNTWFMEZAEKMD-SANMLTNESA-N 1 0 520.508 7.310 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)cc1F ZINC000096271513 562793816 /nfs/dbraw/zinc/79/38/16/562793816.db2.gz RLOWINIQUHNWJO-UHFFFAOYSA-N 1 0 691.203 9.551 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272624 562794176 /nfs/dbraw/zinc/79/41/76/562794176.db2.gz VTPQFEHGMAIXDV-UHFFFAOYSA-N 1 0 564.690 6.909 1 0 KKAFRO Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)cn2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096272786 562794295 /nfs/dbraw/zinc/79/42/95/562794295.db2.gz WKRSBMFVSRVNIH-UHFFFAOYSA-N 1 0 571.187 7.309 1 0 KKAFRO C[C@@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(Cl)c1Cl ZINC000096273086 562794410 /nfs/dbraw/zinc/79/44/10/562794410.db2.gz STXPRFFEROUFAY-GFCCVEGCSA-N 1 0 506.821 6.298 1 0 KKAFRO CCc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(cc(-c4ccccn4)c3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273402 562794466 /nfs/dbraw/zinc/79/44/66/562794466.db2.gz DSMMKQOEZAECLV-PUPDPRJKSA-N 1 0 632.805 5.547 1 0 KKAFRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 ZINC000096284314 562795105 /nfs/dbraw/zinc/79/51/05/562795105.db2.gz NABAWBCHPQOSTO-CIXCFARBSA-N 1 0 572.590 6.830 1 0 KKAFRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 ZINC000096284315 562795133 /nfs/dbraw/zinc/79/51/33/562795133.db2.gz NABAWBCHPQOSTO-ZYVVXELTSA-N 1 0 572.590 6.830 1 0 KKAFRO Nc1cc(C[NH+]2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccccc54)CC3)CC2)ccn1 ZINC000096285180 562795477 /nfs/dbraw/zinc/79/54/77/562795477.db2.gz CSHNEQFLMBVIPC-UHFFFAOYSA-N 1 0 517.674 5.262 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Br)c2)CC1 ZINC000096285339 562795505 /nfs/dbraw/zinc/79/55/05/562795505.db2.gz ZRBNRFQNYULVHS-LYZGTLIUSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1ccccc1[C@@H]1CN(C2CCCCC2)C(=O)N1C1CC[NH+]([C@@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285423 562795638 /nfs/dbraw/zinc/79/56/38/562795638.db2.gz MZSUZRLLPGOZDL-IADCTJSHSA-N 1 0 546.760 5.186 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccc(Br)cc2)CC1 ZINC000096285413 562795652 /nfs/dbraw/zinc/79/56/52/562795652.db2.gz OBLSTCGAGZPSCE-PIKZIKFNSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccc(Br)cc2)CC1 ZINC000096285414 562795656 /nfs/dbraw/zinc/79/56/56/562795656.db2.gz OBLSTCGAGZPSCE-KMRXNPHXSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000096285416 562795664 /nfs/dbraw/zinc/79/56/64/562795664.db2.gz OBLSTCGAGZPSCE-RBTNQOKQSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2F)CC1 ZINC000096285441 562795720 /nfs/dbraw/zinc/79/57/20/562795720.db2.gz KJRYGRVOCLJMQX-LYZGTLIUSA-N 1 0 550.723 5.017 1 0 KKAFRO O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000096285451 562795722 /nfs/dbraw/zinc/79/57/22/562795722.db2.gz HHCBWVIBTCVDEC-YTTGMZPUSA-N 1 0 509.694 7.255 1 0 KKAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286088 562796033 /nfs/dbraw/zinc/79/60/33/562796033.db2.gz XTOCLIMUJPTPGR-SFHVURJKSA-N 1 0 590.709 5.245 1 0 KKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096900352 562796855 /nfs/dbraw/zinc/79/68/55/562796855.db2.gz JCZLVKLKEQGVNQ-XJGPRUKRSA-N 1 0 515.779 6.702 1 0 KKAFRO CNC(=O)c1ccccc1C1CC[NH+](CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096903707 562798022 /nfs/dbraw/zinc/79/80/22/562798022.db2.gz ZFVJTSCIVDFWRR-HHHXNRCGSA-N 1 0 602.606 7.632 1 0 KKAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6OCc5ccccc5)[C@@H](C[C@@H]32)[C@@H]14 ZINC000096904421 562798345 /nfs/dbraw/zinc/79/83/45/562798345.db2.gz MMQFJHNBGAFZRG-CPTCJIOVSA-N 1 0 527.749 6.075 1 0 KKAFRO C[C@](O)(CCC[NH2+]CCCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907052 562798997 /nfs/dbraw/zinc/79/89/97/562798997.db2.gz DVRYUVPGSCQTFT-LGSXJDRXSA-N 1 0 553.872 6.757 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908957 562799481 /nfs/dbraw/zinc/79/94/81/562799481.db2.gz ZTMPHQXTHAWMHG-OAQYLSRUSA-N 1 0 631.202 7.849 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(C)c2)c1 ZINC000096909586 562799594 /nfs/dbraw/zinc/79/95/94/562799594.db2.gz FLHAKNPXXYWQAC-QABMSTFYSA-N 1 0 501.671 5.766 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(O)c2)c1 ZINC000096909588 562799632 /nfs/dbraw/zinc/79/96/32/562799632.db2.gz STZFLPFWXMKCLF-RBISFHTESA-N 1 0 503.643 5.164 1 0 KKAFRO Cc1ccc2c(I)cc(I)c(OC[C@H](C)CC[NH2+]Cc3ccc(Cl)cc3)c2n1 ZINC000096910432 562800016 /nfs/dbraw/zinc/80/00/16/562800016.db2.gz LWKSUSYOIDUWAO-CQSZACIVSA-N 1 0 620.700 6.601 1 0 KKAFRO CC[NH+]1CCN(CN2C(=O)S[C@@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921567 562801461 /nfs/dbraw/zinc/80/14/61/562801461.db2.gz MVJZVYGZPFMUAF-XTEPFMGCSA-N 1 0 548.112 5.261 1 0 KKAFRO COc1ccc(Cc2nc(-c3cc(Br)c(OCCCC[NH+](C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921943 562801582 /nfs/dbraw/zinc/80/15/82/562801582.db2.gz BNRZXMBKJQOUNE-UHFFFAOYSA-N 1 0 644.202 6.044 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCC(C)CC6)c(OC)cc54)c(F)c3)c3cc(F)ccc3n2)c1 ZINC000096923707 562802134 /nfs/dbraw/zinc/80/21/34/562802134.db2.gz BGNDGDOLSKHSRL-UHFFFAOYSA-N 1 0 718.801 9.291 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1F ZINC000096927162 562802608 /nfs/dbraw/zinc/80/26/08/562802608.db2.gz RORHJZVEPCPUNS-UHFFFAOYSA-N 1 0 656.758 8.815 1 0 KKAFRO O=c1cc(-c2ccc(F)cc2)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929476 562803058 /nfs/dbraw/zinc/80/30/58/562803058.db2.gz NHVPTHMDFCUGJP-UHFFFAOYSA-N 1 0 530.571 6.918 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932295 562803339 /nfs/dbraw/zinc/80/33/39/562803339.db2.gz XQLJHWGHYTTZRD-UHFFFAOYSA-N 1 0 624.688 7.883 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932632 562803461 /nfs/dbraw/zinc/80/34/61/562803461.db2.gz WUFAJLAYRRBRCG-UHFFFAOYSA-N 1 0 639.703 6.645 1 0 KKAFRO CC(C)[NH2+][C@@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143526664 562835132 /nfs/dbraw/zinc/83/51/32/562835132.db2.gz OBORHCMBBBMVJQ-RKDXNWHRSA-N 1 0 587.980 6.334 1 0 KKAFRO CC(C)(C)C(=O)OCn1nnc(-c2ccccc2-c2ccc(C[NH+]3CCC(COC(=O)c4c5ccccc5n5c4OCCC5)CC3)cc2)n1 ZINC000096938681 562804552 /nfs/dbraw/zinc/80/45/52/562804552.db2.gz RYFIZEWWGNARPU-UHFFFAOYSA-N 1 0 662.791 6.360 1 0 KKAFRO Cc1oc(=O)oc1COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938763 562804593 /nfs/dbraw/zinc/80/45/93/562804593.db2.gz ZTJVRUYDVGNNBR-UHFFFAOYSA-N 1 0 636.701 6.371 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)no2)cc1 ZINC000096939426 562804783 /nfs/dbraw/zinc/80/47/83/562804783.db2.gz SPWSXLXQQDPOPR-UHFFFAOYSA-N 1 0 520.630 5.138 1 0 KKAFRO c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(NCC[NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000096940299 562804926 /nfs/dbraw/zinc/80/49/26/562804926.db2.gz DVNHHAJSBMXWLX-UHFFFAOYSA-N 1 0 541.743 7.775 1 0 KKAFRO COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2OCCC[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000098085294 562805807 /nfs/dbraw/zinc/80/58/07/562805807.db2.gz BHVXNFFKZADHCS-UHFFFAOYSA-N 1 0 553.486 6.362 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc5c(c4)OCO5)n(Cc4ccc5c(c4)OCO5)c3c2)C1C(=O)OC ZINC000100028550 562806172 /nfs/dbraw/zinc/80/61/72/562806172.db2.gz QCCKAXCZOSFYDZ-SFJQQJTMSA-N 1 0 595.608 5.630 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(C)cc1 ZINC000100032675 562806253 /nfs/dbraw/zinc/80/62/53/562806253.db2.gz CACGBSVXIXSELL-VQPGRYLNSA-N 1 0 577.769 6.832 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCc2ccncc2)C(C2=C(C)SCCS2)C1C(=O)OCc1ccncc1 ZINC000100033826 562806257 /nfs/dbraw/zinc/80/62/57/562806257.db2.gz RYPALGXDIDDMDF-APHLTRPNSA-N 1 0 509.653 5.582 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2=CN(C)C=CC2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000100047214 562806365 /nfs/dbraw/zinc/80/63/65/562806365.db2.gz NGPXQJPPWBWKCB-WGHBEHPSSA-N 1 0 521.397 5.061 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2=CN(C)C=CC2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000100047213 562806376 /nfs/dbraw/zinc/80/63/76/562806376.db2.gz NGPXQJPPWBWKCB-QBHDBVHESA-N 1 0 521.397 5.061 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(S(C)(=O)=O)C2 ZINC000100076196 562806638 /nfs/dbraw/zinc/80/66/38/562806638.db2.gz YZMLHIHWKPEZOT-PKQPGRETSA-N 1 0 590.794 5.114 1 0 KKAFRO COC(=O)[C@H](CCCC[NH3+])N(/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000100863144 562808277 /nfs/dbraw/zinc/80/82/77/562808277.db2.gz NESYNDZTQMSTIY-JOGFBLLDSA-N 1 0 620.834 8.584 1 0 KKAFRO COC(=O)C1=C(C)[NH+]=C(C)C(=C([O-])OC)N1c1cccc(NC(=O)NCCC[NH+]2CCC(c3cccc(OC)c3)CC2)c1 ZINC000100883798 562808407 /nfs/dbraw/zinc/80/84/07/562808407.db2.gz NPRPVNMIHUVFLC-SJCQXOIGSA-N 1 0 591.709 5.145 1 0 KKAFRO CC(C)N1CC[NH+]([C@H]2CC[C@@](NC(=O)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916027 562808523 /nfs/dbraw/zinc/80/85/23/562808523.db2.gz QUXYPYOPGAKDPS-PTJQVGQKSA-N 1 0 569.634 6.808 1 0 KKAFRO CC(C)(Cc1cccnc1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101056025 562808951 /nfs/dbraw/zinc/80/89/51/562808951.db2.gz ZHKRPLLAQFFFFA-FKAPRUDGSA-N 1 0 531.660 5.878 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000101084938 562809056 /nfs/dbraw/zinc/80/90/56/562809056.db2.gz GAFGMUJBSNDSHX-BGYRXZFFSA-N 1 0 562.601 5.698 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193593 562809897 /nfs/dbraw/zinc/80/98/97/562809897.db2.gz YOJOIMABKIOJRY-RCFASBGUSA-N 1 0 590.812 7.379 1 0 KKAFRO COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193601 562809913 /nfs/dbraw/zinc/80/99/13/562809913.db2.gz RRFIHKNSVPKCRY-IJGRWTRYSA-N 1 0 594.775 6.990 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101509634 562811139 /nfs/dbraw/zinc/81/11/39/562811139.db2.gz WHEQWKJMWXXWPK-FKGPZVOBSA-N 1 0 641.758 5.907 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645111 562811498 /nfs/dbraw/zinc/81/14/98/562811498.db2.gz KRTZTABXRLIXPM-VQTJNVASSA-N 1 0 547.479 5.621 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645082 562811503 /nfs/dbraw/zinc/81/15/03/562811503.db2.gz XWWBOYDUGHVMQG-RPWUZVMVSA-N 1 0 526.633 5.201 1 0 KKAFRO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696327 562811814 /nfs/dbraw/zinc/81/18/14/562811814.db2.gz QKYZJVXMIUJBOC-FQEVSTJZSA-N 1 0 569.683 5.372 1 0 KKAFRO COCCN1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696300 562811827 /nfs/dbraw/zinc/81/18/27/562811827.db2.gz MLIPALGNAIXVNA-UHFFFAOYSA-N 1 0 626.779 5.257 1 0 KKAFRO C[NH+]1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696466 562811907 /nfs/dbraw/zinc/81/19/07/562811907.db2.gz IQLIAFSKLHLNBU-UHFFFAOYSA-N 1 0 555.700 5.291 1 0 KKAFRO O=C(CC[NH2+]C[C@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696477 562811915 /nfs/dbraw/zinc/81/19/15/562811915.db2.gz FPFNNAWUJOGCJI-OAQYLSRUSA-N 1 0 583.710 5.762 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696582 562811940 /nfs/dbraw/zinc/81/19/40/562811940.db2.gz WAQBFBZSBDGNGY-UHFFFAOYSA-N 1 0 597.737 5.596 1 0 KKAFRO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)[NH2+][C@]32c3cc(F)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000101923831 562812367 /nfs/dbraw/zinc/81/23/67/562812367.db2.gz GYWJPHPCAQKQDJ-NWTPYJHPSA-N 1 0 631.748 6.328 1 0 KKAFRO COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@H+](C)CC2)CCN1C ZINC000102142246 562812739 /nfs/dbraw/zinc/81/27/39/562812739.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 1 0 606.719 6.743 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103101248 562814292 /nfs/dbraw/zinc/81/42/92/562814292.db2.gz GYWUGKYGQVCSEZ-HTNMWRMPSA-N 1 0 641.758 5.706 1 0 KKAFRO Clc1ccc(OCc2ccccc2-c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187452 562815466 /nfs/dbraw/zinc/81/54/66/562815466.db2.gz JDLQPMANXSQNMJ-UHFFFAOYSA-N 1 0 566.170 7.950 1 0 KKAFRO O[C@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)C[NH+]1CCN(c2ccccc2)CC1 ZINC000103189320 562815602 /nfs/dbraw/zinc/81/56/02/562815602.db2.gz SSZZSDMUSFBOKZ-QHCPKHFHSA-N 1 0 535.511 5.335 1 0 KKAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2ccccc2Cl)CC1 ZINC000103189659 562815640 /nfs/dbraw/zinc/81/56/40/562815640.db2.gz PNQRKDQRRQJFRK-UHFFFAOYSA-N 1 0 590.138 5.440 1 0 KKAFRO CCCN(C(=O)Cc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198873 562816004 /nfs/dbraw/zinc/81/60/04/562816004.db2.gz LQKUTPDIDRQGMQ-SSEXGKCCSA-N 1 0 561.792 5.427 1 0 KKAFRO CC(C)[NH+]1CCN(c2nc(Oc3cccc4cccnc43)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103206187 562816447 /nfs/dbraw/zinc/81/64/47/562816447.db2.gz MRGLWPTUTWZFBV-UHFFFAOYSA-N 1 0 594.657 5.050 1 0 KKAFRO CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103214759 562816973 /nfs/dbraw/zinc/81/69/73/562816973.db2.gz YWEINOSANVASTB-HHHXNRCGSA-N 1 0 563.783 7.272 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103217233 562817205 /nfs/dbraw/zinc/81/72/05/562817205.db2.gz ADFBYICNEHVZQD-VWLOTQADSA-N 1 0 579.782 7.108 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225794 562817768 /nfs/dbraw/zinc/81/77/68/562817768.db2.gz GHBCBQSQGDNBNN-REKFDVGBSA-N 1 0 542.749 5.839 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ncccc32)CC1 ZINC000103226392 562817817 /nfs/dbraw/zinc/81/78/17/562817817.db2.gz XQCHWYOVCSDOGG-UHFFFAOYSA-N 1 0 553.629 7.156 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227167 562817879 /nfs/dbraw/zinc/81/78/79/562817879.db2.gz CVHWQXDNAXTQFI-REKFDVGBSA-N 1 0 548.722 6.802 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228604 562818008 /nfs/dbraw/zinc/81/80/08/562818008.db2.gz IWJWEGAAZWVCFU-UHFFFAOYSA-N 1 0 507.587 5.166 1 0 KKAFRO NC(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228781 562818079 /nfs/dbraw/zinc/81/80/79/562818079.db2.gz MNIJWJCCHXLKST-XKSFVOKXSA-N 1 0 513.896 7.077 1 0 KKAFRO C[NH+](C)CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229642 562818103 /nfs/dbraw/zinc/81/81/03/562818103.db2.gz MXYVLFFOOLDPNY-UHFFFAOYSA-N 1 0 562.001 5.568 1 0 KKAFRO CCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234227 562818547 /nfs/dbraw/zinc/81/85/47/562818547.db2.gz IAXNTVHBJQKCBB-UHFFFAOYSA-N 1 0 601.619 5.736 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)[nH+]ccc3c2)c2cc(C)ccc2F)c1 ZINC000103258212 562820978 /nfs/dbraw/zinc/82/09/78/562820978.db2.gz CPUCIMPQRLOYAI-PQHLKRTFSA-N 1 0 633.746 6.142 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C ZINC000103258267 562821040 /nfs/dbraw/zinc/82/10/40/562821040.db2.gz UKRTUGXKHNJCBG-LJAQVGFWSA-N 1 0 541.652 5.431 1 0 KKAFRO Cc1ccc(C[NH2+]CCN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264916 562822024 /nfs/dbraw/zinc/82/20/24/562822024.db2.gz LBQCDLROZAZEQI-UHFFFAOYSA-N 1 0 618.704 7.230 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(O)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264928 562822034 /nfs/dbraw/zinc/82/20/34/562822034.db2.gz RJRVORUDGXGHOB-UHFFFAOYSA-N 1 0 591.634 6.612 1 0 KKAFRO CCC[N@H+](C)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000103264957 562822051 /nfs/dbraw/zinc/82/20/51/562822051.db2.gz JBOXLNYDWBMKKR-UHFFFAOYSA-N 1 0 563.624 7.497 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCC(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265095 562822077 /nfs/dbraw/zinc/82/20/77/562822077.db2.gz LALUMVWWVOZFGT-HHHXNRCGSA-N 1 0 502.493 6.184 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000103286198 562823816 /nfs/dbraw/zinc/82/38/16/562823816.db2.gz BGJXZMTXHJZKQW-XIFFEERXSA-N 1 0 632.632 6.990 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc2ccccc2c1 ZINC000103286209 562823834 /nfs/dbraw/zinc/82/38/34/562823834.db2.gz WQVIAEDJVNDIOB-QNGWXLTQSA-N 1 0 613.802 6.836 1 0 KKAFRO OC[C@@H](O)C[N@@H+]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CCC[C@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000103297279 562824582 /nfs/dbraw/zinc/82/45/82/562824582.db2.gz OXQNPKNPAXQQDM-PDHQKIGBSA-N 1 0 519.729 7.162 1 0 KKAFRO O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)c1c(n2CCC[NH2+]Cc2ccccc2)CCCC1 ZINC000103298962 562824848 /nfs/dbraw/zinc/82/48/48/562824848.db2.gz UGKXCDMDONSMQW-UHFFFAOYSA-N 1 0 516.483 6.715 1 0 KKAFRO Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@H]1CCCC[N@H+]1C2 ZINC000113184623 562826297 /nfs/dbraw/zinc/82/62/97/562826297.db2.gz XWPGBIBRTXZJOU-LJQANCHMSA-N 1 0 508.544 5.233 1 0 KKAFRO COc1cc(-c2cc(F)c3ncc(C(=O)C4CC4)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000114035043 562826999 /nfs/dbraw/zinc/82/69/99/562826999.db2.gz DZPARLBOADBNTP-UHFFFAOYSA-N 1 0 520.004 6.806 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000114034360 562827000 /nfs/dbraw/zinc/82/70/00/562827000.db2.gz MGEPPNAWRUVOBH-HXUWFJFHSA-N 1 0 544.055 6.165 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037139 562827088 /nfs/dbraw/zinc/82/70/88/562827088.db2.gz ZJPPYHGKOYJMCX-IBGZPJMESA-N 1 0 530.028 5.538 1 0 KKAFRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114098355 562827562 /nfs/dbraw/zinc/82/75/62/562827562.db2.gz GZHUKRDKTDCKQD-OAQYLSRUSA-N 1 0 505.030 5.156 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114097526 562827578 /nfs/dbraw/zinc/82/75/78/562827578.db2.gz ADECCDQSRZHJQI-XMMPIXPASA-N 1 0 510.078 5.500 1 0 KKAFRO COc1c(C)cccc1C[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099840 562827617 /nfs/dbraw/zinc/82/76/17/562827617.db2.gz VVFHLEGKGYADNF-HSZRJFAPSA-N 1 0 501.067 5.325 1 0 KKAFRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099584 562827628 /nfs/dbraw/zinc/82/76/28/562827628.db2.gz COPODLXHIVJYHK-HSZRJFAPSA-N 1 0 501.067 5.407 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114100167 562827669 /nfs/dbraw/zinc/82/76/69/562827669.db2.gz NYZQNXXCSARADX-JOCHJYFZSA-N 1 0 532.031 5.735 1 0 KKAFRO COc1ccccc1C[N@@H+]1CCS[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100676 562827671 /nfs/dbraw/zinc/82/76/71/562827671.db2.gz KWZCIYQABOCHKE-VWLOTQADSA-N 1 0 519.107 5.112 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC000114100714 562827711 /nfs/dbraw/zinc/82/77/11/562827711.db2.gz DRYUOJICQGNUEQ-RUZDIDTESA-N 1 0 510.122 5.920 1 0 KKAFRO COc1ccccc1C[N@@H+]1CCS[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100678 562827721 /nfs/dbraw/zinc/82/77/21/562827721.db2.gz KWZCIYQABOCHKE-RUZDIDTESA-N 1 0 519.107 5.112 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347520 562828067 /nfs/dbraw/zinc/82/80/67/562828067.db2.gz PDRMIURRJQICEV-AREMUKBSSA-N 1 0 544.606 5.288 1 0 KKAFRO O=S(=O)(NCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114600477 562828369 /nfs/dbraw/zinc/82/83/69/562828369.db2.gz MAKSMZIXXYIHFQ-UHFFFAOYSA-N 1 0 502.011 5.322 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[NH+](C)C)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114756847 562828412 /nfs/dbraw/zinc/82/84/12/562828412.db2.gz PQKDTUQQZKJBBH-UHFFFAOYSA-N 1 0 509.614 5.596 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccc2cccnc21 ZINC000114978484 562828516 /nfs/dbraw/zinc/82/85/16/562828516.db2.gz VETJCMJGXSPEPZ-GDLZYMKVSA-N 1 0 548.108 5.554 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978906 562828570 /nfs/dbraw/zinc/82/85/70/562828570.db2.gz JNHNPCGNAQZXRG-VEEOACQBSA-N 1 0 624.203 5.358 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH2+]C(C)(C)C4)nc3)c3nccnc23)c1Cl ZINC000115294400 562828794 /nfs/dbraw/zinc/82/87/94/562828794.db2.gz SYNZKDLTNLBLQG-UHFFFAOYSA-N 1 0 581.504 5.452 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc([C@H]3CCC[N@@H+]3C)cn2)c1=O ZINC000116053480 562829136 /nfs/dbraw/zinc/82/91/36/562829136.db2.gz QPCRZCGEDLLNBJ-MUUNZHRXSA-N 1 0 610.734 5.176 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc([C@H]3CCC[N@@H+]3C)cn2)c1=O ZINC000116055355 562829227 /nfs/dbraw/zinc/82/92/27/562829227.db2.gz IDITYFDOXWBOKM-MUUNZHRXSA-N 1 0 627.786 5.978 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CC[NH+](C)CC2)cc1Cl ZINC000117316039 562829722 /nfs/dbraw/zinc/82/97/22/562829722.db2.gz UGQSROIUKTXJQO-UHFFFAOYSA-N 1 0 537.504 5.816 1 0 KKAFRO CCCNc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000117340430 562829742 /nfs/dbraw/zinc/82/97/42/562829742.db2.gz FPFJBHOZHYHVRJ-NDEPHWFRSA-N 1 0 555.144 5.223 1 0 KKAFRO Brc1c2nc(NCC[NH+]3CCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117202317 562829743 /nfs/dbraw/zinc/82/97/43/562829743.db2.gz XETHKAKWFSHRBV-UHFFFAOYSA-N 1 0 545.899 5.121 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000118341839 562830229 /nfs/dbraw/zinc/83/02/29/562830229.db2.gz CMJJSVIOGHESIX-ILHLOOHCSA-N 1 0 592.071 5.969 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799864 562830738 /nfs/dbraw/zinc/83/07/38/562830738.db2.gz LBHRNHIJVFKNRX-QJTKOPTISA-N 1 0 533.112 7.361 1 0 KKAFRO CCCC[N@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920133 562830933 /nfs/dbraw/zinc/83/09/33/562830933.db2.gz FJLYALXMWQKCRF-LPIJWTSISA-N 1 0 523.846 7.504 1 0 KKAFRO CCCC[NH+](CCCC)CCOc1ccc(Cn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000136513942 562831199 /nfs/dbraw/zinc/83/11/99/562831199.db2.gz QICKWGKIIULNMB-UHFFFAOYSA-N 1 0 500.683 7.357 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456616 562831896 /nfs/dbraw/zinc/83/18/96/562831896.db2.gz HTKOYCJPNGGNLS-UHFFFAOYSA-N 1 0 605.017 5.103 1 0 KKAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccccc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685431 562833301 /nfs/dbraw/zinc/83/33/01/562833301.db2.gz FFMCJPBNLPAPGA-DHLKQENFSA-N 1 0 554.657 5.428 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)OC)c[nH]2)c1 ZINC000141639950 562833629 /nfs/dbraw/zinc/83/36/29/562833629.db2.gz JOLDEZJJHVPLPN-MHZLTWQESA-N 1 0 545.615 5.674 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000142715919 562834315 /nfs/dbraw/zinc/83/43/15/562834315.db2.gz RLDHKTIILVTVIL-GBXCKJPGSA-N 1 0 505.610 5.642 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](C)c1ccccc1)CC2 ZINC000143034157 562834485 /nfs/dbraw/zinc/83/44/85/562834485.db2.gz OIYMBMDXDPXFAN-NRFANRHFSA-N 1 0 524.669 5.354 1 0 KKAFRO Cn1nc2c(c1-c1ccccc1Cl)-c1nc(Nc3ccc(C(=O)NCCC[NH+](C)C)cc3Cl)ncc1CC2 ZINC000143096859 562834566 /nfs/dbraw/zinc/83/45/66/562834566.db2.gz RKXCERAHYXWTRP-UHFFFAOYSA-N 1 0 550.494 5.375 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OC4CC[NH+](C)CC4)cc3Cl)nc1-2 ZINC000143114329 562834620 /nfs/dbraw/zinc/83/46/20/562834620.db2.gz TYLMXZYUZRGYOA-UHFFFAOYSA-N 1 0 515.061 5.821 1 0 KKAFRO [NH3+]C1(c2ccc(-c3nc4c5cc(-c6ccc(F)c(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143450047 562835037 /nfs/dbraw/zinc/83/50/37/562835037.db2.gz FLVYELRFPHBXPM-UHFFFAOYSA-N 1 0 514.604 6.853 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143622097 562835194 /nfs/dbraw/zinc/83/51/94/562835194.db2.gz WIIUUFVRSJRGSM-RITPCOANSA-N 1 0 545.899 5.295 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724788 562835226 /nfs/dbraw/zinc/83/52/26/562835226.db2.gz SVRXJVGEJNTFDZ-CEUYOYMZSA-N 1 0 599.697 7.103 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724573 562835246 /nfs/dbraw/zinc/83/52/46/562835246.db2.gz SVRXJVGEJNTFDZ-XKKJXBDVSA-N 1 0 599.697 7.103 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724125 562835256 /nfs/dbraw/zinc/83/52/56/562835256.db2.gz KYDFMNLSOYZOTR-XFCANUNOSA-N 1 0 566.145 6.738 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354731 562836148 /nfs/dbraw/zinc/83/61/48/562836148.db2.gz LGQOJDDTQJSHAG-AREMUKBSSA-N 1 0 504.634 6.230 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)C(C)(C)O3)n1 ZINC000145971463 562837862 /nfs/dbraw/zinc/83/78/62/562837862.db2.gz FTWOSZSHSPDTLL-UHFFFAOYSA-N 1 0 585.583 5.218 1 0 KKAFRO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000146039937 562838010 /nfs/dbraw/zinc/83/80/10/562838010.db2.gz ZFGRMWBYHAUOCE-YTTGMZPUSA-N 1 0 557.760 7.018 1 0 KKAFRO CN1CC[C@@H](NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)[C@@H](F)C1 ZINC000146827334 562838808 /nfs/dbraw/zinc/83/88/08/562838808.db2.gz FNPAWPXECREYQA-HYHVHEOASA-N 1 0 579.519 5.041 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCC[NH+](C)C)nc43)c2)cc1C(F)(F)F ZINC000148066291 562840077 /nfs/dbraw/zinc/84/00/77/562840077.db2.gz HWDZPPMDPBKAFD-UHFFFAOYSA-N 1 0 560.968 5.070 1 0 KKAFRO CNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C[NH+]5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148144450 562840323 /nfs/dbraw/zinc/84/03/23/562840323.db2.gz ILZREVYAOMTVEJ-UHFFFAOYSA-N 1 0 536.562 5.380 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148147619 562840330 /nfs/dbraw/zinc/84/03/30/562840330.db2.gz NDXXPWJSHFKCHK-UHFFFAOYSA-N 1 0 625.675 5.679 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148152664 562840343 /nfs/dbraw/zinc/84/03/43/562840343.db2.gz MKPGEWULCYMBMM-UHFFFAOYSA-N 1 0 607.685 5.731 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000148170787 562840399 /nfs/dbraw/zinc/84/03/99/562840399.db2.gz QPFFJQYDLOSUHI-UHFFFAOYSA-N 1 0 595.674 5.809 1 0 KKAFRO CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(OCC[NH+](C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148165791 562840418 /nfs/dbraw/zinc/84/04/18/562840418.db2.gz XOFAHDWGCDTDHU-UHFFFAOYSA-N 1 0 582.631 5.530 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cncnc21 ZINC000148431794 562841287 /nfs/dbraw/zinc/84/12/87/562841287.db2.gz WGJZQEOIFZOUFM-UHFFFAOYSA-N 1 0 507.520 5.339 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2Cl)n1 ZINC000148441555 562841292 /nfs/dbraw/zinc/84/12/92/562841292.db2.gz AKQKOKBVFPPNLV-UHFFFAOYSA-N 1 0 535.954 5.517 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2)n1 ZINC000148439403 562841311 /nfs/dbraw/zinc/84/13/11/562841311.db2.gz CCEJPJMKRNUWMZ-UHFFFAOYSA-N 1 0 519.499 5.003 1 0 KKAFRO CCOc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148752550 562841798 /nfs/dbraw/zinc/84/17/98/562841798.db2.gz CDIRFGIFXIGSSF-UHFFFAOYSA-N 1 0 598.132 5.480 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000148872894 562841888 /nfs/dbraw/zinc/84/18/88/562841888.db2.gz MNZUQWHEVHRCQC-AREMUKBSSA-N 1 0 510.078 5.422 1 0 KKAFRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148846435 562841916 /nfs/dbraw/zinc/84/19/16/562841916.db2.gz COPODLXHIVJYHK-QHCPKHFHSA-N 1 0 501.067 5.407 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000148891273 562841933 /nfs/dbraw/zinc/84/19/33/562841933.db2.gz TUPQMRFXFANGOP-SANMLTNESA-N 1 0 522.133 6.444 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000148907227 562841937 /nfs/dbraw/zinc/84/19/37/562841937.db2.gz QCHMPSACYGRTML-SANMLTNESA-N 1 0 510.122 5.920 1 0 KKAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H]([NH3+])[C@H]1S(C)(=O)=O ZINC000149316103 562842609 /nfs/dbraw/zinc/84/26/09/562842609.db2.gz IIYNOYBNJALAMM-HQXPOKEDSA-N 1 0 620.669 5.042 1 0 KKAFRO Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(-c6cccc(C(F)(F)F)c6)cc5[nH]4)c3N)ccc2[nH]1 ZINC000149883872 562842790 /nfs/dbraw/zinc/84/27/90/562842790.db2.gz QRNIDLJCQJRXOX-UHFFFAOYSA-N 1 0 500.484 6.037 1 0 KKAFRO CS(=O)(=O)c1cccc(-c2cccc3c2nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1 ZINC000150310027 562843079 /nfs/dbraw/zinc/84/30/79/562843079.db2.gz RIIDZBPZGUCUOW-UHFFFAOYSA-N 1 0 544.680 6.625 1 0 KKAFRO [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@@H](c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F ZINC000150522777 562843530 /nfs/dbraw/zinc/84/35/30/562843530.db2.gz IFCHILTVHARJQZ-MGBGTMOVSA-N 1 0 841.548 8.268 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150537729 562844041 /nfs/dbraw/zinc/84/40/41/562844041.db2.gz DOKUIZCZUOJNKQ-SMUPIAPWSA-N 1 0 660.284 6.514 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150555622 562844716 /nfs/dbraw/zinc/84/47/16/562844716.db2.gz DOKUIZCZUOJNKQ-CYFDYVNOSA-N 1 0 660.284 6.514 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584323 562845689 /nfs/dbraw/zinc/84/56/89/562845689.db2.gz KHNPPFOCVAHBIR-WNOXWKSXSA-N 1 0 776.323 6.906 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584318 562845702 /nfs/dbraw/zinc/84/57/02/562845702.db2.gz KHNPPFOCVAHBIR-GOJCVTOHSA-N 1 0 776.323 6.906 1 0 KKAFRO CC[C@]12C=CCN3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CC[N@@H+]7CC[C@]54[C@@H]76)C1)[C@@H]32 ZINC000150593869 562846422 /nfs/dbraw/zinc/84/64/22/562846422.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 1 0 672.826 5.332 1 0 KKAFRO NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCC[NH+]2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593684 562846429 /nfs/dbraw/zinc/84/64/29/562846429.db2.gz MKKJIZLBKPCEJF-SFHVURJKSA-N 1 0 647.395 5.442 1 0 KKAFRO C[NH+]1CCN(c2ccc(F)cc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606270 562847871 /nfs/dbraw/zinc/84/78/71/562847871.db2.gz URWOBHXKJKTXDM-AFPLUKJUSA-N 1 0 664.892 5.428 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CC[C@H](F)C6)nc45)c3)cc(C(F)(F)F)c2)CC1 ZINC000165257211 562849957 /nfs/dbraw/zinc/84/99/57/562849957.db2.gz QHFXABQGUZFGBC-NRFANRHFSA-N 1 0 638.674 5.015 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([N@H+]6C[C@@H](C)O[C@@H](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281728 562850057 /nfs/dbraw/zinc/85/00/57/562850057.db2.gz DRFCRUIAPYTWHE-OYRHEFFESA-N 1 0 650.706 5.830 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(CCC[NH+]6CCCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281507 562850069 /nfs/dbraw/zinc/85/00/69/562850069.db2.gz OZVIIKYJLNXGSP-UHFFFAOYSA-N 1 0 649.722 5.359 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN6CCC([NH+]7CCCC7)CC6)cc5)c4)CC3)cn21 ZINC000167218761 562850654 /nfs/dbraw/zinc/85/06/54/562850654.db2.gz MPZREFQMQSSBPR-HJWAMQHWSA-N 1 0 729.901 7.167 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[N@@H+]6CCCOCC6)cc5)c4)CC3)cn21 ZINC000167575712 562850971 /nfs/dbraw/zinc/85/09/71/562850971.db2.gz NVWPLACNJIFCAK-MEKGRNQZSA-N 1 0 676.793 6.329 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 ZINC000167964442 562851190 /nfs/dbraw/zinc/85/11/90/562851190.db2.gz OBGIUBNIGRGTBL-FWESQMGGSA-N 1 0 524.709 5.078 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5C[NH+](C)C)c4)CC3)cn21 ZINC000168013613 562851225 /nfs/dbraw/zinc/85/12/25/562851225.db2.gz KGEIAZQIRCWTQH-MKPDMIMOSA-N 1 0 636.728 5.874 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290861 562851811 /nfs/dbraw/zinc/85/18/11/562851811.db2.gz KIMKESVEZODZRF-VWNXMTODSA-N 1 0 526.690 6.012 1 0 KKAFRO COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c1 ZINC000169291664 562851942 /nfs/dbraw/zinc/85/19/42/562851942.db2.gz JWRIEQXHORQLBO-CWHDFZJVSA-N 1 0 508.706 6.269 1 0 KKAFRO C/C=C1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[N@@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851980 /nfs/dbraw/zinc/85/19/80/562851980.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 1 0 586.780 5.061 1 0 KKAFRO CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000169292127 562851989 /nfs/dbraw/zinc/85/19/89/562851989.db2.gz XFOARTFWCZZTDK-WXHXINMQSA-N 1 0 536.760 7.048 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169295946 562852434 /nfs/dbraw/zinc/85/24/34/562852434.db2.gz XACYZNUBDRDHNM-IZZNHLLZSA-N 1 0 548.609 5.977 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302337 562853056 /nfs/dbraw/zinc/85/30/56/562853056.db2.gz GYRFRFOKLUQHEH-BHYNYORESA-N 1 0 680.330 7.617 1 0 KKAFRO Brc1ccc2nc(-c3ccc(C[NH+]4CCC5(CNc6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000169303460 562853211 /nfs/dbraw/zinc/85/32/11/562853211.db2.gz ZAYDEHXHLVKNBW-UHFFFAOYSA-N 1 0 561.527 7.686 3 0 KKAFRO Cc1ccccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC[C@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306854 562853634 /nfs/dbraw/zinc/85/36/34/562853634.db2.gz IIXUBHOQXODODU-VSACWKETSA-N 1 0 549.158 7.519 1 0 KKAFRO CN(C)C(=O)NCCCN(C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccc(F)cc2)N1c1ccc(-c2ccccc2)cc1 ZINC000169307071 562853699 /nfs/dbraw/zinc/85/36/99/562853699.db2.gz UCEDESPOEVHPGY-XIFFEERXSA-N 1 0 606.746 6.341 1 0 KKAFRO CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000169311333 562855152 /nfs/dbraw/zinc/85/51/52/562855152.db2.gz GTUOWTDQBSZCDW-UHFFFAOYSA-N 1 0 551.946 6.182 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC/C=C/c2cccc3cnccc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000169318357 562856077 /nfs/dbraw/zinc/85/60/77/562856077.db2.gz OLKVTXLHFCLBRH-WGCZEJCWSA-N 1 0 765.945 5.110 1 0 KKAFRO COc1ccc(/C=C/c2cc(C(C)(C)C)c(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c2)cc1Br ZINC000169318855 562856125 /nfs/dbraw/zinc/85/61/25/562856125.db2.gz HSRLNQOAWSUWKN-NEQMZLFVSA-N 1 0 532.563 6.961 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322869 562856879 /nfs/dbraw/zinc/85/68/79/562856879.db2.gz BBJHCVZDXGBOFA-UHFFFAOYSA-N 1 0 654.299 8.816 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)NCC[NH+](C)C)C(C)C ZINC000169323168 562856933 /nfs/dbraw/zinc/85/69/33/562856933.db2.gz AYLQFSBXZTZHLQ-CIOKFHMQSA-N 1 0 711.956 5.016 1 0 KKAFRO CN(CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323978 562857223 /nfs/dbraw/zinc/85/72/23/562857223.db2.gz ZOCJVKXBNHCCQK-MUUNZHRXSA-N 1 0 629.636 7.016 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169324458 562857349 /nfs/dbraw/zinc/85/73/49/562857349.db2.gz NJXPEKXGZUMZGA-UHFFFAOYSA-N 1 0 584.164 6.866 1 0 KKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000169325043 562857567 /nfs/dbraw/zinc/85/75/67/562857567.db2.gz HZLFFNCLTRVYJG-GNVCQSRGSA-N 1 0 504.781 5.029 1 0 in-man KKAFRO O=C(Nc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)sc2c1)C1CCCC1 ZINC000169327469 562858114 /nfs/dbraw/zinc/85/81/14/562858114.db2.gz VBQDRKUGROBZJS-RPBOFIJWSA-N 1 0 526.706 6.865 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4cccc5cccnc54)C3)cc2s1)C1CCCC1 ZINC000169327463 562858115 /nfs/dbraw/zinc/85/81/15/562858115.db2.gz GKOMNJDVKPFVOW-GGAORHGYSA-N 1 0 527.694 6.260 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@H]4CNc5ccccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327451 562858128 /nfs/dbraw/zinc/85/81/28/562858128.db2.gz GTGCKVXMCGSQQS-PMOQBDJRSA-N 1 0 531.726 5.796 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1c(Cl)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc21 ZINC000169333442 562859306 /nfs/dbraw/zinc/85/93/06/562859306.db2.gz RVCVJWOVJZTLJZ-NRFANRHFSA-N 1 0 514.324 8.451 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c1cc(OC)cc2C(F)(F)F ZINC000169333411 562859318 /nfs/dbraw/zinc/85/93/18/562859318.db2.gz KLZDGZGAIAMGJY-VWLOTQADSA-N 1 0 509.012 7.518 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc21 ZINC000169333839 562859373 /nfs/dbraw/zinc/85/93/73/562859373.db2.gz ONIKEVLGDDELNH-GDLZYMKVSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169334580 562859516 /nfs/dbraw/zinc/85/95/16/562859516.db2.gz IAMUJAMDHJPCAY-UDNSYERLSA-N 1 0 503.558 7.945 1 0 KKAFRO O[C@@H](C[NH2+]C1CCCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335328 562859623 /nfs/dbraw/zinc/85/96/23/562859623.db2.gz NXPIPPMAWHRNFJ-VWLOTQADSA-N 1 0 508.506 7.409 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335773 562859702 /nfs/dbraw/zinc/85/97/02/562859702.db2.gz TWOXPTJBUITKMA-MHZLTWQESA-N 1 0 505.917 8.311 1 0 KKAFRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335760 562859709 /nfs/dbraw/zinc/85/97/09/562859709.db2.gz CPGOGJLJZHZUAI-QHCPKHFHSA-N 1 0 504.266 6.316 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169340854 562860661 /nfs/dbraw/zinc/86/06/61/562860661.db2.gz LHFVOBAHPLCIKW-VWLOTQADSA-N 1 0 527.974 6.509 3 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343516 562861174 /nfs/dbraw/zinc/86/11/74/562861174.db2.gz QXBBLTVHGIMTJE-QEZSNJNGSA-N 1 0 699.814 8.614 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3ccc(-c4ccccc4)nn3)c3c2c(Cl)ccc3O)CC1 ZINC000169347480 562861985 /nfs/dbraw/zinc/86/19/85/562861985.db2.gz HHZQQMPHZMXNOW-UHFFFAOYSA-N 1 0 554.138 7.778 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccc(C(F)(F)F)cc4)s3)c3c2c(C(F)(F)F)ccc3O)CC1 ZINC000169347483 562861988 /nfs/dbraw/zinc/86/19/88/562861988.db2.gz PXIUTJGVFPIVCQ-UHFFFAOYSA-N 1 0 661.716 9.223 1 0 KKAFRO COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348464 562862248 /nfs/dbraw/zinc/86/22/48/562862248.db2.gz CUMOJFMXBRIZKB-DHUJRADRSA-N 1 0 676.814 5.225 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350404 562862829 /nfs/dbraw/zinc/86/28/29/562862829.db2.gz OHOIQYVRPXKLSA-UHFFFAOYSA-N 1 0 670.717 5.437 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(=O)cc2C)cc1F ZINC000169350706 562862922 /nfs/dbraw/zinc/86/29/22/562862922.db2.gz GBUGDGGIILOEGB-UHFFFAOYSA-N 1 0 659.665 6.424 1 0 KKAFRO CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(c7cc[nH+]cc7)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000169352845 562863279 /nfs/dbraw/zinc/86/32/79/562863279.db2.gz VQRJMJSKWYMBDP-UHFFFAOYSA-N 1 0 515.621 5.894 1 0 KKAFRO c1ccc(-c2nc3ccccc3n2[C@H](COc2ccc(-c3nc4ccccc4n3Cc3cccnc3)cc2)C2CC[NH2+]CC2)cc1 ZINC000169353012 562863345 /nfs/dbraw/zinc/86/33/45/562863345.db2.gz CPJXIJQNXDZMAD-DIPNUNPCSA-N 1 0 604.758 7.783 1 0 KKAFRO CCc1nc2ccccc2n1[C@H](COC(=O)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000169353295 562863467 /nfs/dbraw/zinc/86/34/67/562863467.db2.gz PESOONCSQRAINH-WJOKGBTCSA-N 1 0 596.801 6.059 1 0 KKAFRO C[C@H](O)[C@@H](CC[N@@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169354751 562863679 /nfs/dbraw/zinc/86/36/79/562863679.db2.gz LRBSYXWKXPQNJU-HBBOOPDASA-N 1 0 554.575 6.034 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000169364901 562864413 /nfs/dbraw/zinc/86/44/13/562864413.db2.gz PVVAQUKXSCGSNX-HEVXJQBOSA-N 1 0 576.625 7.596 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695150 562865748 /nfs/dbraw/zinc/86/57/48/562865748.db2.gz GHSAQFBEVBKLAC-RPBOFIJWSA-N 1 0 504.652 5.244 1 0 KKAFRO CC(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697645 562866498 /nfs/dbraw/zinc/86/64/98/562866498.db2.gz AWSSGFVYCHJQAJ-UHFFFAOYSA-N 1 0 586.744 5.374 1 0 KKAFRO CCC(=O)N[C@@H](C)c1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698636 562867419 /nfs/dbraw/zinc/86/74/19/562867419.db2.gz WNVRWVQIFDEZCR-NRFANRHFSA-N 1 0 589.766 5.155 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700269 562867708 /nfs/dbraw/zinc/86/77/08/562867708.db2.gz QQOSBFYZJBKRMS-DJUSMVAGSA-N 1 0 560.497 5.201 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000169701281 562868007 /nfs/dbraw/zinc/86/80/07/562868007.db2.gz FXJNQJYEWRFHCH-LUKWVAJMSA-N 1 0 559.854 6.107 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701411 562868034 /nfs/dbraw/zinc/86/80/34/562868034.db2.gz SJAWWEKCOBDMOT-NZVKTDFMSA-N 1 0 562.513 5.303 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(F)cc1Cl)CC2 ZINC000169702248 562868267 /nfs/dbraw/zinc/86/82/67/562868267.db2.gz HCWWZYASFRCPGC-UHFFFAOYSA-N 1 0 549.050 5.662 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702379 562868342 /nfs/dbraw/zinc/86/83/42/562868342.db2.gz GTPOHQOIKVIZTP-UHFFFAOYSA-N 1 0 584.124 5.405 1 0 KKAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CC[NH2+]CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703491 562868797 /nfs/dbraw/zinc/86/87/97/562868797.db2.gz SSVOZKBTSGUHRQ-UHFFFAOYSA-N 1 0 505.626 5.022 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(=[NH+]CC2CC2)N[C@H]1c1ccccc1C(F)(F)F ZINC000169704469 562868952 /nfs/dbraw/zinc/86/89/52/562868952.db2.gz VPQZSWBHRDFKJF-QFIPXVFZSA-N 1 0 525.493 6.084 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000169704522 562869020 /nfs/dbraw/zinc/86/90/20/562869020.db2.gz CRTYOKBEJIDVDM-SANMLTNESA-N 1 0 571.983 6.237 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000169704524 562869021 /nfs/dbraw/zinc/86/90/21/562869021.db2.gz CDCXLHNEFJFNIK-SANMLTNESA-N 1 0 558.000 6.517 3 0 KKAFRO Cc1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169705879 562869752 /nfs/dbraw/zinc/86/97/52/562869752.db2.gz IFKXVQSFFCJNDF-UHFFFAOYSA-N 1 0 515.661 6.237 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](CCCF)CC5)cc4)c3)c(OC)cc21 ZINC000169711492 562870930 /nfs/dbraw/zinc/87/09/30/562870930.db2.gz WDKIHRFYQQYDJC-UHFFFAOYSA-N 1 0 559.642 5.816 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](CC)CC3)cc2)c1 ZINC000169711506 562870975 /nfs/dbraw/zinc/87/09/75/562870975.db2.gz SGEBPNXKQZWNNU-UHFFFAOYSA-N 1 0 541.652 5.866 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711511 562870988 /nfs/dbraw/zinc/87/09/88/562870988.db2.gz PVPYYKGOLJMILD-UHFFFAOYSA-N 1 0 557.651 5.103 1 0 KKAFRO O=c1oc2c(Cl)c(OCCCC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc2c2c1CCC2 ZINC000199507777 562873011 /nfs/dbraw/zinc/87/30/11/562873011.db2.gz QTBDNKYGSAPFRG-UHFFFAOYSA-N 1 0 510.059 5.526 1 0 KKAFRO COc1cccc2c1OCC[C@@]21C[NH2+]C[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(F)(F)C1 ZINC000200522796 562873361 /nfs/dbraw/zinc/87/33/61/562873361.db2.gz QDJWLSPATDJTJC-DYLANVRFSA-N 1 0 524.652 5.535 1 0 KKAFRO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000201956326 562873595 /nfs/dbraw/zinc/87/35/95/562873595.db2.gz NEFWYBQTGGELJS-PFFFZIHFSA-N 1 0 623.823 5.516 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000202733013 562873843 /nfs/dbraw/zinc/87/38/43/562873843.db2.gz AAXNFMPKDBJFBY-LEAFIULHSA-N 1 0 577.578 5.163 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000202735824 562873915 /nfs/dbraw/zinc/87/39/15/562873915.db2.gz ZBSDELZYHVIJTD-LEAFIULHSA-N 1 0 551.580 5.923 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@@H]([N@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422872 562874466 /nfs/dbraw/zinc/87/44/66/562874466.db2.gz VVYWQZGWGMFFKQ-WXVAWEFUSA-N 1 0 544.704 5.051 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cn(C)nc4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430351 562874523 /nfs/dbraw/zinc/87/45/23/562874523.db2.gz GNPHQNSDIUTJNI-QFIPXVFZSA-N 1 0 514.678 5.079 1 0 KKAFRO Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC([NH+]7CCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204936625 562874608 /nfs/dbraw/zinc/87/46/08/562874608.db2.gz IFBRUUOIKYNFQU-UHFFFAOYSA-N 1 0 528.661 5.033 1 0 KKAFRO CC[NH2+]Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000205042820 562874876 /nfs/dbraw/zinc/87/48/76/562874876.db2.gz VRRBZWNVOSJGLI-JOCHJYFZSA-N 1 0 538.570 5.174 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)c(NC3CCC3)n2n1 ZINC000205492259 562875477 /nfs/dbraw/zinc/87/54/77/562875477.db2.gz YYHDAVACMYFRID-UHFFFAOYSA-N 1 0 568.689 5.511 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000205592247 562875575 /nfs/dbraw/zinc/87/55/75/562875575.db2.gz KMMFIXOTKGBTSZ-UHFFFAOYSA-N 1 0 597.804 7.595 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc12 ZINC000205597057 562875582 /nfs/dbraw/zinc/87/55/82/562875582.db2.gz RISDMIZNEKTMBT-UHFFFAOYSA-N 1 0 520.033 5.127 1 0 KKAFRO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C4CC[NH+](C)CC4)CC3)nc2)cc(N(CC)C2CCOCC2)c1C ZINC000205713511 562875742 /nfs/dbraw/zinc/87/57/42/562875742.db2.gz NWQWVNMSRQPVFF-UHFFFAOYSA-N 1 0 683.942 5.158 1 0 KKAFRO Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000206214173 562876427 /nfs/dbraw/zinc/87/64/27/562876427.db2.gz CEINQDWSZHAZSK-JOCHJYFZSA-N 1 0 582.671 6.093 1 0 KKAFRO CC(C)[C@H]([NH2+]CCC1OCC(C)(C)CO1)C(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000209631329 562876895 /nfs/dbraw/zinc/87/68/95/562876895.db2.gz WZNWAPHFFZMFIA-NZTUAYMSSA-N 1 0 781.003 7.204 1 0 KKAFRO CC1CCC(Cn2c(N3CCO[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642498 562876917 /nfs/dbraw/zinc/87/69/17/562876917.db2.gz PDFUVLMSDRPILV-MMJGTUOCSA-N 1 0 655.203 5.796 1 0 KKAFRO Cc1ncsc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000219072726 562877965 /nfs/dbraw/zinc/87/79/65/562877965.db2.gz RWBFFGLASJRBLC-YTTGMZPUSA-N 1 0 599.845 8.096 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000219352865 562878084 /nfs/dbraw/zinc/87/80/84/562878084.db2.gz TVOHPWPOEPGDRX-UHFFFAOYSA-N 1 0 557.094 6.353 1 0 KKAFRO COc1ccc(C(F)(F)F)cc1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223687634 562880170 /nfs/dbraw/zinc/88/01/70/562880170.db2.gz YALHQTLZGQRBQK-NRFANRHFSA-N 1 0 549.622 6.738 1 0 KKAFRO CNc1ccc(-c2c3nc(-c4ccncc4)nc(NC[C@@H]([NH3+])Cc4ccccc4)c3sc2C(C)(C)C)cc1 ZINC000223677177 562880173 /nfs/dbraw/zinc/88/01/73/562880173.db2.gz ZDUHEFRORIWXJS-QHCPKHFHSA-N 1 0 522.722 6.741 1 0 KKAFRO COc1cccc(OCC(C)C)c1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223683910 562880177 /nfs/dbraw/zinc/88/01/77/562880177.db2.gz QDUAQDHVYAWNHG-DEOSSOPVSA-N 1 0 553.732 6.754 1 0 KKAFRO C[NH+]1CCC(c2cc3c(nccc3-c3nc(NC[C@H]4CCN(C(=O)OC(C)(C)C)C4)ccc3Cl)[nH]2)CC1 ZINC000226072945 562880912 /nfs/dbraw/zinc/88/09/12/562880912.db2.gz BTFNSJFKHYPZFL-GOSISDBHSA-N 1 0 525.097 5.756 1 0 KKAFRO O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CCOC3)CC2)CC1 ZINC000253638628 562882484 /nfs/dbraw/zinc/88/24/84/562882484.db2.gz MVXMOYOFQUJRHY-VWYPKUQYSA-N 1 0 594.640 7.381 1 0 KKAFRO CS(=O)(=O)N1CCC[C@@H]([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000253684596 562882849 /nfs/dbraw/zinc/88/28/49/562882849.db2.gz MTVVJDHGBGCJKF-SQHAQQRYSA-N 1 0 657.721 6.079 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4NC(C)=O)cc3)ccc2OC)c1 ZINC000299826274 562883833 /nfs/dbraw/zinc/88/38/33/562883833.db2.gz FRZMIQPZPASLSV-UHFFFAOYSA-N 1 0 579.697 6.722 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cccc(-c3cccc(OC4CC[NH+](C)CC4)c3)c2)ccc1OC(C)=O ZINC000299827285 562884112 /nfs/dbraw/zinc/88/41/12/562884112.db2.gz GBWGUDYPJZQMRP-UHFFFAOYSA-N 1 0 512.650 6.513 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccc(-c3nc4c(Cl)c(Cl)sc4c(NCCC[NH+](C)C)n3)cc2)cc1 ZINC000299828851 562884638 /nfs/dbraw/zinc/88/46/38/562884638.db2.gz JERGBJWZPVYYBT-UHFFFAOYSA-N 1 0 529.497 6.981 1 0 KKAFRO O=C(CN(CC(=O)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000299829868 562885007 /nfs/dbraw/zinc/88/50/07/562885007.db2.gz MRUDJHOQXKZFPR-UHFFFAOYSA-N 1 0 567.517 5.347 1 0 KKAFRO CN(CCc1ccccc1)C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299832110 562885785 /nfs/dbraw/zinc/88/57/85/562885785.db2.gz RRGGGIQHTKRDSQ-UHFFFAOYSA-N 1 0 583.560 5.505 1 0 KKAFRO CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)C(=O)NCC[NH+](C)C)sc1C ZINC000299832568 562885879 /nfs/dbraw/zinc/88/58/79/562885879.db2.gz JVBABXCWGNKUHQ-XMMPIXPASA-N 1 0 546.659 5.109 1 0 KKAFRO CN(C(=O)CN(CC(=O)N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299833624 562886223 /nfs/dbraw/zinc/88/62/23/562886223.db2.gz VCTDLPFXKKOYRY-RUZDIDTESA-N 1 0 581.544 5.086 1 0 KKAFRO C[N@H+](CCCNc1ccnc2cc(Cl)ccc21)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1 ZINC000299834046 562886380 /nfs/dbraw/zinc/88/63/80/562886380.db2.gz BASQNHWJHDNLLO-UHFFFAOYSA-N 1 0 503.046 5.898 1 0 KKAFRO C[NH+](C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299834612 562886496 /nfs/dbraw/zinc/88/64/96/562886496.db2.gz UUHWJNHCGPPOES-UHFFFAOYSA-N 1 0 584.360 7.980 1 0 KKAFRO COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CC[NH+](C)CC4)cc3-c3cccc(F)c3)ccc2OC)c1 ZINC000299834778 562886556 /nfs/dbraw/zinc/88/65/56/562886556.db2.gz CHWFFKWVJRAWJW-UHFFFAOYSA-N 1 0 568.689 6.622 1 0 KKAFRO CC[NH+](CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299835486 562886890 /nfs/dbraw/zinc/88/68/90/562886890.db2.gz WEUVLHPIDSSDKD-UHFFFAOYSA-N 1 0 563.942 7.716 1 0 KKAFRO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836393 562887128 /nfs/dbraw/zinc/88/71/28/562887128.db2.gz ZQMJKQGLBIJIRP-UUWRZZSWSA-N 1 0 575.797 7.185 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)c(N)c4)cc3)ccc2OC)c1 ZINC000299836460 562887167 /nfs/dbraw/zinc/88/71/67/562887167.db2.gz NHKHKWNQHBJJKS-UHFFFAOYSA-N 1 0 537.660 6.345 1 0 KKAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)ccc1C ZINC000299836477 562887192 /nfs/dbraw/zinc/88/71/92/562887192.db2.gz NITWYWFBQXEHJU-NDEPHWFRSA-N 1 0 539.642 5.652 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000299837838 562887667 /nfs/dbraw/zinc/88/76/67/562887667.db2.gz RYSYVUSXNRKLCL-HSZRJFAPSA-N 1 0 524.669 6.338 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+](C)C3CCCCC3)cc2)c(O)cc1O ZINC000299838613 562887883 /nfs/dbraw/zinc/88/78/83/562887883.db2.gz VOHTVEKGONPVHC-UHFFFAOYSA-N 1 0 503.643 6.656 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299838733 562887923 /nfs/dbraw/zinc/88/79/23/562887923.db2.gz NOXLMTSCXSSOFL-UHFFFAOYSA-N 1 0 659.718 6.991 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCCC[NH+](C)C)cc1Cl ZINC000299839336 562888148 /nfs/dbraw/zinc/88/81/48/562888148.db2.gz SIBIDHDLSNTISO-UHFFFAOYSA-N 1 0 511.466 5.426 1 0 KKAFRO CC1CC[NH+](CCCOc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)NCc3ccccc3)cc2)CC1 ZINC000299839499 562888225 /nfs/dbraw/zinc/88/82/25/562888225.db2.gz YKPYZRLLGKAMJE-UHFFFAOYSA-N 1 0 524.669 6.196 1 0 KKAFRO CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCC(=O)N1CCN(C)CC1 ZINC000299841263 562888803 /nfs/dbraw/zinc/88/88/03/562888803.db2.gz YVSBBNJJGIPDHM-NTCAYCPXSA-N 1 0 782.342 5.967 1 0 KKAFRO COc1cc(OC)cc(OCc2ccc(CC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1 ZINC000299841351 562888824 /nfs/dbraw/zinc/88/88/24/562888824.db2.gz ZIZYDSXUKDCJRL-UHFFFAOYSA-N 1 0 501.454 5.954 1 0 KKAFRO [NH3+][C@H]1CC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 ZINC000299841294 562888846 /nfs/dbraw/zinc/88/88/46/562888846.db2.gz ZADRUEBKBUVLOM-OYRHEFFESA-N 1 0 542.647 6.786 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)[C@@H]2Cc1cccnc1 ZINC000299847368 562889881 /nfs/dbraw/zinc/88/98/81/562889881.db2.gz OMXFBWUCMLOHPQ-ZZFNIVMHSA-N 1 0 533.738 5.106 1 0 KKAFRO COCCC[NH+]1CCC([C@H]2CC[C@H](n3nc(-c4ccc5nc(Cc6ccccc6Cl)[nH]c5c4)c4c3ncnc4N)CC2)CC1 ZINC000299849160 562890450 /nfs/dbraw/zinc/89/04/50/562890450.db2.gz ZRTDGPKHIJCQNA-PGWJBFNOSA-N 1 0 613.210 6.676 1 0 KKAFRO CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)[C@@H]1CCC[NH2+]1)C4(C)C)C(C)(C)O ZINC000299849757 562890538 /nfs/dbraw/zinc/89/05/38/562890538.db2.gz TYHRHGKEKZZMKD-WPPBNBNHSA-N 1 0 629.879 5.166 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299855232 562891617 /nfs/dbraw/zinc/89/16/17/562891617.db2.gz ATFSKIZVJOMGAR-MGBGTMOVSA-N 1 0 529.725 6.617 1 0 KKAFRO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299855430 562891656 /nfs/dbraw/zinc/89/16/56/562891656.db2.gz FBQCJIVBLCYBPN-UHFFFAOYSA-N 1 0 543.042 5.972 1 0 KKAFRO COc1cc2c(cc1Br)CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299858327 562892446 /nfs/dbraw/zinc/89/24/46/562892446.db2.gz GIZBLHTXSSIYHP-ATILKMQGSA-N 1 0 579.501 6.833 1 0 KKAFRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 ZINC000299859150 562892623 /nfs/dbraw/zinc/89/26/23/562892623.db2.gz HRFPOOBZYGYGFI-FHQPBSEISA-N 1 0 607.555 7.784 1 0 KKAFRO O=C(CCCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299860029 562892873 /nfs/dbraw/zinc/89/28/73/562892873.db2.gz GIOPGAVNQXYTEM-BHVANESWSA-N 1 0 592.828 6.392 1 0 KKAFRO COc1cc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 ZINC000299860647 562892985 /nfs/dbraw/zinc/89/29/85/562892985.db2.gz JMNLEMACSJXEOI-CDTKPYNKSA-N 1 0 577.691 7.133 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCC[NH2+]C34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299861915 562893435 /nfs/dbraw/zinc/89/34/35/562893435.db2.gz MDOCSDHCKMGQSG-LNDFHDTHSA-N 1 0 663.771 6.768 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc1)CC2 ZINC000299862994 562893720 /nfs/dbraw/zinc/89/37/20/562893720.db2.gz OHIVLDZJOUAGMQ-LJAQVGFWSA-N 1 0 663.796 7.088 1 0 KKAFRO CCOC(=O)[C@@H]1CCCC[C@@H]1[N@H+](C)CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000299863702 562893917 /nfs/dbraw/zinc/89/39/17/562893917.db2.gz LKFZQQPVUYHFIA-PKTZIBPZSA-N 1 0 531.537 6.884 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2C[C@H](C)c3cc(Br)ccc32)C1 ZINC000299867294 562894832 /nfs/dbraw/zinc/89/48/32/562894832.db2.gz XVLPHLABYJZKGZ-JGFCEZIUSA-N 1 0 563.502 7.386 1 0 KKAFRO CCN1c2ccccc2[C@]2([NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867658 562894904 /nfs/dbraw/zinc/89/49/04/562894904.db2.gz QMNWXKSGOPPJNR-OOSFPBDASA-N 1 0 601.747 5.587 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(c3ccccc3)CC2)c(C(C)C)c1 ZINC000299869035 562895219 /nfs/dbraw/zinc/89/52/19/562895219.db2.gz TULVKTALXJSDBV-YTTGMZPUSA-N 1 0 617.860 5.579 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000299869317 562895334 /nfs/dbraw/zinc/89/53/34/562895334.db2.gz UJLPADSPYHSTOF-JQAQQEILSA-N 1 0 505.684 5.235 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1 ZINC000299871645 562895761 /nfs/dbraw/zinc/89/57/61/562895761.db2.gz YYUSYSDMZDYQHY-UHFFFAOYSA-N 1 0 557.716 5.802 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@@H]3CC[N@@H+](C)C3)n2)c1 ZINC000299872073 562895837 /nfs/dbraw/zinc/89/58/37/562895837.db2.gz ZVWGEJGFGJKETG-HSZRJFAPSA-N 1 0 598.647 5.132 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCC[NH+]2CCOCC2)COC1=O ZINC000473087666 562897230 /nfs/dbraw/zinc/89/72/30/562897230.db2.gz LKCYQANLXYZXJE-DEICMYPCSA-N 1 0 723.816 5.356 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(C(C)C)cc1C1CC[NH+](C)CC1 ZINC000473092278 562897746 /nfs/dbraw/zinc/89/77/46/562897746.db2.gz SFNAHBYPTVZWTD-UHFFFAOYSA-N 1 0 560.168 5.196 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094812 562897821 /nfs/dbraw/zinc/89/78/21/562897821.db2.gz WHVXVHKHGIXKRO-PMERELPUSA-N 1 0 587.761 5.696 1 0 KKAFRO Cc1c(CNC(=O)c2ccc(C(C)(C)C)cc2)c2[n+](c(C)c1CNC(=O)c1ccc(C(C)(C)C)cc1)CCC2 ZINC000473106831 562898286 /nfs/dbraw/zinc/89/82/86/562898286.db2.gz XTZNBULWZUFCFF-UHFFFAOYSA-O 1 0 526.745 5.992 1 0 KKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CN5CC[NH2+]CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000473111442 562898598 /nfs/dbraw/zinc/89/85/98/562898598.db2.gz BDRMQRJPBDKZSG-RORUDZPBSA-N 1 0 516.767 5.052 1 0 KKAFRO CC[N@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473114026 562898854 /nfs/dbraw/zinc/89/88/54/562898854.db2.gz LJSZZRNHEBXEOA-UHFFFAOYSA-N 1 0 575.702 6.956 1 0 KKAFRO CC[N@H+](CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473114723 562899001 /nfs/dbraw/zinc/89/90/01/562899001.db2.gz PGLPKZNOTXSODX-UHFFFAOYSA-N 1 0 503.595 5.777 1 0 KKAFRO COc1ccccc1CN(C)CCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473116236 562899122 /nfs/dbraw/zinc/89/91/22/562899122.db2.gz VVQLRZSFUITXQD-UHFFFAOYSA-N 1 0 505.567 5.005 1 0 KKAFRO CC[N@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117294 562899161 /nfs/dbraw/zinc/89/91/61/562899161.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 1 0 561.675 6.653 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+](C1CC1)C1CC1 ZINC000473127238 562899807 /nfs/dbraw/zinc/89/98/07/562899807.db2.gz VGQBOXGKYXVVED-NSCUHMNNSA-N 1 0 526.012 5.313 1 0 KKAFRO CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)C[C@@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129474 562900026 /nfs/dbraw/zinc/90/00/26/562900026.db2.gz HCEKERAQUTWNGZ-QRWXSKHGSA-N 1 0 599.791 7.996 1 0 KKAFRO CO[C@H]1C[C@@](CC[N@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473129563 562900038 /nfs/dbraw/zinc/90/00/38/562900038.db2.gz HQBVENHUOCSWIS-DEDOGFMKSA-N 1 0 523.693 6.426 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)cc(C)cc3C)cc1)CC2 ZINC000473135522 562900813 /nfs/dbraw/zinc/90/08/13/562900813.db2.gz JCSXIYAZSLTKKK-UHFFFAOYSA-N 1 0 613.780 6.283 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136638 562901104 /nfs/dbraw/zinc/90/11/04/562901104.db2.gz TWRGSFQMYKPGBO-VMVXDNPCSA-N 1 0 536.701 6.780 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C(C)C)C(C)C)ccc1OC ZINC000473145604 562901334 /nfs/dbraw/zinc/90/13/34/562901334.db2.gz BKUZFJVRUGXGSA-MCEBTLFFSA-N 1 0 633.314 6.704 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159096 562902680 /nfs/dbraw/zinc/90/26/80/562902680.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 1 0 550.099 5.321 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473182561 562903461 /nfs/dbraw/zinc/90/34/61/562903461.db2.gz PYEKSCSBXYVZAI-UEDWGHLCSA-N 1 0 508.062 5.816 1 0 KKAFRO O=C([O-])C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215197 562903913 /nfs/dbraw/zinc/90/39/13/562903913.db2.gz BULRYAVAAXWJIN-IWQSBPKASA-N 1 0 504.719 5.827 1 0 KKAFRO O=C([O-])CC[NH+]1CC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215527 562904121 /nfs/dbraw/zinc/90/41/21/562904121.db2.gz XOOYTDBKHPSAED-KEQUZKIMSA-N 1 0 504.719 5.827 1 0 KKAFRO Cn1ccnc1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236472 562904638 /nfs/dbraw/zinc/90/46/38/562904638.db2.gz KNVZCDCWXGRYIU-QIPLTTJJSA-N 1 0 570.826 6.130 1 0 KKAFRO CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244345 562904853 /nfs/dbraw/zinc/90/48/53/562904853.db2.gz IJPSUGRNDZEQPA-UEOVJWFCSA-N 1 0 613.847 5.841 1 0 KKAFRO CCN(c1cc(-c2c(C)noc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244642 562904880 /nfs/dbraw/zinc/90/48/80/562904880.db2.gz PEBCQIHYGVTXHS-SOAUALDESA-N 1 0 533.717 5.613 1 0 KKAFRO CCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603337 562905231 /nfs/dbraw/zinc/90/52/31/562905231.db2.gz BVVJNIXKEAOEEH-GDLZYMKVSA-N 1 0 515.698 5.764 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCCCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474607958 562905455 /nfs/dbraw/zinc/90/54/55/562905455.db2.gz KRPXDFJBGKVXTA-MGBGTMOVSA-N 1 0 563.742 6.207 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCCCCOc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608940 562905468 /nfs/dbraw/zinc/90/54/68/562905468.db2.gz MZWKPHIXSKOBGW-UUWRZZSWSA-N 1 0 593.768 6.433 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc5ccccc5n4)cc32)c1C ZINC000653665762 562905990 /nfs/dbraw/zinc/90/59/90/562905990.db2.gz KLNCYWCBGKQFGO-MOHJPFBDSA-N 1 0 507.638 5.411 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(-c5ccccc5)cn4)ccc32)c1C ZINC000653667565 562906043 /nfs/dbraw/zinc/90/60/43/562906043.db2.gz PJQKMMFVOOSSQZ-DIBXZPPDSA-N 1 0 533.676 5.925 1 0 KKAFRO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(NCC(=O)CO)nc5)c4)nc(C)n3)cc12 ZINC000653668915 562906100 /nfs/dbraw/zinc/90/61/00/562906100.db2.gz GSMHUJCNMZWLGJ-SFHVURJKSA-N 1 0 508.582 5.110 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccccc5c4)cc32)c1C ZINC000653681040 562906357 /nfs/dbraw/zinc/90/63/57/562906357.db2.gz OYHPSLYILZOCDC-UQQQWYQISA-N 1 0 507.638 5.411 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2C[C@@H]1C[NH+](C)C ZINC000653697862 562907164 /nfs/dbraw/zinc/90/71/64/562907164.db2.gz XMYRHJRDKOQLMO-XRHWURSXSA-N 1 0 517.467 5.760 1 0 KKAFRO Brc1ccc(-c2ncc(OCC3CC[NH2+]CC3)nc2-c2ccc(Br)cc2)cc1 ZINC000653698632 562907185 /nfs/dbraw/zinc/90/71/85/562907185.db2.gz OVUOVSPMCJKBJA-UHFFFAOYSA-N 1 0 503.238 5.714 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccccc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653704246 562907671 /nfs/dbraw/zinc/90/76/71/562907671.db2.gz ZZTCXHLONQGBNC-SSEXGKCCSA-N 1 0 591.200 5.502 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4cc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708063 562907950 /nfs/dbraw/zinc/90/79/50/562907950.db2.gz XIIDPSKSRFKLGE-UUWRZZSWSA-N 1 0 641.260 6.655 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc4ccccc4c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708040 562907964 /nfs/dbraw/zinc/90/79/64/562907964.db2.gz PGUPJMQJNPDQPV-UUWRZZSWSA-N 1 0 606.815 6.002 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(C)ccc2C[C@@H]1C[NH+](C)C ZINC000653712788 562908180 /nfs/dbraw/zinc/90/81/80/562908180.db2.gz LHQSEAXDOLWPPS-OIUQCLNLSA-N 1 0 531.494 6.068 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653723245 562908844 /nfs/dbraw/zinc/90/88/44/562908844.db2.gz BKMYJTORXVRSOY-UHFFFAOYSA-N 1 0 707.202 8.639 1 0 KKAFRO CC(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653725392 562909088 /nfs/dbraw/zinc/90/90/88/562909088.db2.gz QEVHCMBXNZLCDJ-UHFFFAOYSA-N 1 0 556.592 6.002 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@H]([NH2+]C2CC2)CC1 ZINC000653732521 562909502 /nfs/dbraw/zinc/90/95/02/562909502.db2.gz SHEWZWKNEYRLAO-MXVIHJGJSA-N 1 0 614.216 6.161 1 0 KKAFRO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc1)nc1ccccc12 ZINC000653737638 562909828 /nfs/dbraw/zinc/90/98/28/562909828.db2.gz NENCHQDYZZJJET-UHFFFAOYSA-N 1 0 633.756 7.558 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C ZINC000653755682 562910900 /nfs/dbraw/zinc/91/09/00/562910900.db2.gz NRMVNOHALPEPOV-IMRQLAEWSA-N 1 0 536.680 5.439 1 0 KKAFRO O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCCCCCCCC[NH+]3CCCC3)ccc12 ZINC000653762789 562911425 /nfs/dbraw/zinc/91/14/25/562911425.db2.gz MPSYEWGBSMKCBJ-UHFFFAOYSA-N 1 0 525.689 7.854 1 0 KKAFRO COc1ccc(CNc2nc(N3CC[NH+](C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1 ZINC000653771381 562911806 /nfs/dbraw/zinc/91/18/06/562911806.db2.gz ILXVEBRYSUWBAI-UHFFFAOYSA-N 1 0 526.084 5.935 1 0 KKAFRO O=c1cc(-c2cccc(OCc3ccccc3)c2)oc2cc(OCCCCCCCC[NH+]3CCCC3)ccc12 ZINC000653779515 562912071 /nfs/dbraw/zinc/91/20/71/562912071.db2.gz JGXYQVSBFBZTEI-UHFFFAOYSA-N 1 0 525.689 7.854 1 0 KKAFRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653780774 562912114 /nfs/dbraw/zinc/91/21/14/562912114.db2.gz NLSNSCBPWXRRPL-UHFFFAOYSA-N 1 0 506.532 6.632 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653783759 562912241 /nfs/dbraw/zinc/91/22/41/562912241.db2.gz NBAOYGOFUXATFS-VMPREFPWSA-N 1 0 530.490 5.014 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653785880 562912358 /nfs/dbraw/zinc/91/23/58/562912358.db2.gz HJZOPYYUOLSQPF-SZAHLOSFSA-N 1 0 515.681 5.713 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccccc1Br ZINC000653785888 562912376 /nfs/dbraw/zinc/91/23/76/562912376.db2.gz HQTRXMBWSZFJAY-LOYHVIPDSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653791414 562912686 /nfs/dbraw/zinc/91/26/86/562912686.db2.gz VLRNAGQGUPLUJY-YDAXCOIMSA-N 1 0 577.752 6.975 1 0 KKAFRO CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1ccc3c(c1)CCC[C@H]3CCC(=O)N1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000653791386 562912689 /nfs/dbraw/zinc/91/26/89/562912689.db2.gz PMADXNIXEGVGGP-LJAQVGFWSA-N 1 0 642.885 6.665 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653791415 562912692 /nfs/dbraw/zinc/91/26/92/562912692.db2.gz VLRNAGQGUPLUJY-ZESVVUHVSA-N 1 0 577.752 6.975 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653802014 562913448 /nfs/dbraw/zinc/91/34/48/562913448.db2.gz DKCHVCFUUQNLGO-XRSDMRJBSA-N 1 0 591.779 7.284 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653802012 562913455 /nfs/dbraw/zinc/91/34/55/562913455.db2.gz DKCHVCFUUQNLGO-IOLBBIBUSA-N 1 0 591.779 7.284 1 0 KKAFRO O=C(c1ccc2ccccc2c1)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1 ZINC000653802203 562913478 /nfs/dbraw/zinc/91/34/78/562913478.db2.gz LSWBWHSOGCCPBB-UHFFFAOYSA-N 1 0 513.563 6.761 1 0 KKAFRO C[C@@H](Oc1nc(N)nc2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834949 562914642 /nfs/dbraw/zinc/91/46/42/562914642.db2.gz FXFMWFKZLCRGPK-CYBMUJFWSA-N 1 0 501.393 5.586 1 0 KKAFRO C[NH+](C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)ccn1 ZINC000653841673 562914879 /nfs/dbraw/zinc/91/48/79/562914879.db2.gz VTDRAZNZQIPCGN-UHFFFAOYSA-N 1 0 563.943 6.149 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2F)ccn1 ZINC000653851575 562915551 /nfs/dbraw/zinc/91/55/51/562915551.db2.gz UNQBQYYKMKOOKG-UHFFFAOYSA-N 1 0 525.535 5.536 1 0 KKAFRO CC1(C)CCC(C)(C)c2cc(COc3ccc4cc(-c5noc([C@@H]6CCCN6C(N)=[NH2+])n5)ccc4c3)ccc21 ZINC000653865355 562916207 /nfs/dbraw/zinc/91/62/07/562916207.db2.gz PVBWQQGRVMMDEF-MHZLTWQESA-N 1 0 523.681 6.848 1 0 KKAFRO CC1(C)CCc2c([nH+]c3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCC(C)(C)C3)C1 ZINC000653869263 562916329 /nfs/dbraw/zinc/91/63/29/562916329.db2.gz QCGYZXYLGVAQNY-UHFFFAOYSA-N 1 0 603.682 9.048 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc21 ZINC000653872525 562916465 /nfs/dbraw/zinc/91/64/65/562916465.db2.gz RQVAKFTYFHCKSG-IOWSJCHKSA-N 1 0 533.672 5.378 1 0 KKAFRO Fc1ccc(-c2cn([C@H](C[NH+]3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874620 562916572 /nfs/dbraw/zinc/91/65/72/562916572.db2.gz PACAPUHORPYHJT-XMMPIXPASA-N 1 0 509.075 6.744 1 0 KKAFRO C[NH2+]CCNC(=O)c1oc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1C ZINC000653888006 562917065 /nfs/dbraw/zinc/91/70/65/562917065.db2.gz KALVQQLMUPHTSE-UHFFFAOYSA-N 1 0 546.476 5.393 1 0 KKAFRO NC(=[NH2+])N1CCC[C@H]1c1nc(-c2ccc3cc(OCC(=O)c4ccc(-c5ccccc5)cc4)ccc3c2)no1 ZINC000653887566 562917070 /nfs/dbraw/zinc/91/70/70/562917070.db2.gz QJWSIYLRKLHHRL-MHZLTWQESA-N 1 0 517.589 5.849 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653899414 562917488 /nfs/dbraw/zinc/91/74/88/562917488.db2.gz YXJKOQCWVMSGQU-UHFFFAOYSA-N 1 0 610.690 6.571 1 0 KKAFRO Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCC[NH+]5CCCCC5)cc43)cc2Cl)c1 ZINC000653900963 562917518 /nfs/dbraw/zinc/91/75/18/562917518.db2.gz XKKGXXXXAQKVRW-UHFFFAOYSA-N 1 0 565.118 6.517 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(Cl)cccc3Cl)nn2)cc1F ZINC000653915964 562917834 /nfs/dbraw/zinc/91/78/34/562917834.db2.gz LSYDIMHLGXNPPZ-UHFFFAOYSA-N 1 0 679.580 7.815 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653915957 562917840 /nfs/dbraw/zinc/91/78/40/562917840.db2.gz ICUHVVVPTPNHMX-UHFFFAOYSA-N 1 0 646.123 5.678 1 0 KKAFRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)N(C)CC4)cc1 ZINC000058548607 565115097 /nfs/dbraw/zinc/11/50/97/565115097.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 1 0 668.787 6.457 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532357 565137636 /nfs/dbraw/zinc/13/76/36/565137636.db2.gz FEXLIAQLTRVUJK-JASGKPDZSA-N 1 0 615.855 7.633 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532342 565137683 /nfs/dbraw/zinc/13/76/83/565137683.db2.gz PIDLOTLNRJBNFJ-DJIQQCKHSA-N 1 0 603.800 6.021 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532251 565137688 /nfs/dbraw/zinc/13/76/88/565137688.db2.gz BEADWTJFLIVDMB-CTDQSMPZSA-N 1 0 647.853 5.578 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)[NH2+]6)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567455 565142400 /nfs/dbraw/zinc/14/24/00/565142400.db2.gz AWUUCRDVMDMPOJ-KYPIDKDMSA-N 1 0 644.765 5.847 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@@H](c2cccc(CO)c2)C2CCCC2)cc1O ZINC000085568429 565143586 /nfs/dbraw/zinc/14/35/86/565143586.db2.gz KSXGVARUVQLNFJ-NXLXXTAESA-N 1 0 679.810 7.174 1 0 biogenic,in-vitro KKAFRO C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@H](c2cc(N)ncc2CC(=O)N2C[C@@H](C[NH2+]C)[C@@H]2CCC(C)C)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594626 565151900 /nfs/dbraw/zinc/15/19/00/565151900.db2.gz WFUQZSGTMSSTGS-LJFIELOASA-N 1 0 668.835 5.481 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C2C=C[C@H]3CC[C@H]([C@@H]2C3)[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595776 565154080 /nfs/dbraw/zinc/15/40/80/565154080.db2.gz ADXZVJXXKBSAMM-PHLIVLCESA-N 1 0 617.783 6.482 1 0 biogenic,in-vitro KKAFRO CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CC[NH2+]CC1 ZINC000085596734 565155813 /nfs/dbraw/zinc/15/58/13/565155813.db2.gz LGKMIHZIFNIYIE-VRGBJKTJSA-N 1 0 654.845 5.129 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2CC(C)C)c1 ZINC000085632256 565165917 /nfs/dbraw/zinc/16/59/17/565165917.db2.gz HJLRYZQRNPKACG-MMAPGKBZSA-N 1 0 643.801 5.600 1 0 biogenic,in-vitro KKAFRO COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648337 565169510 /nfs/dbraw/zinc/16/95/10/565169510.db2.gz QRDWMPVLZIOGCZ-QRMOXYPWSA-N 1 0 623.790 7.770 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@H]2CCC[C@@H](C4)[C@@H]21 ZINC000085531957 291920514 /nfs/dbraw/zinc/92/05/14/291920514.db2.gz VNWZZLVSJUMCDR-KFLYILFLSA-N 1 0 581.797 7.690 1 0 biogenic,in-vitro KKAFRO CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596837 291932022 /nfs/dbraw/zinc/93/20/22/291932022.db2.gz OQBIMCUTDGFXNF-LTXBTDFWSA-N 1 0 587.842 7.514 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCCCC2)c1)CO4 ZINC000085567430 291940635 /nfs/dbraw/zinc/94/06/35/291940635.db2.gz WOHWYPXTKIFLKP-MXRNECNHSA-N 1 0 752.905 6.636 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](CO)CCCCO)OC2=O)Cc1ccccc1 ZINC000085571306 291945573 /nfs/dbraw/zinc/94/55/73/291945573.db2.gz WTVPVBJBQWAWEE-UIPCNHIWSA-N 1 0 769.979 8.577 1 0 biogenic,in-vitro KKAFRO CNC(=[NH2+])Nc1cccc(CCCC[C@@H]2C=C[C@@](O)(CC(=O)CCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000085596164 291950864 /nfs/dbraw/zinc/95/08/64/291950864.db2.gz MVSJGUZRJBEEMU-RCRUUEGKSA-N 1 0 507.675 5.272 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCC3(CCCC3)CC2)c1)CO4 ZINC000085567408 519085883 /nfs/dbraw/zinc/08/58/83/519085883.db2.gz FFYVKJNSTOAQRX-SJWHPATQSA-N 1 0 806.997 7.807 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H]([NH2+]C)/C=C/[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](C)CO)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571307 519089007 /nfs/dbraw/zinc/08/90/07/519089007.db2.gz ARNKLYPFFPPKKR-IUWJTWRTSA-N 1 0 735.921 8.915 1 0 biogenic,in-vitro KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCC[NH+](C)C)cc1)c1ccccc1 ZINC000001537757 561676880 /nfs/dbraw/zinc/67/68/80/561676880.db2.gz ZQKGNQXYRKJVBC-DQSJHHFOSA-N 1 0 525.474 7.381 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccnc(C)c2)c1 ZINC000001912786 561680312 /nfs/dbraw/zinc/68/03/12/561680312.db2.gz MVSRUZQAFCXJHS-XNPSPRNGSA-N 1 0 576.829 7.770 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3n[nH]nc3c2)c1 ZINC000003943282 561689549 /nfs/dbraw/zinc/68/95/49/561689549.db2.gz ULSCNHRBLXYHIC-WUXOVTSDSA-N 1 0 602.827 7.337 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1 ZINC000003801039 561682517 /nfs/dbraw/zinc/68/25/17/561682517.db2.gz XDXADXHUOLHEOB-UHFFFAOYSA-N 1 0 529.574 6.767 1 0 KKAFRO NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3Cl)cc3c2cccc3O)c1 ZINC000003831872 561683557 /nfs/dbraw/zinc/68/35/57/561683557.db2.gz ATSROBXXNRWKDL-UHFFFAOYSA-N 1 0 501.801 5.569 1 0 KKAFRO CCCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922463 561685858 /nfs/dbraw/zinc/68/58/58/561685858.db2.gz RINLDGHJOYWYQL-UHFFFAOYSA-N 1 0 565.732 6.569 1 0 KKAFRO C[NH+](C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932385 561687777 /nfs/dbraw/zinc/68/77/77/561687777.db2.gz ZJEJBRMLBWRVFN-DEOSSOPVSA-N 1 0 555.563 6.167 1 0 KKAFRO CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003937997 561688774 /nfs/dbraw/zinc/68/87/74/561688774.db2.gz NJVFOFMHUJJIMB-UHFFFAOYSA-N 1 0 517.647 6.273 1 0 investigational KKAFRO Cc1nnc(-c2cscc2-c2ccc(CN3c4ccc5ccccc5c4CC[C@@H](NC(=O)CC(C)(C)[NH3+])C3=O)cc2)o1 ZINC000003946681 561690060 /nfs/dbraw/zinc/69/00/60/561690060.db2.gz GLXJOSCCGCOHBG-MUUNZHRXSA-N 1 0 579.726 6.018 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CCN1C ZINC000003954486 561690849 /nfs/dbraw/zinc/69/08/49/561690849.db2.gz DJAWTLHBPPQMPV-SVBPBHIXSA-N 1 0 562.666 6.909 3 0 KKAFRO COc1ccccc1C[N@@H+]1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 ZINC000003955800 561690903 /nfs/dbraw/zinc/69/09/03/561690903.db2.gz AUTGSYVNUTZONK-UHFFFAOYSA-N 1 0 514.510 6.251 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2cnc3nccnc3c2)c1 ZINC000003985600 561692761 /nfs/dbraw/zinc/69/27/61/561692761.db2.gz GDRKRHYWVUCPSG-GXUJUKEASA-N 1 0 614.838 7.547 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425231 561694965 /nfs/dbraw/zinc/69/49/65/561694965.db2.gz KTYIETCDDNNOLD-VWLOTQADSA-N 1 0 546.520 6.618 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923774 561700319 /nfs/dbraw/zinc/70/03/19/561700319.db2.gz UPXQKZKLSGNVHJ-HTUDZTEFSA-N 1 0 511.615 5.170 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000006511194 561702841 /nfs/dbraw/zinc/70/28/41/561702841.db2.gz CFBAPINUWMHRRH-HKBQPEDESA-N 1 0 528.741 6.354 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000006744679 561703165 /nfs/dbraw/zinc/70/31/65/561703165.db2.gz CPLGYLJHIKGTTM-UHFFFAOYSA-N 1 0 503.090 6.970 1 0 KKAFRO COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455674 561713618 /nfs/dbraw/zinc/71/36/18/561713618.db2.gz LOXUUVJTKHHJKI-JOCHJYFZSA-N 1 0 500.658 7.186 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585162 561705855 /nfs/dbraw/zinc/70/58/55/561705855.db2.gz GERZIBJSNHFDPD-OXVBVIIPSA-N 1 0 611.185 8.877 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585198 561705866 /nfs/dbraw/zinc/70/58/66/561705866.db2.gz MTMAYQKEAVNSAJ-KRKCRBJRSA-N 1 0 536.075 6.605 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000008585130 561705875 /nfs/dbraw/zinc/70/58/75/561705875.db2.gz RTXHEHJHOFHRFX-QHHIVDTJSA-N 1 0 505.702 7.542 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585810 561705914 /nfs/dbraw/zinc/70/59/14/561705914.db2.gz KUOJETNPGHHXFO-DYAPXYCXSA-N 1 0 536.075 6.605 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000008586121 561705949 /nfs/dbraw/zinc/70/59/49/561705949.db2.gz KRBGXVBDTBOSTH-OWGSQAEBSA-N 1 0 505.702 7.542 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586113 561706007 /nfs/dbraw/zinc/70/60/07/561706007.db2.gz VDADFPWGIVKDSN-NNLMEJECSA-N 1 0 611.185 8.877 3 0 KKAFRO Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597731 561706188 /nfs/dbraw/zinc/70/61/88/561706188.db2.gz LOZULCBPVXSHHA-UHFFFAOYSA-N 1 0 571.766 5.998 1 0 KKAFRO C[C@H](Nc1nccc(-c2cc(N(C)CC[NH+](C)C)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439143 561712238 /nfs/dbraw/zinc/71/22/38/561712238.db2.gz MEMWBKJNZJSCOG-IBGZPJMESA-N 1 0 521.591 5.790 1 0 KKAFRO COc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443626 561712964 /nfs/dbraw/zinc/71/29/64/561712964.db2.gz BYJSSJUUKGUDHW-SANMLTNESA-N 1 0 540.680 5.242 1 0 KKAFRO CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000013451506 561713375 /nfs/dbraw/zinc/71/33/75/561713375.db2.gz FEGCNBPKWNAYBR-UHFFFAOYSA-N 1 0 516.707 6.544 1 0 KKAFRO COc1ccc(C[N@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F ZINC000013473319 561714372 /nfs/dbraw/zinc/71/43/72/561714372.db2.gz OPWHNQJROOXYEZ-UHFFFAOYSA-N 1 0 526.652 5.965 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489486 561715922 /nfs/dbraw/zinc/71/59/22/561715922.db2.gz WJLNAPDUWBBQHL-MUUNZHRXSA-N 1 0 501.417 5.516 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489500 561715924 /nfs/dbraw/zinc/71/59/24/561715924.db2.gz WAHSFNMXOHAFIQ-RRPNLBNLSA-N 1 0 507.421 5.060 1 0 KKAFRO CC[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000013545627 561718143 /nfs/dbraw/zinc/71/81/43/561718143.db2.gz MNBCGEBWVWJMKL-RWSKJCERSA-N 1 0 514.758 5.932 3 0 KKAFRO Cc1c(-c2ccc(C(C)C)cc2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559583 561719487 /nfs/dbraw/zinc/71/94/87/561719487.db2.gz BUKGCCJDMKPLDD-UHFFFAOYSA-N 1 0 532.635 5.005 1 0 KKAFRO Cc1cc(C)c(S(=O)(=O)N2CCC(C)([NH+]3CCC(N(c4ccccc4)c4ccccc4)CC3)CC2)c(C)c1 ZINC000013560302 561719699 /nfs/dbraw/zinc/71/96/99/561719699.db2.gz XAKCAJVBHUYUGU-UHFFFAOYSA-N 1 0 531.766 6.458 1 0 KKAFRO CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1 ZINC000013613303 561722072 /nfs/dbraw/zinc/72/20/72/561722072.db2.gz XNECWHFEDUTGHE-NDIVSWGXSA-N 1 0 507.650 5.866 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(OCCc2ccc(Br)cc2)c1 ZINC000013643359 561722322 /nfs/dbraw/zinc/72/23/22/561722322.db2.gz KREFHLJLUUEHNH-UHFFFAOYSA-N 1 0 512.423 5.251 1 0 KKAFRO Cc1c(Cl)nc2ccccc2c1C(=O)NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013644348 561722424 /nfs/dbraw/zinc/72/24/24/561722424.db2.gz VRNGRBIMQBSIJF-UHFFFAOYSA-N 1 0 515.101 7.416 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cccc(Cl)c3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646527 561722571 /nfs/dbraw/zinc/72/25/71/561722571.db2.gz NCAGDRYDCZWAGC-UHFFFAOYSA-N 1 0 517.482 6.316 1 0 KKAFRO CC[NH+](CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3cc(OC)cc(OC)c3)cc2cn1 ZINC000013647835 561722728 /nfs/dbraw/zinc/72/27/28/561722728.db2.gz YMKCMNJQFGEWCA-UHFFFAOYSA-N 1 0 522.694 5.768 1 0 KKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCC([C@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000013651776 561723108 /nfs/dbraw/zinc/72/31/08/561723108.db2.gz SIWVJCRPVXMIBY-HKBQPEDESA-N 1 0 507.118 6.607 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000013660995 561723320 /nfs/dbraw/zinc/72/33/20/561723320.db2.gz UPXQBLPCYIPMQK-VWLOTQADSA-N 1 0 514.666 6.407 3 0 KKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674191 561723845 /nfs/dbraw/zinc/72/38/45/561723845.db2.gz YQBRYEMSCWENAH-SFHVURJKSA-N 1 0 508.403 6.114 1 0 KKAFRO O=C(CCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679411 561724539 /nfs/dbraw/zinc/72/45/39/561724539.db2.gz DJYUJPYMPVRRIB-UHFFFAOYSA-N 1 0 503.090 6.970 1 0 KKAFRO CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000013687665 561724896 /nfs/dbraw/zinc/72/48/96/561724896.db2.gz XYTIFQRQPIRQKL-LNFHGXOESA-N 1 0 503.712 5.169 1 0 KKAFRO CCCCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000013781334 561729292 /nfs/dbraw/zinc/72/92/92/561729292.db2.gz ZRALBZBQZUJSPR-UHFFFAOYSA-N 1 0 514.622 6.249 1 0 KKAFRO COc1ccc2c(c1)sc(-c1ccc3c(c1)OCO3)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834317 561734187 /nfs/dbraw/zinc/73/41/87/561734187.db2.gz XSUIKTBKQAZBLT-UHFFFAOYSA-N 1 0 515.631 6.401 1 0 KKAFRO Cc1cc(C)cc(CC(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000013835139 561734324 /nfs/dbraw/zinc/73/43/24/561734324.db2.gz VLDIKRWPOVDEKL-HHHXNRCGSA-N 1 0 502.530 5.961 1 0 KKAFRO COc1ccc([C@H](CC[NH+]2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000013861747 561734769 /nfs/dbraw/zinc/73/47/69/561734769.db2.gz YMXILHSRXXPJAE-SANMLTNESA-N 1 0 500.561 6.055 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C[C@@H]2C)cc1 ZINC000013862311 561734782 /nfs/dbraw/zinc/73/47/82/561734782.db2.gz HQFRWUIYOKLMKL-RAIFYMORSA-N 1 0 511.710 6.739 1 0 KKAFRO O[C@@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1ccccc1C1CCCC1 ZINC000013912526 561735697 /nfs/dbraw/zinc/73/56/97/561735697.db2.gz WISVQGDWWARZOB-LSYYVWMOSA-N 1 0 513.600 6.903 1 0 KKAFRO CN(C)C(=O)C1(N2CCCCC2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000014166280 561737191 /nfs/dbraw/zinc/73/71/91/561737191.db2.gz RVQZVVJLIUXDPN-JGCGQSQUSA-N 1 0 601.619 5.160 1 0 KKAFRO COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH+]2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000014208913 561737723 /nfs/dbraw/zinc/73/77/23/561737723.db2.gz KVZQUFXKOOQCNY-FNORWQNLSA-N 1 0 567.715 5.768 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC000014943225 561741116 /nfs/dbraw/zinc/74/11/16/561741116.db2.gz GFTWFKGCSFRFOV-QEGGNFSNSA-N 1 0 555.801 5.025 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)C[NH2+]2)c1 ZINC000016052458 561754015 /nfs/dbraw/zinc/75/40/15/561754015.db2.gz YDCNYSQITCUGST-FEFKUCBWSA-N 1 0 593.715 5.047 1 0 in-vitro KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CC=Cc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950410 561745497 /nfs/dbraw/zinc/74/54/97/561745497.db2.gz KCFMODQXICCLMX-UHFFFAOYSA-N 1 0 558.564 6.017 1 0 KKAFRO CCc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+](C)C)cc2)CC3)cc1 ZINC000014950590 561745663 /nfs/dbraw/zinc/74/56/63/561745663.db2.gz JMGINPKJPSJGBU-UHFFFAOYSA-N 1 0 518.583 6.385 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950736 561745751 /nfs/dbraw/zinc/74/57/51/561745751.db2.gz OREKERSNHHDONJ-HSZRJFAPSA-N 1 0 516.580 5.895 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950894 561745902 /nfs/dbraw/zinc/74/59/02/561745902.db2.gz XQGUFFSRHKRUOB-RUZDIDTESA-N 1 0 515.642 6.489 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 ZINC000014953391 561746643 /nfs/dbraw/zinc/74/66/43/561746643.db2.gz XBTPFPWYGMNPPA-GDLZYMKVSA-N 1 0 508.622 5.418 1 0 KKAFRO COc1c(Br)cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953536 561746647 /nfs/dbraw/zinc/74/66/47/561746647.db2.gz BDYFOSDTBNSZBW-UHFFFAOYSA-N 1 0 593.349 6.427 1 0 KKAFRO CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C4CC4)ccc3N(C)CCC[NH+](C)C)c2)n1 ZINC000014957319 561747931 /nfs/dbraw/zinc/74/79/31/561747931.db2.gz ONNAUHNPKVGFEK-UHFFFAOYSA-N 1 0 570.673 5.424 1 0 KKAFRO c1snnc1-c1ccc(C[NH2+]Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)cc1 ZINC000014957992 561748066 /nfs/dbraw/zinc/74/80/66/561748066.db2.gz IDOMNVMCTSOYEU-UHFFFAOYSA-N 1 0 502.607 5.404 1 0 KKAFRO CC[C@H](C)c1nc(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000014957925 561748085 /nfs/dbraw/zinc/74/80/85/561748085.db2.gz ILSSGVAAXSWLME-QFIPXVFZSA-N 1 0 533.676 6.098 1 0 KKAFRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959658 561748185 /nfs/dbraw/zinc/74/81/85/561748185.db2.gz SVPMYJVMCNPHDZ-UHFFFAOYSA-N 1 0 525.074 5.433 1 0 KKAFRO O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Nc2cc[nH+]cc2)CC1 ZINC000014959715 561748200 /nfs/dbraw/zinc/74/82/00/561748200.db2.gz MGMRQNKJMRCNMF-UHFFFAOYSA-N 1 0 518.042 6.171 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1 ZINC000014961937 561748574 /nfs/dbraw/zinc/74/85/74/561748574.db2.gz YDVHOBYFWTVXDV-LYORWDPXSA-N 1 0 589.736 5.501 1 0 KKAFRO OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000017194643 561754277 /nfs/dbraw/zinc/75/42/77/561754277.db2.gz YAEJOANLERDYGA-WNQXLSPZSA-N 1 0 523.673 5.619 1 0 KKAFRO CC(C)[NH+]1CCC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962998 561748705 /nfs/dbraw/zinc/74/87/05/561748705.db2.gz BKHYXAHELNMVSF-UHFFFAOYSA-N 1 0 545.902 6.750 1 0 KKAFRO C[NH+](C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1 ZINC000014963636 561749188 /nfs/dbraw/zinc/74/91/88/561749188.db2.gz MQKQSGLRSREOQS-UHFFFAOYSA-N 1 0 532.880 7.428 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCC[NH+]4CCCCC4)c(F)c3)n2)c(OC)c1 ZINC000014965464 561749676 /nfs/dbraw/zinc/74/96/76/561749676.db2.gz XCEDFZFYFQZOMX-UHFFFAOYSA-N 1 0 629.733 7.585 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000014970491 561750961 /nfs/dbraw/zinc/75/09/61/561750961.db2.gz QIYOXEQGZPLGBP-OGVWKLGRSA-N 1 0 631.781 5.491 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 ZINC000014970374 561750967 /nfs/dbraw/zinc/75/09/67/561750967.db2.gz BLVAQCTVXRMXDP-GDLZYMKVSA-N 1 0 545.691 5.212 1 0 KKAFRO CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000014970597 561751044 /nfs/dbraw/zinc/75/10/44/561751044.db2.gz SXXCJMWDJJZVGN-MGBGTMOVSA-N 1 0 585.756 5.977 1 0 KKAFRO CCCCCCNC(=O)N[C@@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2Cc2ccccc2)N1CCc1cccc(OC)c1)C(C)C ZINC000017376962 561755142 /nfs/dbraw/zinc/75/51/42/561755142.db2.gz UKLVQPBUKCHXHY-MZSJJGOWSA-N 1 0 618.867 5.005 3 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000017545791 561755970 /nfs/dbraw/zinc/75/59/70/561755970.db2.gz CEXHKARDBJYWJT-RUZDIDTESA-N 1 0 588.701 5.489 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545803 561755976 /nfs/dbraw/zinc/75/59/76/561755976.db2.gz BNFZUJXLJVBSSL-QHCPKHFHSA-N 1 0 553.696 6.187 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545773 561756018 /nfs/dbraw/zinc/75/60/18/561756018.db2.gz TYXRLGQICZVXEA-IZLXSDGUSA-N 1 0 558.719 6.227 3 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545761 561756034 /nfs/dbraw/zinc/75/60/34/561756034.db2.gz XKIPIKHAXOFXLT-XMMPIXPASA-N 1 0 574.674 5.180 3 0 KKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000017577524 561756638 /nfs/dbraw/zinc/75/66/38/561756638.db2.gz ZEPXBJNKUZWBDJ-PERBVQQVSA-N 1 0 553.149 9.091 3 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OCC2CC2)C1 ZINC000026149812 561767544 /nfs/dbraw/zinc/76/75/44/561767544.db2.gz UUKCJRIPKQWEID-HKBQPEDESA-N 1 0 510.722 6.922 1 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654993 561757808 /nfs/dbraw/zinc/75/78/08/561757808.db2.gz NDPZVFGDWNTQOK-SVBPBHIXSA-N 1 0 618.771 6.245 1 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OCC2CC2)C1 ZINC000026149803 561767576 /nfs/dbraw/zinc/76/75/76/561767576.db2.gz UUKCJRIPKQWEID-WJOKGBTCSA-N 1 0 510.722 6.922 1 0 KKAFRO O[C@H](CC[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365462 561758342 /nfs/dbraw/zinc/75/83/42/561758342.db2.gz WPTBYSWSMZEWGH-HHHXNRCGSA-N 1 0 545.468 5.575 1 0 KKAFRO C[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)n1)c1ccccc1 ZINC000021289773 561758846 /nfs/dbraw/zinc/75/88/46/561758846.db2.gz QICPQLFMWYQJGX-GOSISDBHSA-N 1 0 506.576 6.203 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[NH2+]CC4)cc3F)cc12 ZINC000022451845 561759352 /nfs/dbraw/zinc/75/93/52/561759352.db2.gz HMOHJEKAKRIFLF-UHFFFAOYSA-N 1 0 579.558 5.078 1 0 KKAFRO COc1ccc(-c2cc(CCCCN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC ZINC000022924671 561759579 /nfs/dbraw/zinc/75/95/79/561759579.db2.gz RRGIAVYUCTYDDX-UHFFFAOYSA-N 1 0 511.666 6.089 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCC[NH+]1CCN(C)CC1 ZINC000022925849 561759741 /nfs/dbraw/zinc/75/97/41/561759741.db2.gz LDNWUKVFPZRPRN-UHFFFAOYSA-N 1 0 537.752 6.877 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1ccccc1C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000022940857 561761034 /nfs/dbraw/zinc/76/10/34/561761034.db2.gz AKHKAZRGQQPVBT-RUZDIDTESA-N 1 0 503.609 5.064 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000023254580 561761475 /nfs/dbraw/zinc/76/14/75/561761475.db2.gz WNKRABSIBSPIHJ-HHHXNRCGSA-N 1 0 560.532 6.187 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Cc4ccccc4)nc3n2)CC1 ZINC000023357787 561761767 /nfs/dbraw/zinc/76/17/67/561761767.db2.gz VVOJUAZROSTQRF-UHFFFAOYSA-N 1 0 564.521 5.229 1 0 KKAFRO C[NH+]1CCN(Cc2ccc3c(c2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c3Cl)CC1 ZINC000023359282 561762212 /nfs/dbraw/zinc/76/22/12/561762212.db2.gz PHYGKMMNCNPGMU-UHFFFAOYSA-N 1 0 587.960 7.114 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025964369 561763012 /nfs/dbraw/zinc/76/30/12/561763012.db2.gz IYLYKNXTJDUBKA-KXYMVQBMSA-N 1 0 635.674 10.256 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)cc(=O)nc1SCc1ccc(F)cc1 ZINC000026006651 561765601 /nfs/dbraw/zinc/76/56/01/561765601.db2.gz PZUQQORPORVJNV-UHFFFAOYSA-N 1 0 640.747 7.040 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCO)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008731 561765792 /nfs/dbraw/zinc/76/57/92/561765792.db2.gz XGBQLPVZQWPTIB-UHFFFAOYSA-N 1 0 670.773 6.266 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(OC)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007832 561765803 /nfs/dbraw/zinc/76/58/03/561765803.db2.gz FWIRCFLPCQRZAE-UHFFFAOYSA-N 1 0 656.746 6.740 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1ccc(=O)nc1SCc1ccc(F)cc1 ZINC000026014284 561766161 /nfs/dbraw/zinc/76/61/61/561766161.db2.gz HOHKLBBSZBYNQP-UHFFFAOYSA-N 1 0 593.168 6.366 1 0 KKAFRO CCS(=O)(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026016489 561766340 /nfs/dbraw/zinc/76/63/40/561766340.db2.gz NEAAIRIEWPFXMY-UHFFFAOYSA-N 1 0 503.712 6.368 1 0 KKAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC ZINC000026018064 561766468 /nfs/dbraw/zinc/76/64/68/561766468.db2.gz MMKNLRVPXCJHQL-IBGZPJMESA-N 1 0 514.047 5.048 1 0 KKAFRO CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000026145816 561767172 /nfs/dbraw/zinc/76/71/72/561767172.db2.gz BDEAPIBOCDRCEQ-YERGJTCLSA-N 1 0 602.860 7.031 1 0 KKAFRO COc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026162926 561768686 /nfs/dbraw/zinc/76/86/86/561768686.db2.gz LRGXNDRYQBWFPC-VWLOTQADSA-N 1 0 513.009 5.039 1 0 KKAFRO COc1ccc2c(c1)nc(NCCC[NH2+]CCCNc1nc3cc(OC)ccc3n3cccc13)c1cccn12 ZINC000026163532 561768775 /nfs/dbraw/zinc/76/87/75/561768775.db2.gz USTFUXUEOWXZDX-UHFFFAOYSA-N 1 0 523.641 5.199 1 0 KKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026165993 561769248 /nfs/dbraw/zinc/76/92/48/561769248.db2.gz YVJCKFKMZVODMS-HYBUGGRVSA-N 1 0 512.597 6.099 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166948 561769340 /nfs/dbraw/zinc/76/93/40/561769340.db2.gz RSPWHGICVNMFPG-XUZZJYLKSA-N 1 0 504.652 5.097 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000026247227 561773448 /nfs/dbraw/zinc/77/34/48/561773448.db2.gz RKIAGHOGEJSAGM-LJAQVGFWSA-N 1 0 608.646 5.015 1 0 KKAFRO COc1ccc([C@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189999 561773452 /nfs/dbraw/zinc/77/34/52/561773452.db2.gz GXEBXJCYTURXIM-YTTGMZPUSA-N 1 0 535.750 7.314 1 0 KKAFRO COc1ccc([C@@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271223 561777357 /nfs/dbraw/zinc/77/73/57/561777357.db2.gz KLIWAWKHWKQIAF-JGCGQSQUSA-N 1 0 579.803 7.880 1 0 KKAFRO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000026272849 561777432 /nfs/dbraw/zinc/77/74/32/561777432.db2.gz FGWGTCUSAKNWBN-UHFFFAOYSA-N 1 0 637.756 6.329 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273504 561777614 /nfs/dbraw/zinc/77/76/14/561777614.db2.gz MAWFLIXGSFCFQL-PMERELPUSA-N 1 0 559.694 8.363 1 0 KKAFRO COc1ccc([C@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274519 561777872 /nfs/dbraw/zinc/77/78/72/561777872.db2.gz GINSMERMFDOMOV-NDEPHWFRSA-N 1 0 501.733 6.913 1 0 KKAFRO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccncc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026277548 561778581 /nfs/dbraw/zinc/77/85/81/561778581.db2.gz AQZSZTYPDANNPB-UHFFFAOYSA-N 1 0 631.708 6.133 1 0 KKAFRO CC(C)(C)Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000026283833 561779444 /nfs/dbraw/zinc/77/94/44/561779444.db2.gz YSHLCXOJXKAALM-DEOSSOPVSA-N 1 0 549.737 5.092 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287221 561779909 /nfs/dbraw/zinc/77/99/09/561779909.db2.gz VDGIWFABCWUAFZ-DNQXCXABSA-N 1 0 551.518 6.219 1 0 KKAFRO CN(C[C@@H](CC[N@@H+]1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288512 561780192 /nfs/dbraw/zinc/78/01/92/561780192.db2.gz FPXIRXAXVYUYRD-DHIUTWEWSA-N 1 0 537.491 5.829 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000026291857 561780755 /nfs/dbraw/zinc/78/07/55/561780755.db2.gz ORPZVEATXOARKK-BDYUSTAISA-N 1 0 522.649 5.030 1 0 KKAFRO O=C(N[C@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1ccc2ccccc2c1)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376303 561782072 /nfs/dbraw/zinc/78/20/72/561782072.db2.gz XUTLWPMTEHHPAS-PMERELPUSA-N 1 0 543.111 6.216 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(OC)c(OC)c4)n(Cc4ccc(OC)c(OC)c4)c3c2)C1C(=O)OC ZINC000026379024 561782936 /nfs/dbraw/zinc/78/29/36/561782936.db2.gz CMIGUXBDWJCVMT-AOWPFSRESA-N 1 0 627.694 6.207 1 0 KKAFRO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384037 561783851 /nfs/dbraw/zinc/78/38/51/561783851.db2.gz QUJBCVPLCYEHOW-LOTJKCTMSA-N 1 0 657.664 5.256 1 0 KKAFRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384130 561783939 /nfs/dbraw/zinc/78/39/39/561783939.db2.gz HNCAPNUVEKFTJS-ARROIKNCSA-N 1 0 683.702 5.742 1 0 KKAFRO O=c1cc(C2N=NN=N2)oc2cc(OCCC[NH+]3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000026498457 561794816 /nfs/dbraw/zinc/79/48/16/561794816.db2.gz IYLCVMQPTBXUOZ-UHFFFAOYSA-N 1 0 519.605 6.991 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026388503 561785085 /nfs/dbraw/zinc/78/50/85/561785085.db2.gz ZFZDDLWZOLTTQV-PUAPYOPTSA-N 1 0 686.749 7.650 1 0 KKAFRO C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026390589 561785706 /nfs/dbraw/zinc/78/57/06/561785706.db2.gz DZSDSDLGIAASDJ-CHJDUVSTSA-N 1 0 588.601 5.383 1 0 KKAFRO C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026390585 561785711 /nfs/dbraw/zinc/78/57/11/561785711.db2.gz DZSDSDLGIAASDJ-SMSORMJASA-N 1 0 588.601 5.383 1 0 KKAFRO CCCCc1nc2cccc(C(=O)OCC[NH+]3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026395770 561786929 /nfs/dbraw/zinc/78/69/29/561786929.db2.gz QXKDBSGXLFGZIM-UHFFFAOYSA-N 1 0 563.706 5.917 1 0 KKAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](CCC(F)(F)F)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466838 561789828 /nfs/dbraw/zinc/78/98/28/561789828.db2.gz YBVNHKQEBNISKG-CYFREDJKSA-N 1 0 585.637 6.197 1 0 KKAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CC[N@H+]([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026479542 561791565 /nfs/dbraw/zinc/79/15/65/561791565.db2.gz IOAZQBRQOPSGMR-IADCTJSHSA-N 1 0 579.711 6.097 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000026487503 561792628 /nfs/dbraw/zinc/79/26/28/561792628.db2.gz WRVPMFQQPSZJIU-KVHSSYOWSA-N 1 0 579.458 5.020 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492131 561793592 /nfs/dbraw/zinc/79/35/92/561793592.db2.gz OTHFWBHXJUPUNZ-CHTIKVTKSA-N 1 0 606.619 5.510 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCc2c[nH]cn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794078 /nfs/dbraw/zinc/79/40/78/561794078.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 1 0 579.834 5.866 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026495572 561794337 /nfs/dbraw/zinc/79/43/37/561794337.db2.gz AKMPPEHIIYDFBC-FPHJQGEJSA-N 1 0 591.626 5.943 1 0 KKAFRO CCCCCCN(C(=O)OC)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496732 561794493 /nfs/dbraw/zinc/79/44/93/561794493.db2.gz RCPDEZFBKMZZMJ-HHHXNRCGSA-N 1 0 543.774 5.594 1 0 KKAFRO CCCN(C(=O)c1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026501818 561795637 /nfs/dbraw/zinc/79/56/37/561795637.db2.gz QQAHRLRNHDSDDK-LJAQVGFWSA-N 1 0 547.765 5.498 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026505670 561796584 /nfs/dbraw/zinc/79/65/84/561796584.db2.gz LCDCUQMYABQNGI-LHEWISCISA-N 1 0 708.727 7.240 1 0 KKAFRO CCCN(C(=O)OCc1ccccc1C)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026508424 561796941 /nfs/dbraw/zinc/79/69/41/561796941.db2.gz PXJAMMLQVVLTIL-SSEXGKCCSA-N 1 0 591.818 6.303 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC(C)(C)C4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576834 561800718 /nfs/dbraw/zinc/80/07/18/561800718.db2.gz VSKOOHMDISQKAR-HHHXNRCGSA-N 1 0 564.818 7.709 1 0 KKAFRO COc1ccc(S(=O)(=O)N(C)C[C@@H](CC[NH+]2CCC3(C[S@@](=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026577812 561802357 /nfs/dbraw/zinc/80/23/57/561802357.db2.gz CBYZGFYDJQMMJL-CPVMILDDSA-N 1 0 621.652 5.951 1 0 KKAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000026577861 561802472 /nfs/dbraw/zinc/80/24/72/561802472.db2.gz PPYHLAOWZGOBEU-UHFFFAOYSA-N 1 0 604.526 5.349 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026578606 561803571 /nfs/dbraw/zinc/80/35/71/561803571.db2.gz QTIDZFUSYXAXHM-PQZOHRHNSA-N 1 0 597.655 6.004 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000026578684 561803677 /nfs/dbraw/zinc/80/36/77/561803677.db2.gz GOTHHOLKGACPTF-IJENORETSA-N 1 0 570.586 6.786 1 0 KKAFRO [NH3+]CC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026580123 561805490 /nfs/dbraw/zinc/80/54/90/561805490.db2.gz UGLKTTMREWKECX-HHHXNRCGSA-N 1 0 652.859 5.317 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026580205 561805607 /nfs/dbraw/zinc/80/56/07/561805607.db2.gz DKYFMNJPZUVNFV-KSPMJJNASA-N 1 0 555.571 6.394 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000026641207 561806580 /nfs/dbraw/zinc/80/65/80/561806580.db2.gz ZHANHEXWYCKKNE-GPJMPKJXSA-N 1 0 557.181 5.289 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc2ccccc2c1 ZINC000026640660 561806667 /nfs/dbraw/zinc/80/66/67/561806667.db2.gz OBVUZKZJWYCTTA-DJBJFXINSA-N 1 0 613.802 7.676 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN(C(=O)c3cccc4ccccc43)C[C@@H]2c2ccccc2)CC1 ZINC000026659476 561810064 /nfs/dbraw/zinc/81/00/64/561810064.db2.gz NRTDAVJLOWCOMF-MFACQUFMSA-N 1 0 575.753 6.819 1 0 KKAFRO CN(C)C(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026667245 561811427 /nfs/dbraw/zinc/81/14/27/561811427.db2.gz KQIVABWZJYITON-FJBVROLSSA-N 1 0 678.726 7.711 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc2ccccc21 ZINC000026668993 561811947 /nfs/dbraw/zinc/81/19/47/561811947.db2.gz BNRSRJKHXKYDQR-AQSZECPKSA-N 1 0 675.644 9.028 1 0 KKAFRO C[C@H](C1CC1)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026670468 561812225 /nfs/dbraw/zinc/81/22/25/561812225.db2.gz PMTDZISTUJQDHS-QGZVFWFLSA-N 1 0 572.939 8.792 1 0 KKAFRO O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CC[NH+](CC[C@]2(c3ccc4c(c3)OCO4)CCN(C(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000026670660 561812257 /nfs/dbraw/zinc/81/22/57/561812257.db2.gz QPFYLKDZMPQIPZ-FAIXQHPJSA-N 1 0 727.664 8.028 1 0 KKAFRO O=C(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CC[NH+](CC[C@@]2(c3ccc4c(c3)OCO4)CCN(C(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000026670654 561812265 /nfs/dbraw/zinc/81/22/65/561812265.db2.gz QPFYLKDZMPQIPZ-RRHRGVEJSA-N 1 0 727.664 8.028 1 0 KKAFRO COc1ccc([C@@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026672392 561812718 /nfs/dbraw/zinc/81/27/18/561812718.db2.gz XMRHEUULHFVWJE-QNGWXLTQSA-N 1 0 656.780 5.375 1 0 KKAFRO COc1ccc([C@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026672397 561812724 /nfs/dbraw/zinc/81/27/24/561812724.db2.gz XMRHEUULHFVWJE-DIPNUNPCSA-N 1 0 656.780 5.375 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672790 561812865 /nfs/dbraw/zinc/81/28/65/561812865.db2.gz YCCLCMWMAFCWMJ-UHFFFAOYSA-N 1 0 578.157 6.366 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCOCc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026673619 561813256 /nfs/dbraw/zinc/81/32/56/561813256.db2.gz CGNVNXXLENQGRB-WBCKFURZSA-N 1 0 720.867 6.641 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2cc(Br)cc(Br)c2)c1 ZINC000026824978 561821848 /nfs/dbraw/zinc/82/18/48/561821848.db2.gz MQXUGPXFUUIGLD-WUFINQPMSA-N 1 0 621.417 7.382 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026728239 561816311 /nfs/dbraw/zinc/81/63/11/561816311.db2.gz JEUCGGOZAIJNFG-BESSAKRQSA-N 1 0 506.602 5.365 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729840 561816645 /nfs/dbraw/zinc/81/66/45/561816645.db2.gz RXOYYGMYKUAUNP-PFFZYSGCSA-N 1 0 520.629 5.152 1 0 KKAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc32)ccc1O ZINC000026829367 561822601 /nfs/dbraw/zinc/82/26/01/561822601.db2.gz WXVKLLMRCJZGIX-BVAGGSTKSA-N 1 0 542.604 5.125 1 0 KKAFRO O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026833149 561823469 /nfs/dbraw/zinc/82/34/69/561823469.db2.gz DRANMSMNTPFXTF-MHZLTWQESA-N 1 0 587.548 5.057 1 0 KKAFRO C[C@@](CC[NH+]1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 ZINC000026836401 561824526 /nfs/dbraw/zinc/82/45/26/561824526.db2.gz LWFLTINWCAMLGU-QIKUIUABSA-N 1 0 534.704 5.858 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840429 561825523 /nfs/dbraw/zinc/82/55/23/561825523.db2.gz ALTXCOPWMUDTBZ-BHVANESWSA-N 1 0 594.731 5.980 1 0 KKAFRO CC(=O)Nc1nc(CN2CCC([NH2+]CC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000026848193 561826939 /nfs/dbraw/zinc/82/69/39/561826939.db2.gz PTIYKSDBVLRZAO-LJAQVGFWSA-N 1 0 657.668 5.305 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942342 561828186 /nfs/dbraw/zinc/82/81/86/561828186.db2.gz UCQRXBZYKFZLPN-LJAQVGFWSA-N 1 0 634.435 6.580 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026970058 561830272 /nfs/dbraw/zinc/83/02/72/561830272.db2.gz LURXIMFKURDUPV-NPJIAGGLSA-N 1 0 575.653 6.804 1 0 KKAFRO CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026985984 561831861 /nfs/dbraw/zinc/83/18/61/561831861.db2.gz FVYCHGZRYVAZJF-HOGKFDNTSA-N 1 0 535.588 5.883 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc[n+]([O-])cc2)c1 ZINC000026993178 561832794 /nfs/dbraw/zinc/83/27/94/561832794.db2.gz WZUOLVKXEZUZND-WPCLDFDBSA-N 1 0 578.801 6.700 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccnc(C(C)(C)O)c2)c1 ZINC000026997332 561833566 /nfs/dbraw/zinc/83/35/66/561833566.db2.gz FQOUKXJHARBDTJ-LROMOASZSA-N 1 0 620.882 7.689 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)cc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027100052 561838478 /nfs/dbraw/zinc/83/84/78/561838478.db2.gz FVEWABDTCRXLJS-OGICNVKRSA-N 1 0 528.652 5.820 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102736 561839258 /nfs/dbraw/zinc/83/92/58/561839258.db2.gz URBMBIPANSKQOM-LJAQVGFWSA-N 1 0 665.279 5.030 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105860 561840204 /nfs/dbraw/zinc/84/02/04/561840204.db2.gz WUFGLRYZWOUQQM-SSEXGKCCSA-N 1 0 679.306 5.419 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108521 561840867 /nfs/dbraw/zinc/84/08/67/561840867.db2.gz HVQORTSVHNWKTB-PMERELPUSA-N 1 0 679.306 5.419 1 0 KKAFRO O=C1[C@H](Cc2ccc(OCc3ccccc3)cc2)N(CCCCc2ccccc2)C(=O)N1CC[NH+]1CCCC1 ZINC000027192431 561843696 /nfs/dbraw/zinc/84/36/96/561843696.db2.gz NULUCCRMAJXPSS-HKBQPEDESA-N 1 0 525.693 5.560 1 0 KKAFRO C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000027200602 561845082 /nfs/dbraw/zinc/84/50/82/561845082.db2.gz QQUCDQPJIAUPNB-CQSZACIVSA-N 1 0 500.386 5.069 1 0 KKAFRO O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000027211926 561847311 /nfs/dbraw/zinc/84/73/11/561847311.db2.gz DVTKMMOXUSPMJV-UHFFFAOYSA-N 1 0 636.158 8.230 1 0 KKAFRO COC(=O)N1CCC(NC(=O)NCC(CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1 ZINC000027214557 561848032 /nfs/dbraw/zinc/84/80/32/561848032.db2.gz QNHKVEUPGHSYFU-UHFFFAOYSA-N 1 0 633.233 5.920 1 0 KKAFRO C[NH+](C)CCNC(=O)c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc32)c(Cl)c1 ZINC000027311382 561850762 /nfs/dbraw/zinc/85/07/62/561850762.db2.gz CHEJPNFCEJXWOS-UHFFFAOYSA-N 1 0 534.444 5.331 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[NH+](C)C)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027328530 561854248 /nfs/dbraw/zinc/85/42/48/561854248.db2.gz LIPVNCFJDODAOI-UHFFFAOYSA-N 1 0 574.697 6.101 1 0 KKAFRO CCCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027431073 561859345 /nfs/dbraw/zinc/85/93/45/561859345.db2.gz FEKRAPQYYVJDCN-RFYMFKDESA-N 1 0 537.724 5.046 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)NCCOC)cn3Cc2ccccc2F)cc1 ZINC000027332181 561855235 /nfs/dbraw/zinc/85/52/35/561855235.db2.gz ICWGWZNJTJKESB-UHFFFAOYSA-N 1 0 652.771 5.140 1 0 KKAFRO CN(C[C@@H](c1ccccc1Br)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027437288 561860387 /nfs/dbraw/zinc/86/03/87/561860387.db2.gz YHNFCOYWNUQUGQ-SANMLTNESA-N 1 0 634.503 7.179 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000027439019 561860607 /nfs/dbraw/zinc/86/06/07/561860607.db2.gz KVDRGPNXKCVXGD-GDLZYMKVSA-N 1 0 591.640 7.228 1 0 KKAFRO O=C(Nc1ccc(F)cc1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441863 561860802 /nfs/dbraw/zinc/86/08/02/561860802.db2.gz WSXDSEMULMKBGL-NRFANRHFSA-N 1 0 604.318 5.669 1 0 KKAFRO CCOc1ccccc1-c1ccc(C(=O)N[C@H](/C=C/c2ccccc2)[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000027517421 561861184 /nfs/dbraw/zinc/86/11/84/561861184.db2.gz RBJXGXOXVKHFAX-NZGPDINHSA-N 1 0 561.682 5.880 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@@H]2CCCC[NH2+]2)sn1 ZINC000027517611 561861284 /nfs/dbraw/zinc/86/12/84/561861284.db2.gz LGWAVKYZALCEPM-FQEVSTJZSA-N 1 0 551.112 6.394 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc([C@@H](C)CCNC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027517711 561861395 /nfs/dbraw/zinc/86/13/95/561861395.db2.gz UYXYJFILVNTMMW-UIOOVKKBSA-N 1 0 603.188 6.049 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517879 561861553 /nfs/dbraw/zinc/86/15/53/561861553.db2.gz OVNDNIJQJAWJBW-MFMCTBQISA-N 1 0 595.672 7.339 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027517860 561861579 /nfs/dbraw/zinc/86/15/79/561861579.db2.gz FRDFBIWKRXUUHO-NRFANRHFSA-N 1 0 531.056 6.024 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027517861 561861581 /nfs/dbraw/zinc/86/15/81/561861581.db2.gz FRDFBIWKRXUUHO-OAQYLSRUSA-N 1 0 531.056 6.024 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517975 561861649 /nfs/dbraw/zinc/86/16/49/561861649.db2.gz YLAVOXZWKHCONB-VWLOTQADSA-N 1 0 610.470 7.381 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000027518348 561862130 /nfs/dbraw/zinc/86/21/30/561862130.db2.gz LDQMDDWSQPMVAZ-XJEPXIRSSA-N 1 0 533.628 5.607 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2c1OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000027518335 561862177 /nfs/dbraw/zinc/86/21/77/561862177.db2.gz NRUOJZQFHLBZAO-DEOSSOPVSA-N 1 0 585.589 5.803 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)C1CCC(C2CCCCC2)CC1 ZINC000027518780 561862647 /nfs/dbraw/zinc/86/26/47/561862647.db2.gz JNGAIJYLBCTUCM-VXFMMQPOSA-N 1 0 529.725 5.887 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000027519019 561862893 /nfs/dbraw/zinc/86/28/93/561862893.db2.gz AAXSMTSTCQSEEA-FMEQSDRKSA-N 1 0 577.681 5.499 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027519022 561862911 /nfs/dbraw/zinc/86/29/11/561862911.db2.gz LQUHPSCNOVBDIJ-KBTGMKBMSA-N 1 0 603.188 5.876 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4nncs4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027520655 561863659 /nfs/dbraw/zinc/86/36/59/561863659.db2.gz QLYDPADLSBXEQL-SFHVURJKSA-N 1 0 538.073 5.480 1 0 KKAFRO S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCC[NH+]1CCCC1 ZINC000027525241 561865986 /nfs/dbraw/zinc/86/59/86/561865986.db2.gz XSKRCUHYGNXDAS-UHFFFAOYSA-N 1 0 559.405 5.498 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526206 561866135 /nfs/dbraw/zinc/86/61/35/561866135.db2.gz CHKOUYJMMIYLHA-SSEXGKCCSA-N 1 0 602.682 5.660 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCCC(=O)N2CCCCC2)CC1 ZINC000027526461 561866328 /nfs/dbraw/zinc/86/63/28/561866328.db2.gz UDFQNKWLOCRQMR-UHFFFAOYSA-N 1 0 551.175 6.862 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027548687 561867517 /nfs/dbraw/zinc/86/75/17/561867517.db2.gz ARVUOFMRSSPQPL-JGCGQSQUSA-N 1 0 630.736 6.277 1 0 KKAFRO CCOC(=O)[C@H](NCc1ccc(C[NH2+]Cc2ccccc2)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027550870 561867879 /nfs/dbraw/zinc/86/78/79/561867879.db2.gz URGUBSHCHJNHPR-CDBYGCFJSA-N 1 0 694.873 5.037 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCCCC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027559688 561870288 /nfs/dbraw/zinc/87/02/88/561870288.db2.gz VJSCZAKJVGYFGE-UHFFFAOYSA-N 1 0 539.720 7.297 1 0 KKAFRO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626696 561873216 /nfs/dbraw/zinc/87/32/16/561873216.db2.gz VWSDZLWAIZCEJG-OQBISYOISA-N 1 0 534.744 7.182 1 0 KKAFRO COC(=O)c1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027755428 561883476 /nfs/dbraw/zinc/88/34/76/561883476.db2.gz MCTNDNYNZMMEMH-UHFFFAOYSA-N 1 0 702.740 7.082 1 0 KKAFRO OCCC[NH2+]CCN(Cc1cccc(F)c1)Cc1cccc(CN(Cc2cccc(F)c2)Cc2cccc(F)c2)n1 ZINC000027759701 561883925 /nfs/dbraw/zinc/88/39/25/561883925.db2.gz IOHGKDIRDVLCBI-UHFFFAOYSA-N 1 0 562.680 5.676 1 0 KKAFRO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2ccccc2)CC1)C(C)=O ZINC000027868502 561887967 /nfs/dbraw/zinc/88/79/67/561887967.db2.gz AXHGMEAMIKHBDC-PMERELPUSA-N 1 0 552.719 5.132 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(O)cc1 ZINC000027881032 561889184 /nfs/dbraw/zinc/88/91/84/561889184.db2.gz ZJRLQCWVKOOKCH-DQSJHHFOSA-N 1 0 539.457 6.841 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3ccc(F)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027881389 561889191 /nfs/dbraw/zinc/88/91/91/561889191.db2.gz IOWNITOQAKITTC-PMERELPUSA-N 1 0 508.609 5.401 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cnc3[nH]cnc3c2)c1 ZINC000027884518 561889329 /nfs/dbraw/zinc/88/93/29/561889329.db2.gz ZXKTYOLDPJDWSF-DCWSAZFOSA-N 1 0 602.827 7.337 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027884668 561889369 /nfs/dbraw/zinc/88/93/69/561889369.db2.gz FPYIMCLXYPKJRQ-PMERELPUSA-N 1 0 558.616 6.280 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000027899010 561890623 /nfs/dbraw/zinc/89/06/23/561890623.db2.gz BJVCQEYCSAMXNW-WUXOVTSDSA-N 1 0 617.838 7.236 1 0 KKAFRO CC/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027899389 561890660 /nfs/dbraw/zinc/89/06/60/561890660.db2.gz ILUXOOXAZQEODK-JTUZCUIESA-N 1 0 674.553 10.042 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027995466 561893715 /nfs/dbraw/zinc/89/37/15/561893715.db2.gz OITPJOQDTNGJJF-YTTGMZPUSA-N 1 0 615.554 5.718 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997206 561894018 /nfs/dbraw/zinc/89/40/18/561894018.db2.gz NTMVVGPIFKNDSZ-CFSNMGLFSA-N 1 0 659.632 5.988 1 0 KKAFRO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017196 561897607 /nfs/dbraw/zinc/89/76/07/561897607.db2.gz GXTJLZJFVRBENE-NNYJQHGCSA-N 1 0 614.728 6.656 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CO2)CC1 ZINC000027999414 561894451 /nfs/dbraw/zinc/89/44/51/561894451.db2.gz BPASKODRCRZSFX-PMERELPUSA-N 1 0 552.502 5.228 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028003687 561895226 /nfs/dbraw/zinc/89/52/26/561895226.db2.gz XVFLNEOASJKKFX-JGCGQSQUSA-N 1 0 544.717 6.607 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(NC(=O)c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028004592 561895310 /nfs/dbraw/zinc/89/53/10/561895310.db2.gz YUGVJYLWMVLFQO-XIFFEERXSA-N 1 0 642.580 5.629 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)NCc4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028004596 561895331 /nfs/dbraw/zinc/89/53/31/561895331.db2.gz MAEQSOARWSYUGM-UMSFTDKQSA-N 1 0 656.607 5.763 1 0 KKAFRO COc1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028004394 561895385 /nfs/dbraw/zinc/89/53/85/561895385.db2.gz IPTNDKOUHSQINA-HKBQPEDESA-N 1 0 582.528 5.237 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007098 561895760 /nfs/dbraw/zinc/89/57/60/561895760.db2.gz KXMSNVZBMZCZNF-RFUUAGDRSA-N 1 0 652.855 7.820 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007040 561895814 /nfs/dbraw/zinc/89/58/14/561895814.db2.gz VAQXLOKMXJKNKW-RTKAOUNRSA-N 1 0 576.732 6.478 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000028012728 561896514 /nfs/dbraw/zinc/89/65/14/561896514.db2.gz NKIUUIQCFJBFIE-RUZDIDTESA-N 1 0 525.520 6.265 1 0 KKAFRO CCn1nc(CC2CCCCC2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013116 561896641 /nfs/dbraw/zinc/89/66/41/561896641.db2.gz UQTDOHYMRIKRFP-KUYURNMDSA-N 1 0 566.806 6.559 1 0 KKAFRO N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012957 561896711 /nfs/dbraw/zinc/89/67/11/561896711.db2.gz NRXLSVZBUARMKR-LSHZFYPFSA-N 1 0 599.697 7.048 1 0 KKAFRO CCn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014184 561896974 /nfs/dbraw/zinc/89/69/74/561896974.db2.gz CAJQJFGPPJJDPS-GABYNLOESA-N 1 0 582.833 6.617 1 0 KKAFRO CCn1nc(Cc2cccc(OC)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014280 561896985 /nfs/dbraw/zinc/89/69/85/561896985.db2.gz QPGWRXNHJFZWSD-QOCRQHEPSA-N 1 0 590.784 6.036 1 0 KKAFRO CCCSCCC[NH2+][C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4O)C[C@@H]1N(CC1CC1)CC[C@@]532 ZINC000028016663 561897408 /nfs/dbraw/zinc/89/74/08/561897408.db2.gz DQVXWTOGGHLRKE-HOXVFRLBSA-N 1 0 529.750 5.703 1 0 KKAFRO Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000028018394 561897900 /nfs/dbraw/zinc/89/79/00/561897900.db2.gz OFEZZDSSTUQAKL-BDYUSTAISA-N 1 0 523.518 8.609 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020378 561898412 /nfs/dbraw/zinc/89/84/12/561898412.db2.gz LDQZTCUONOGUGB-JGCGQSQUSA-N 1 0 580.747 6.212 1 0 KKAFRO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022938 561898869 /nfs/dbraw/zinc/89/88/69/561898869.db2.gz ARFHIUFTOLCGFS-XXSKFNENSA-N 1 0 686.894 6.470 1 0 KKAFRO CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086186 561899099 /nfs/dbraw/zinc/89/90/99/561899099.db2.gz AWVSZEIDIPLFFV-LEFKNYOOSA-N 1 0 644.754 6.926 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028086831 561899195 /nfs/dbraw/zinc/89/91/95/561899195.db2.gz VNMYGCFDQRWNPO-YTTGMZPUSA-N 1 0 562.707 6.746 1 0 KKAFRO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1 ZINC000028092235 561900113 /nfs/dbraw/zinc/90/01/13/561900113.db2.gz ZMWYPHJRULTAQZ-AHKZPQOWSA-N 1 0 530.632 5.177 1 0 KKAFRO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095088 561900681 /nfs/dbraw/zinc/90/06/81/561900681.db2.gz XLIWORCNUUZJJY-LOZBNSEJSA-N 1 0 618.838 6.816 1 0 KKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(Cl)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104805 561902180 /nfs/dbraw/zinc/90/21/80/561902180.db2.gz CKSSQVVVVRRGTB-JOCHJYFZSA-N 1 0 530.927 8.141 1 0 KKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028111779 561903141 /nfs/dbraw/zinc/90/31/41/561903141.db2.gz FWQVEPLQUPRTLH-QFIPXVFZSA-N 1 0 514.472 7.627 1 0 KKAFRO CN(C)C(=[NH2+])c1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028111306 561903163 /nfs/dbraw/zinc/90/31/63/561903163.db2.gz RMFFSZXKEICWOY-UHFFFAOYSA-N 1 0 532.431 6.447 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028112200 561903238 /nfs/dbraw/zinc/90/32/38/561903238.db2.gz BRXPRAJZVJZRHT-FQEVSTJZSA-N 1 0 572.408 7.546 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112542 561903264 /nfs/dbraw/zinc/90/32/64/561903264.db2.gz NLMFMSDGYBOUTF-FQEVSTJZSA-N 1 0 572.408 7.546 1 0 KKAFRO O=C(c1ccccc1)c1ccc2c(c1O)N[C@H](c1ccccc1)[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113334 561903412 /nfs/dbraw/zinc/90/34/12/561903412.db2.gz IMGVLHPPOZVQNA-CYEXUTLASA-N 1 0 526.636 6.917 1 0 KKAFRO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028115003 561903678 /nfs/dbraw/zinc/90/36/78/561903678.db2.gz OYBDEFVUQBRAKV-XMMPIXPASA-N 1 0 543.461 6.825 1 0 KKAFRO CCOc1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028128125 561905233 /nfs/dbraw/zinc/90/52/33/561905233.db2.gz XIBAWCRPBIJJIA-JGCGQSQUSA-N 1 0 557.735 5.639 1 0 KKAFRO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128400 561905235 /nfs/dbraw/zinc/90/52/35/561905235.db2.gz JTXBXFTVOCSXTB-IOWSJCHKSA-N 1 0 574.169 6.304 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC1CCCCC1)C(C)C ZINC000028130938 561905639 /nfs/dbraw/zinc/90/56/39/561905639.db2.gz JDVRYZBTMIOYJB-SSEXGKCCSA-N 1 0 535.729 5.869 1 0 KKAFRO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136299 561906659 /nfs/dbraw/zinc/90/66/59/561906659.db2.gz QWGSMTMVLWLWGB-DNQXCXABSA-N 1 0 574.692 5.337 1 0 KKAFRO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136596 561906703 /nfs/dbraw/zinc/90/67/03/561906703.db2.gz SKWFXNIWDGEMBS-DNQXCXABSA-N 1 0 591.744 6.070 1 0 KKAFRO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136790 561906804 /nfs/dbraw/zinc/90/68/04/561906804.db2.gz PVIPSFPLLZFEEP-FQLXRVMXSA-N 1 0 593.143 6.177 1 0 KKAFRO CCOc1cc(OCC[NH+](CC)CC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC)c2=O ZINC000028219197 561907190 /nfs/dbraw/zinc/90/71/90/561907190.db2.gz KOUNKPIJLHXAGQ-UHFFFAOYSA-N 1 0 513.631 5.775 1 0 KKAFRO CCCC[NH2+]C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222545 561907573 /nfs/dbraw/zinc/90/75/73/561907573.db2.gz UNISMNODUPTQJC-RNBOZOSOSA-N 1 0 534.544 7.883 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CC[NH+](CCC4CCCCC4)CC3)cc21 ZINC000028240329 561910408 /nfs/dbraw/zinc/91/04/08/561910408.db2.gz IWGHLFYOZWJKIH-NTEUORMPSA-N 1 0 534.144 6.730 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028242802 561910641 /nfs/dbraw/zinc/91/06/41/561910641.db2.gz PDVLWVXVOZYFHT-JXMROGBWSA-N 1 0 548.514 6.613 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S@](=O)C(F)(F)F)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028244706 561910752 /nfs/dbraw/zinc/91/07/52/561910752.db2.gz KLMLMBZALYAYAZ-RLPPDSJBSA-N 1 0 595.687 5.934 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028247956 561910868 /nfs/dbraw/zinc/91/08/68/561910868.db2.gz RTRGKSOJTPAMER-NTEUORMPSA-N 1 0 514.069 5.960 1 0 KKAFRO CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCC[NH3+])NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028256676 561911613 /nfs/dbraw/zinc/91/16/13/561911613.db2.gz FOSSHOAJMBIOEK-RYNUSQKWSA-N 1 0 694.961 6.452 1 0 KKAFRO CC(=O)N[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028330473 561912708 /nfs/dbraw/zinc/91/27/08/561912708.db2.gz RGNTWXUHBNURAO-SKCUWOTOSA-N 1 0 539.507 5.216 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028331746 561912856 /nfs/dbraw/zinc/91/28/56/561912856.db2.gz WDFDGFCIBCYBLV-AREMUKBSSA-N 1 0 513.654 5.687 1 0 KKAFRO COc1cccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3[C@@H]2C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028339009 561913703 /nfs/dbraw/zinc/91/37/03/561913703.db2.gz HORWRIGXBCFCJJ-MGBGTMOVSA-N 1 0 557.735 5.178 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028340862 561914035 /nfs/dbraw/zinc/91/40/35/561914035.db2.gz RHBWUBIPEDYYLY-MHZLTWQESA-N 1 0 523.674 5.361 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347472 561915026 /nfs/dbraw/zinc/91/50/26/561915026.db2.gz FBCOMGDKGBJAAS-UHFFFAOYSA-N 1 0 518.723 5.168 1 0 KKAFRO CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347326 561915098 /nfs/dbraw/zinc/91/50/98/561915098.db2.gz QFLYWGKASFLQGC-UHFFFAOYSA-N 1 0 532.728 6.953 1 0 KKAFRO COc1cc(OC)c(OC)cc1CC(=O)N(C)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356613 561916233 /nfs/dbraw/zinc/91/62/33/561916233.db2.gz WKSITDKVPYKIGT-UHFFFAOYSA-N 1 0 516.682 5.400 1 0 KKAFRO Cc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cs1 ZINC000028363639 561917187 /nfs/dbraw/zinc/91/71/87/561917187.db2.gz FICWIPSXCWFMPN-DEOSSOPVSA-N 1 0 559.642 5.520 1 0 KKAFRO O[C@H](CNc1ccc(Cl)c(Cl)c1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000028364287 561917313 /nfs/dbraw/zinc/91/73/13/561917313.db2.gz YXZQRYUXEJHIIZ-AREMUKBSSA-N 1 0 548.505 6.274 1 0 KKAFRO CO[C@@H]1C[C@@H](C(=S)N2CCC([NH+]3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028367155 561917824 /nfs/dbraw/zinc/91/78/24/561917824.db2.gz YMDLBPBPLQWWAA-NAKRPHOHSA-N 1 0 644.307 5.571 1 0 KKAFRO O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028377806 561919489 /nfs/dbraw/zinc/91/94/89/561919489.db2.gz JBZYNUVBPMFUDV-MUUNZHRXSA-N 1 0 618.576 5.247 1 0 KKAFRO C[C@H]1CCC[N@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028383258 561920576 /nfs/dbraw/zinc/92/05/76/561920576.db2.gz JAYXLGPKVKAOEV-INIZCTEOSA-N 1 0 553.046 6.746 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028383688 561920694 /nfs/dbraw/zinc/92/06/94/561920694.db2.gz FWWRPLWRBAADJX-UHFFFAOYSA-N 1 0 524.992 6.110 1 0 KKAFRO CN(C)CCC[N@H+](C)CCC(=O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028388570 561921685 /nfs/dbraw/zinc/92/16/85/561921685.db2.gz ZQTZXIFUPWWHDG-UHFFFAOYSA-N 1 0 556.050 5.508 1 0 KKAFRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc21 ZINC000028390807 561922283 /nfs/dbraw/zinc/92/22/83/561922283.db2.gz IHFBRYYYBVDFPB-HKBQPEDESA-N 1 0 539.724 6.137 1 0 KKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(Br)cc1 ZINC000028392384 561922570 /nfs/dbraw/zinc/92/25/70/561922570.db2.gz JSPXNEUICDQCRY-UHFFFAOYSA-N 1 0 536.131 5.440 1 0 KKAFRO CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC[NH+](CC)CC)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000028393543 561922775 /nfs/dbraw/zinc/92/27/75/561922775.db2.gz GNYVCXRBLUHBJB-YTTGMZPUSA-N 1 0 558.767 6.445 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccccc3F)c2=O)cc1 ZINC000028461181 561925129 /nfs/dbraw/zinc/92/51/29/561925129.db2.gz QETNWABGPVJCHW-SPTGULJVSA-N 1 0 621.178 6.015 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471852 561927135 /nfs/dbraw/zinc/92/71/35/561927135.db2.gz YCGKTGCKPZIUKH-QFIPXVFZSA-N 1 0 525.524 5.691 1 0 KKAFRO CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C[NH+](C)C)c(OC(C)C)c2)cc1 ZINC000028474675 561927680 /nfs/dbraw/zinc/92/76/80/561927680.db2.gz DVNXBIAPJGIQDY-HKBQPEDESA-N 1 0 541.736 6.474 1 0 KKAFRO COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028477311 561928508 /nfs/dbraw/zinc/92/85/08/561928508.db2.gz STSKLVUCFFVQGJ-RUZDIDTESA-N 1 0 575.562 5.003 1 0 KKAFRO CC(C)(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523121 561929823 /nfs/dbraw/zinc/92/98/23/561929823.db2.gz MBGWRHXILCGPCT-MUUNZHRXSA-N 1 0 529.691 6.353 1 0 KKAFRO CC(C)(C)c1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523122 561929879 /nfs/dbraw/zinc/92/98/79/561929879.db2.gz MBGWRHXILCGPCT-NDEPHWFRSA-N 1 0 529.691 6.353 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ncccc4c3)cs2)cc1 ZINC000028523293 561929997 /nfs/dbraw/zinc/92/99/97/561929997.db2.gz OWXSDNDBFWRRJR-UMSFTDKQSA-N 1 0 620.800 6.616 1 0 KKAFRO CN(C)c1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523419 561930128 /nfs/dbraw/zinc/93/01/28/561930128.db2.gz HEEKPFDTRBATOX-LJAQVGFWSA-N 1 0 505.751 5.863 1 0 KKAFRO COc1ccccc1NC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523630 561930279 /nfs/dbraw/zinc/93/02/79/561930279.db2.gz PJECWHFRADOJNA-DEOSSOPVSA-N 1 0 504.597 5.527 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncccn4)cc3C)cc1)CC2 ZINC000028524137 561930730 /nfs/dbraw/zinc/93/07/30/561930730.db2.gz MYNNKOFZCVIYKH-ZRZAMGCNSA-N 1 0 533.676 5.517 1 0 KKAFRO CC(C)(C)c1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028525322 561931166 /nfs/dbraw/zinc/93/11/66/561931166.db2.gz XHUPGYIZWYDWDS-UMSFTDKQSA-N 1 0 625.860 7.365 1 0 KKAFRO [NH3+]CCCCCCOC[C@@H]1O[C@@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028525968 561931724 /nfs/dbraw/zinc/93/17/24/561931724.db2.gz OTFGCEIHIBCCQZ-BFGQKJOBSA-N 1 0 692.897 7.744 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028528368 561933030 /nfs/dbraw/zinc/93/30/30/561933030.db2.gz ORGLUDXXKOGZIV-BHVANESWSA-N 1 0 594.821 6.835 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(SC)cc2)CC1 ZINC000028528912 561933437 /nfs/dbraw/zinc/93/34/37/561933437.db2.gz HPLNXPONOZSDRJ-WJOKGBTCSA-N 1 0 564.817 5.890 1 0 KKAFRO C[C@]12CC[C@@H](NC(=O)c3cc4ccccc4s3)C[C@@]1(c1cccc(O)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000028529220 561933860 /nfs/dbraw/zinc/93/38/60/561933860.db2.gz MWJUMFLAZVGIOY-RCFSOVDESA-N 1 0 538.757 7.172 1 0 KKAFRO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570524 561938883 /nfs/dbraw/zinc/93/88/83/561938883.db2.gz LKYBAOASTZHANA-UHFFFAOYSA-N 1 0 564.608 6.536 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028528369 561933002 /nfs/dbraw/zinc/93/30/02/561933002.db2.gz ORGLUDXXKOGZIV-PSXMRANNSA-N 1 0 594.821 6.835 1 0 KKAFRO CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000028571944 561939645 /nfs/dbraw/zinc/93/96/45/561939645.db2.gz RQXBPIGIJBKCME-WUFINQPMSA-N 1 0 535.132 5.493 1 0 KKAFRO NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000028640994 561943040 /nfs/dbraw/zinc/94/30/40/561943040.db2.gz RBFFTSAHMSYLAK-UHFFFAOYSA-N 1 0 519.689 5.334 1 0 KKAFRO CC(C)C(=O)Nc1c(F)cc(F)c(C2CC[NH+](CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1F ZINC000028710179 561951088 /nfs/dbraw/zinc/95/10/88/561951088.db2.gz KUQDULHGSFIYPI-UHFFFAOYSA-N 1 0 587.633 6.494 1 0 KKAFRO CN(C)Cc1ncc(C2=CC[C@@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650303 561945907 /nfs/dbraw/zinc/94/59/07/561945907.db2.gz BIFFIEOCGJSJAA-HXUWFJFHSA-N 1 0 506.091 5.563 1 0 KKAFRO C[C@]12CC[C@@H]3c4ccc(OCCCCCCC[n+]5ccc(SCc6ccc(Cl)cc6)cc5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000028655202 561946595 /nfs/dbraw/zinc/94/65/95/561946595.db2.gz JTUWLXPERJLPPV-CGAFRSNVSA-N 1 0 603.292 9.375 1 0 KKAFRO Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702672 561947067 /nfs/dbraw/zinc/94/70/67/561947067.db2.gz QMTYTDODWBWULC-JOCHJYFZSA-N 1 0 570.603 6.433 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[NH+]2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702721 561947164 /nfs/dbraw/zinc/94/71/64/561947164.db2.gz XYDYESRSSYTWAT-HSZRJFAPSA-N 1 0 652.665 6.616 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@@]12C=Cc1ccccc12 ZINC000028702687 561947169 /nfs/dbraw/zinc/94/71/69/561947169.db2.gz RWMKRGFJHUIINF-YOMAFEOISA-N 1 0 608.652 6.860 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702731 561947181 /nfs/dbraw/zinc/94/71/81/561947181.db2.gz JRZCODWVRVCQHW-DEOSSOPVSA-N 1 0 636.662 6.990 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[NH+]2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702747 561947195 /nfs/dbraw/zinc/94/71/95/561947195.db2.gz JRZDQMSADLMGPH-QHCPKHFHSA-N 1 0 627.655 6.060 1 0 KKAFRO O=CNc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702784 561947297 /nfs/dbraw/zinc/94/72/97/561947297.db2.gz QJPYGDWBEWYTTR-QHCPKHFHSA-N 1 0 598.613 6.419 1 0 KKAFRO CN(C)C(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702815 561947303 /nfs/dbraw/zinc/94/73/03/561947303.db2.gz ZLTZAEOIQWFTMQ-DEOSSOPVSA-N 1 0 641.682 6.944 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702912 561947447 /nfs/dbraw/zinc/94/74/47/561947447.db2.gz QWNVTHCYECOXOH-CCNQEERUSA-N 1 0 713.748 7.925 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[NH+]2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702894 561947496 /nfs/dbraw/zinc/94/74/96/561947496.db2.gz GRXIJUNCNWKVJI-SFHVURJKSA-N 1 0 536.542 5.415 1 0 KKAFRO CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704012 561948096 /nfs/dbraw/zinc/94/80/96/561948096.db2.gz IMMJZWRYKWNOHX-UDJVMPNMSA-N 1 0 578.641 7.986 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704021 561948135 /nfs/dbraw/zinc/94/81/35/561948135.db2.gz NYVVWKWXURQMLL-PSVFVGLHSA-N 1 0 604.679 8.376 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704042 561948143 /nfs/dbraw/zinc/94/81/43/561948143.db2.gz PVVAQUKXSCGSNX-GIBFWTLOSA-N 1 0 576.625 7.596 1 0 KKAFRO CCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704066 561948248 /nfs/dbraw/zinc/94/82/48/561948248.db2.gz QVUCDCFWXARAJF-XZAQUTNZSA-N 1 0 528.634 7.106 1 0 KKAFRO O=C(OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028704241 561948526 /nfs/dbraw/zinc/94/85/26/561948526.db2.gz TZFFDBICDWTCQG-AREMUKBSSA-N 1 0 560.160 5.717 1 0 KKAFRO O=C(OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704256 561948591 /nfs/dbraw/zinc/94/85/91/561948591.db2.gz HDJMJCHYMXISAB-RUZDIDTESA-N 1 0 546.133 5.327 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(C(=O)N(CCC)CCC)c1 ZINC000028705229 561949008 /nfs/dbraw/zinc/94/90/08/561949008.db2.gz DFSVSCRNLHQSLH-MPQUPPDSSA-N 1 0 658.884 5.711 1 0 KKAFRO C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028707768 561950216 /nfs/dbraw/zinc/95/02/16/561950216.db2.gz BCDDBRZQYJWIKG-HSZRJFAPSA-N 1 0 534.635 5.957 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CC[NH+](C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 ZINC000028711690 561952313 /nfs/dbraw/zinc/95/23/13/561952313.db2.gz LFPAKVDZPPRUKX-SSEXGKCCSA-N 1 0 630.855 5.069 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711867 561952447 /nfs/dbraw/zinc/95/24/47/561952447.db2.gz RGCRRRXBLPVENP-LJAQVGFWSA-N 1 0 523.681 6.667 1 0 KKAFRO COc1ccc(-n2nc(C(=O)NCCC3CCN(c4cc[nH+]cc4)CC3)c(Br)c2NC(=O)c2ccccc2Cl)cc1 ZINC000028712001 561952630 /nfs/dbraw/zinc/95/26/30/561952630.db2.gz QEIYOSQKAZWSJL-UHFFFAOYSA-N 1 0 637.966 5.981 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712503 561953050 /nfs/dbraw/zinc/95/30/50/561953050.db2.gz RWYXCRGPSKEBSD-UHFFFAOYSA-N 1 0 523.710 5.241 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCC[NH+]1CCCCC1 ZINC000028713454 561953958 /nfs/dbraw/zinc/95/39/58/561953958.db2.gz ZVAVUJMYZHTFDE-SUOHFUSSSA-N 1 0 731.816 5.559 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000028714020 561954466 /nfs/dbraw/zinc/95/44/66/561954466.db2.gz JKTVQQVIVFPXST-UHFFFAOYSA-N 1 0 570.137 5.359 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028770555 561961279 /nfs/dbraw/zinc/96/12/79/561961279.db2.gz XESWSTANEUBVSE-VMHWWVBCSA-N 1 0 678.870 7.354 1 0 KKAFRO CC[NH+](CC)C1CCC(Nc2nc(Nc3cc(Br)cc(Br)c3)nc3ccccc32)CC1 ZINC000028771569 561961513 /nfs/dbraw/zinc/96/15/13/561961513.db2.gz VAZZSZAEUAHBBM-UHFFFAOYSA-N 1 0 547.339 6.963 1 0 KKAFRO C[C@@H]1C[C@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816543 561964204 /nfs/dbraw/zinc/96/42/04/561964204.db2.gz XUGYKOAXOOAKME-LXJBFUPPSA-N 1 0 610.167 6.378 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816528 561964221 /nfs/dbraw/zinc/96/42/21/561964221.db2.gz SAJYZUZYZMJMOG-IAPPQJPRSA-N 1 0 578.150 5.851 1 0 KKAFRO CN1CCC([N@H+](C)C2CCN(C(=O)OC[C@H]3CCC[C@@H](Cc4ccccc4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028816488 561964258 /nfs/dbraw/zinc/96/42/58/561964258.db2.gz XFFPXCKCDGMNFE-XZWHSSHBSA-N 1 0 617.256 5.122 1 0 KKAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817321 561964642 /nfs/dbraw/zinc/96/46/42/561964642.db2.gz UVZYTLSBNQCQLB-BMPTZRATSA-N 1 0 701.877 5.384 1 0 KKAFRO COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028818837 561965356 /nfs/dbraw/zinc/96/53/56/561965356.db2.gz NWNCQMHNUOUGGE-UHFFFAOYSA-N 1 0 502.442 5.765 1 0 KKAFRO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000028822226 561966879 /nfs/dbraw/zinc/96/68/79/561966879.db2.gz KCZAWXOJQPFPIN-KRWDZBQOSA-N 1 0 513.017 5.078 1 0 KKAFRO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000028822227 561966883 /nfs/dbraw/zinc/96/68/83/561966883.db2.gz KCZAWXOJQPFPIN-QGZVFWFLSA-N 1 0 513.017 5.078 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)Cc2ccccc2)CC3)c1 ZINC000028823027 561967713 /nfs/dbraw/zinc/96/77/13/561967713.db2.gz RMDOWFPCWOIZRT-RUZDIDTESA-N 1 0 506.694 5.757 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823400 561967966 /nfs/dbraw/zinc/96/79/66/561967966.db2.gz SZYHKHHKVALGBM-UHFFFAOYSA-N 1 0 517.762 7.190 1 0 KKAFRO CCC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823403 561967992 /nfs/dbraw/zinc/96/79/92/561967992.db2.gz RQNYTCNHUXLHLD-UHFFFAOYSA-N 1 0 573.826 7.783 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(-c4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823419 561968083 /nfs/dbraw/zinc/96/80/83/561968083.db2.gz CWAUPZCOKTXTTA-UHFFFAOYSA-N 1 0 593.860 8.857 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823889 561968576 /nfs/dbraw/zinc/96/85/76/561968576.db2.gz HSIYJWUPHNPTOY-LOSJGSFVSA-N 1 0 549.518 5.061 1 0 KKAFRO COC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](CCCn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824392 561969552 /nfs/dbraw/zinc/96/95/52/561969552.db2.gz PKVMVSXITBYXTM-UHFFFAOYSA-N 1 0 678.774 6.297 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4c3cccc4Cl)CC2)C1 ZINC000028824428 561969670 /nfs/dbraw/zinc/96/96/70/561969670.db2.gz NZFCSAPTKKXGJD-JOCHJYFZSA-N 1 0 636.140 5.262 1 0 KKAFRO C[NH+]1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825261 561970675 /nfs/dbraw/zinc/97/06/75/561970675.db2.gz IKPLBSRJBQJSKZ-UHFFFAOYSA-N 1 0 521.061 6.010 1 0 KKAFRO COc1ccccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC([NH3+])CC2)CC1 ZINC000028826007 561971064 /nfs/dbraw/zinc/97/10/64/561971064.db2.gz PKEDTJCBPAOIAW-JXMROGBWSA-N 1 0 541.780 7.508 1 0 KKAFRO COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1Br ZINC000028826009 561971069 /nfs/dbraw/zinc/97/10/69/561971069.db2.gz GFLHUCRKZNPWGK-UHFFFAOYSA-N 1 0 594.638 7.757 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc43)CC2)CC1 ZINC000028825984 561971080 /nfs/dbraw/zinc/97/10/80/561971080.db2.gz BMQKGKGCMMZMEG-UHFFFAOYSA-N 1 0 609.830 8.421 1 0 KKAFRO COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000028825980 561971092 /nfs/dbraw/zinc/97/10/92/561971092.db2.gz RHHFEVOGRBSEML-UHFFFAOYSA-N 1 0 651.892 8.299 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)COc3ccc4ccccc4c3)CC2)CC1 ZINC000028826093 561971157 /nfs/dbraw/zinc/97/11/57/561971157.db2.gz IKCCMERSPGFYKB-OFWBYEQRSA-N 1 0 545.167 7.794 1 0 KKAFRO COc1cc(C[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c2ccccc12 ZINC000028827104 561971533 /nfs/dbraw/zinc/97/15/33/561971533.db2.gz BCHRCFZHJDSRAB-UHFFFAOYSA-N 1 0 524.640 6.471 1 0 KKAFRO CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879539 561976443 /nfs/dbraw/zinc/97/64/43/561976443.db2.gz XEAMFNQXXHLSLU-AJWZZRBLSA-N 1 0 634.214 5.789 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1 ZINC000028869934 561973986 /nfs/dbraw/zinc/97/39/86/561973986.db2.gz ZDDZCFWJYDZNBA-UHFFFAOYSA-N 1 0 536.119 7.095 1 0 KKAFRO O=C(CCCN1c2ccccc2[C@@H]2C[C@@H]3C[N@@H+](CCCC(=O)c4ccc(F)cc4)CCN3C[C@H]21)c1ccc(F)cc1 ZINC000028872180 561974328 /nfs/dbraw/zinc/97/43/28/561974328.db2.gz TXPXVUNBDQGBPQ-DQQHMPIDSA-N 1 0 557.685 5.953 1 0 KKAFRO COc1ccccc1-c1ccc(CN(CCC2CC[NH+](Cc3ccc(C)cc3)CC2)C(=O)NC(C)C)cc1 ZINC000028874265 561975051 /nfs/dbraw/zinc/97/50/51/561975051.db2.gz WFPGMTZAKWGIIW-UHFFFAOYSA-N 1 0 513.726 6.893 1 0 KKAFRO CC(=O)OCC(C)(C)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000028874298 561975104 /nfs/dbraw/zinc/97/51/04/561975104.db2.gz XJSXNOLZEPZOEZ-UHFFFAOYSA-N 1 0 573.753 6.957 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000028874201 561975114 /nfs/dbraw/zinc/97/51/14/561975114.db2.gz KJZSUZGVKFXXDK-UHFFFAOYSA-N 1 0 513.682 5.178 1 0 KKAFRO CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1 ZINC000028874430 561975216 /nfs/dbraw/zinc/97/52/16/561975216.db2.gz JMGLEPYOGSXELD-UHFFFAOYSA-N 1 0 657.852 6.760 1 0 KKAFRO CC(=O)OCC(C)(C)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000028874327 561975235 /nfs/dbraw/zinc/97/52/35/561975235.db2.gz SOXXEFVJLDGRKP-UHFFFAOYSA-N 1 0 555.763 6.818 1 0 KKAFRO O=C(OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879103 561976219 /nfs/dbraw/zinc/97/62/19/561976219.db2.gz ZIKGOADCTDQKTA-IXCJQBJRSA-N 1 0 596.140 5.990 1 0 KKAFRO [NH3+]CCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825189 561970504 /nfs/dbraw/zinc/97/05/04/561970504.db2.gz ZXVJPSQFMAGYPI-AREMUKBSSA-N 1 0 562.780 5.087 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C5CC5)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889673 561978006 /nfs/dbraw/zinc/97/80/06/561978006.db2.gz KBPLHOJDAIGXOI-ZTOMLWHTSA-N 1 0 575.128 6.450 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@H]4CCC[NH2+]C4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889667 561978019 /nfs/dbraw/zinc/97/80/19/561978019.db2.gz WDBDCRKFWGOAAP-NRFANRHFSA-N 1 0 517.073 5.627 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889654 561978038 /nfs/dbraw/zinc/97/80/38/561978038.db2.gz FXNLHVHHXHWVOF-RXFWQSSRSA-N 1 0 535.063 5.575 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889648 561978066 /nfs/dbraw/zinc/97/80/66/561978066.db2.gz MZINAXOPBUWVQD-IDISGSTGSA-N 1 0 549.090 5.918 1 0 KKAFRO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCc2[nH]cnc2C1 ZINC000028889707 561978196 /nfs/dbraw/zinc/97/81/96/561978196.db2.gz SSTGGHOOVOEJRC-DFBJGRDBSA-N 1 0 558.057 6.109 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCC[NH+]3CCCC3)cc2[nH]c1-c1ccccc1 ZINC000028892287 561978301 /nfs/dbraw/zinc/97/83/01/561978301.db2.gz PACSUZYMICPEQW-HSZRJFAPSA-N 1 0 511.666 5.695 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCCCC[NH+]3CCCCC3)cc2[nH]c1-c1ccccc1 ZINC000028892282 561978308 /nfs/dbraw/zinc/97/83/08/561978308.db2.gz QJGKUEMYSWNJBT-AREMUKBSSA-N 1 0 553.747 6.865 1 0 KKAFRO CC(=O)Nc1ccc(-n2c(=O)c(C[N@H+](CCc3ccc(Cl)cc3)C3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)n2C)cc1 ZINC000028897789 561979366 /nfs/dbraw/zinc/97/93/66/561979366.db2.gz ZDLRYSGGDYFSSN-UHFFFAOYSA-N 1 0 636.143 5.724 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(N(C)C)cc2)n1C ZINC000028897793 561979399 /nfs/dbraw/zinc/97/93/99/561979399.db2.gz FIFOMEQBDSUNLG-UHFFFAOYSA-N 1 0 622.160 5.832 1 0 KKAFRO CC(C)[N@@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@H](O)c1ccccc1 ZINC000028901355 561979862 /nfs/dbraw/zinc/97/98/62/561979862.db2.gz VZWZQSHHQNIRAG-VWLOTQADSA-N 1 0 524.086 5.127 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000028953857 561982625 /nfs/dbraw/zinc/98/26/25/561982625.db2.gz JSDJLJREZXCISB-UHFFFAOYSA-N 1 0 595.592 5.002 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000028959507 561983795 /nfs/dbraw/zinc/98/37/95/561983795.db2.gz BRLTVGDGMKFKFB-UHFFFAOYSA-N 1 0 546.553 5.546 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CC[NH+](CC(C)C)CC3)n2)s1 ZINC000028961203 561984124 /nfs/dbraw/zinc/98/41/24/561984124.db2.gz UQLRUFPUFOVIIF-UHFFFAOYSA-N 1 0 570.641 6.301 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000028961478 561984216 /nfs/dbraw/zinc/98/42/16/561984216.db2.gz LZTJIOCSZOVTNG-UHFFFAOYSA-N 1 0 601.861 5.684 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000028961665 561984321 /nfs/dbraw/zinc/98/43/21/561984321.db2.gz KOUUYMUXBVMCCB-UHFFFAOYSA-N 1 0 630.899 6.448 1 0 KKAFRO CO[C@H]1CCN(C(=O)C2CC[NH+](CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)C1 ZINC000028961701 561984449 /nfs/dbraw/zinc/98/44/49/561984449.db2.gz XNWCMYDECGZYSI-PPUMFKDSSA-N 1 0 630.899 6.446 1 0 KKAFRO C[NH+](C)CCN(c1ccccc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964296 561984796 /nfs/dbraw/zinc/98/47/96/561984796.db2.gz MQMJNTNJZXDLIT-UHFFFAOYSA-N 1 0 567.600 5.493 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CCC(C[NH2+]Cc4ccc5ccccc5c4)CC3)cc2s1)C1CCCCC1 ZINC000028967543 561985251 /nfs/dbraw/zinc/98/52/51/561985251.db2.gz NUAQFEKSVCJEPW-UHFFFAOYSA-N 1 0 540.733 6.610 1 0 KKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 ZINC000028967678 561985322 /nfs/dbraw/zinc/98/53/22/561985322.db2.gz QTQVZWAPILPILI-UHFFFAOYSA-N 1 0 516.026 5.270 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCC1 ZINC000028967810 561985329 /nfs/dbraw/zinc/98/53/29/561985329.db2.gz DGSLFPMHFOWLJO-BJKOFHAPSA-N 1 0 512.679 6.475 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975167 561986443 /nfs/dbraw/zinc/98/64/43/561986443.db2.gz RJECZNRGVJPLSQ-JBRSBNLGSA-N 1 0 587.762 5.495 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]CCc3ccncc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976363 561986841 /nfs/dbraw/zinc/98/68/41/561986841.db2.gz PBWSJHXWVMJUOO-LJAQVGFWSA-N 1 0 535.673 5.321 1 0 KKAFRO NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1 ZINC000029037196 561988396 /nfs/dbraw/zinc/98/83/96/561988396.db2.gz MKCRPVFQAIQPQA-UHFFFAOYSA-N 1 0 567.657 5.017 1 0 KKAFRO O=C(N[C@@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21)c1ccc(F)cc1 ZINC000029038750 561989266 /nfs/dbraw/zinc/98/92/66/561989266.db2.gz PHCUGENQVJPTLC-AREMUKBSSA-N 1 0 500.643 5.217 1 0 KKAFRO C[NH2+]CCC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039284 561989620 /nfs/dbraw/zinc/98/96/20/561989620.db2.gz UIMMMAWUZQUATO-PVHODMMVSA-N 1 0 625.201 5.967 1 0 KKAFRO C[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040055 561990428 /nfs/dbraw/zinc/99/04/28/561990428.db2.gz CDTYHUXYWXPHSM-SFHVURJKSA-N 1 0 510.522 6.427 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC000029041048 561990914 /nfs/dbraw/zinc/99/09/14/561990914.db2.gz LCQVKIHGMHPFIJ-SQHAQQRYSA-N 1 0 556.591 7.121 1 0 KKAFRO Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000029044646 561992264 /nfs/dbraw/zinc/99/22/64/561992264.db2.gz LYYDOKNMJCIZNV-UHFFFAOYSA-N 1 0 516.045 7.080 1 0 KKAFRO COc1cccc2c(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c21 ZINC000029044515 561992320 /nfs/dbraw/zinc/99/23/20/561992320.db2.gz CENWOFBFGDUFIL-PYXUCFPHSA-N 1 0 541.614 5.086 1 0 KKAFRO CC(=O)OC[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029045912 561992701 /nfs/dbraw/zinc/99/27/01/561992701.db2.gz SOFIYRUCAHSTSH-HDJDAXJMSA-N 1 0 553.625 5.648 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cnccn4)c3=O)CC2)C(C)C)c1 ZINC000029064063 561996314 /nfs/dbraw/zinc/99/63/14/561996314.db2.gz IVZMHEWNZZMPTO-LJAQVGFWSA-N 1 0 529.685 5.089 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cccs4)c3=O)CC2)C(C)C)c1 ZINC000029064383 561996326 /nfs/dbraw/zinc/99/63/26/561996326.db2.gz ACRZXWBNBSPSQH-GDLZYMKVSA-N 1 0 533.738 6.360 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(n5cc(-c6cnccn6)cn5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125343 561997433 /nfs/dbraw/zinc/99/74/33/561997433.db2.gz JEBHQRKVJAFLBR-UHFFFAOYSA-N 1 0 571.714 6.007 1 0 KKAFRO [NH3+]CC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125483 561997614 /nfs/dbraw/zinc/99/76/14/561997614.db2.gz QWEIHYUHUYTIJY-UHFFFAOYSA-N 1 0 516.812 5.072 1 0 KKAFRO Nc1ncnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4ncon4)cc3-c3ccccc3)cc2)CC1 ZINC000029125527 561997676 /nfs/dbraw/zinc/99/76/76/561997676.db2.gz SKBAKRCESRVMPS-UHFFFAOYSA-N 1 0 529.608 5.025 1 0 KKAFRO Nc1ncnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nccs4)cc3-c3ccccc3)cc2)CC1 ZINC000029125570 561997789 /nfs/dbraw/zinc/99/77/89/561997789.db2.gz UNXZSCKLZOHNNN-UHFFFAOYSA-N 1 0 544.688 6.098 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125804 561998099 /nfs/dbraw/zinc/99/80/99/561998099.db2.gz BHRZESZXIYBZTH-UHFFFAOYSA-N 1 0 570.726 6.681 1 0 KKAFRO Cc1cc(-c2nc3cc4c(cc3o2)CC[N@H+](CCCSc2nnc(-c3cccc5nc(C)ccc53)n2C)CC4)n(C)n1 ZINC000029126806 561998925 /nfs/dbraw/zinc/99/89/25/561998925.db2.gz XBWBWCMBNYVAKR-UHFFFAOYSA-N 1 0 578.746 5.772 1 0 KKAFRO CN(C)c1ccc([C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029126867 561999122 /nfs/dbraw/zinc/99/91/22/561999122.db2.gz OXZWFXSQRGRPHT-BJPYECMBSA-N 1 0 518.661 5.089 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(C)(F)F)oc5cc4CC3)n2C)n1 ZINC000029126994 561999226 /nfs/dbraw/zinc/99/92/26/561999226.db2.gz MMAVGOXTOMTHGO-UHFFFAOYSA-N 1 0 548.663 6.175 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126960 561999242 /nfs/dbraw/zinc/99/92/42/561999242.db2.gz RCVHDPWYXTVRFR-POZRDHEVSA-N 1 0 554.488 5.786 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CCc3ccc4oc(C(F)(F)C(F)(F)F)nc4c3CC2)n1C ZINC000029127147 561999491 /nfs/dbraw/zinc/99/94/91/561999491.db2.gz VCJRZGBNXMAJCB-UHFFFAOYSA-N 1 0 542.534 5.157 1 0 KKAFRO Cc1nc2ccc3c(c2s1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127483 561999897 /nfs/dbraw/zinc/99/98/97/561999897.db2.gz JOZMHQIYXRYITJ-UHFFFAOYSA-N 1 0 514.724 5.840 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCC[NH+]3CCCC3)C2)cc1 ZINC000029127804 562000238 /nfs/dbraw/zinc/00/02/38/562000238.db2.gz CTYDLPJNEOBCAA-MGBGTMOVSA-N 1 0 592.781 5.442 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C[NH+]3CCC3)C2)cc1 ZINC000029128335 562000891 /nfs/dbraw/zinc/00/08/91/562000891.db2.gz XUHSVEXCUONJNQ-PMERELPUSA-N 1 0 534.701 5.035 1 0 KKAFRO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@@H]2CCC[N@@H+]2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029129944 562002145 /nfs/dbraw/zinc/00/21/45/562002145.db2.gz DHCDUDRKAXLPJS-KCWPFWIISA-N 1 0 608.680 7.322 1 0 KKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000029130397 562002505 /nfs/dbraw/zinc/00/25/05/562002505.db2.gz VGQVERFTHHEIEQ-IUDBTDONSA-N 1 0 528.718 5.494 1 0 KKAFRO COc1cc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc(OC)c1OC ZINC000029222020 562007325 /nfs/dbraw/zinc/00/73/25/562007325.db2.gz PAWNYERCACRCDG-UHFFFAOYSA-N 1 0 581.731 6.358 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 ZINC000029334329 562014096 /nfs/dbraw/zinc/01/40/96/562014096.db2.gz ZBESXVGRVPUTPH-NDEPHWFRSA-N 1 0 558.635 5.209 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC([NH3+])CC1)C(C1CCCCC1)C1CCCCC1 ZINC000029321171 562013111 /nfs/dbraw/zinc/01/31/11/562013111.db2.gz CBEXERXCNKPYLG-AJSMDKCCSA-N 1 0 560.824 5.281 1 0 KKAFRO C[N@H+](C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347138 562016449 /nfs/dbraw/zinc/01/64/49/562016449.db2.gz AQSULLWEJRPAKF-HPBKRHAESA-N 1 0 697.965 6.187 1 0 KKAFRO C[C@@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O)c1cccc2ccccc21 ZINC000029393494 562018006 /nfs/dbraw/zinc/01/80/06/562018006.db2.gz COUJFDKQCHWQLT-PCLMVKJGSA-N 1 0 641.665 6.349 1 0 KKAFRO CCOC(=O)C1=C(COCC[N@H+](C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029405647 562020600 /nfs/dbraw/zinc/02/06/00/562020600.db2.gz ZZNMZUHUNNQAKO-HGKLSIKASA-N 1 0 513.034 5.280 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCc3ccccc3)cc2)C1=O ZINC000029408098 562021071 /nfs/dbraw/zinc/02/10/71/562021071.db2.gz TYUBDZBJEJPQFY-WJOKGBTCSA-N 1 0 589.740 5.055 1 0 KKAFRO Cc1ccc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@@H]2CCCC[NH2+]2)cc1C ZINC000029461817 562023259 /nfs/dbraw/zinc/02/32/59/562023259.db2.gz JWTNLMHCFUVQFQ-IBGZPJMESA-N 1 0 509.050 6.073 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029464070 562023673 /nfs/dbraw/zinc/02/36/73/562023673.db2.gz IDBKGTFOVFGQBA-HXUWFJFHSA-N 1 0 547.059 6.223 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C(C)C)C(C)C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029466283 562024400 /nfs/dbraw/zinc/02/44/00/562024400.db2.gz WHRZIVXJZOCRBF-UHFFFAOYSA-N 1 0 524.753 7.261 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC000029468727 562025114 /nfs/dbraw/zinc/02/51/14/562025114.db2.gz GFTWFKGCSFRFOV-XDZVQPMWSA-N 1 0 555.801 5.025 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469741 562025336 /nfs/dbraw/zinc/02/53/36/562025336.db2.gz TYZXLZNJKGHJKW-LIXKGTLCSA-N 1 0 610.639 7.057 1 0 KKAFRO O=C(Nc1ccccc1)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000029477676 562026653 /nfs/dbraw/zinc/02/66/53/562026653.db2.gz MPMFVZNVKBJSHG-UHFFFAOYSA-N 1 0 549.690 6.791 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[NH2+]CC4CCCC4)n3c2=O)c1 ZINC000029478202 562026755 /nfs/dbraw/zinc/02/67/55/562026755.db2.gz ULAJWNHHPQVBMX-UHFFFAOYSA-N 1 0 530.688 6.245 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3cccc(O)c32)CC1 ZINC000029482694 562027637 /nfs/dbraw/zinc/02/76/37/562027637.db2.gz GSNPAGWMWDVUGK-CSKARUKUSA-N 1 0 500.470 6.360 1 0 KKAFRO O=C1NCN(c2ccc(Cl)cc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029488689 562028957 /nfs/dbraw/zinc/02/89/57/562028957.db2.gz GUYQNPWJAWKVHB-UHFFFAOYSA-N 1 0 511.016 5.575 1 0 KKAFRO O=C([C@H](COCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccccc1)N1CCC2(CCc3ccccc32)CC1 ZINC000029489328 562029054 /nfs/dbraw/zinc/02/90/54/562029054.db2.gz NWOPKTPNIIHJFE-NDEPHWFRSA-N 1 0 523.504 6.175 1 0 KKAFRO COc1ccc(C(=O)N(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)C(=O)c2ccc(OC)cc2)cc1 ZINC000029560836 562033055 /nfs/dbraw/zinc/03/30/55/562033055.db2.gz BPFQOJVEVKXGPR-UHFFFAOYSA-N 1 0 635.740 6.100 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccc(F)nc1 ZINC000029547414 562030203 /nfs/dbraw/zinc/03/02/03/562030203.db2.gz GTEWXLJJIHDOQF-HXBMFNGISA-N 1 0 697.848 6.888 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnccn1 ZINC000029551245 562031065 /nfs/dbraw/zinc/03/10/65/562031065.db2.gz YQUSWOSVIIKXSL-JSMBFNCYSA-N 1 0 680.846 6.144 1 0 KKAFRO CN(C(=O)[C@@H]1CCc2c(Br)sc3cccc1c32)[C@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000029553892 562031704 /nfs/dbraw/zinc/03/17/04/562031704.db2.gz WPDLVWOUMWRXIF-DROMZSTPSA-N 1 0 517.533 5.718 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)c(Cl)c4)nc3n2)CC1 ZINC000029553899 562031706 /nfs/dbraw/zinc/03/17/06/562031706.db2.gz NGLCMTJPGDJNOW-UHFFFAOYSA-N 1 0 634.399 6.999 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556403 562032231 /nfs/dbraw/zinc/03/22/31/562032231.db2.gz MMLGLMNYHUOLBO-PMERELPUSA-N 1 0 550.677 5.188 1 0 KKAFRO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029560322 562032912 /nfs/dbraw/zinc/03/29/12/562032912.db2.gz FKTJGLWQLNELFW-RFBVRTEBSA-N 1 0 522.667 5.439 1 0 KKAFRO CCCCNC(=O)Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562631 562033517 /nfs/dbraw/zinc/03/35/17/562033517.db2.gz UTRDIHDNZUULJM-UHFFFAOYSA-N 1 0 543.687 6.231 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccc(C)c2c1 ZINC000029566273 562034479 /nfs/dbraw/zinc/03/44/79/562034479.db2.gz IJQXIYANWHOYEK-UUWRZZSWSA-N 1 0 557.182 7.585 1 0 KKAFRO Fc1ccc(C(c2ccc(F)cc2)n2c3ccccc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029568272 562034892 /nfs/dbraw/zinc/03/48/92/562034892.db2.gz XECCKBJGPOXPGM-UHFFFAOYSA-N 1 0 522.643 7.071 1 0 KKAFRO COc1cc(CN(c2ccccc2)C2CC[NH+](C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cc(OC)c1OC ZINC000029568312 562034901 /nfs/dbraw/zinc/03/49/01/562034901.db2.gz XNIKKAIOXIWPDI-UHFFFAOYSA-N 1 0 602.776 5.129 1 0 KKAFRO COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633578 562039231 /nfs/dbraw/zinc/03/92/31/562039231.db2.gz YSQMDAMVSWNHJK-NDEPHWFRSA-N 1 0 590.573 6.285 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 ZINC000029570038 562035396 /nfs/dbraw/zinc/03/53/96/562035396.db2.gz NBFWPPOLIJRMER-LJAQVGFWSA-N 1 0 612.802 6.753 1 0 KKAFRO Cc1ccc(OP(=O)(Oc2ccc(C)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633577 562039273 /nfs/dbraw/zinc/03/92/73/562039273.db2.gz AJFSGDNYRDNGAP-MUUNZHRXSA-N 1 0 558.575 6.885 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037523 /nfs/dbraw/zinc/03/75/23/562037523.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 1 0 504.650 5.012 1 0 KKAFRO CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\C[NH+](C)C ZINC000033974761 562037933 /nfs/dbraw/zinc/03/79/33/562037933.db2.gz VSVORQIMRUVRPE-MMPYLIGOSA-N 1 0 526.743 6.159 1 0 KKAFRO COc1ccc(OC[C@H]2Cc3c(c4c(nc3-c3ccccc3)CC[N@H+](CCOc3ccccc3)C4)CO2)cc1 ZINC000034148381 562038307 /nfs/dbraw/zinc/03/83/07/562038307.db2.gz RFICEULJUUXYDG-MUUNZHRXSA-N 1 0 522.645 5.715 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000034314930 562038666 /nfs/dbraw/zinc/03/86/66/562038666.db2.gz ZTBGLXWPXRXVOK-NRSKXHDUSA-N 1 0 515.698 5.002 1 0 KKAFRO CC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633589 562039393 /nfs/dbraw/zinc/03/93/93/562039393.db2.gz QBCVNXNNSIULEF-JGCGQSQUSA-N 1 0 614.683 8.515 1 0 KKAFRO CC(=O)OC[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000034689170 562039643 /nfs/dbraw/zinc/03/96/43/562039643.db2.gz LSDCEJWALDHZKK-CMTCRBLHSA-N 1 0 531.656 5.871 1 0 KKAFRO CC(C)(C)CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034717874 562040019 /nfs/dbraw/zinc/04/00/19/562040019.db2.gz QGUNYNMPFKIKBH-KXQOOQHDSA-N 1 0 754.953 11.696 1 0 KKAFRO O=C(CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000034802119 562041727 /nfs/dbraw/zinc/04/17/27/562041727.db2.gz AFAZXESEAHMGAC-BMSWWXRLSA-N 1 0 712.118 5.440 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CC)CC)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802892 562042233 /nfs/dbraw/zinc/04/22/33/562042233.db2.gz FECDQOVTVPBBHS-UHFFFAOYSA-N 1 0 500.683 6.799 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cccnc3)cn2)cc1 ZINC000034802928 562042238 /nfs/dbraw/zinc/04/22/38/562042238.db2.gz SQDHZTIBRZBSDS-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(CC(=O)OC)cc3)cc2)C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000034802983 562042384 /nfs/dbraw/zinc/04/23/84/562042384.db2.gz ALYUYVFLAGJFDX-UHFFFAOYSA-N 1 0 582.829 7.955 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCCc3ccccc3)cc2)n1 ZINC000034804039 562042878 /nfs/dbraw/zinc/04/28/78/562042878.db2.gz SWHHZDKUVIBHIF-LJAQVGFWSA-N 1 0 597.716 5.020 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804121 562042924 /nfs/dbraw/zinc/04/29/24/562042924.db2.gz UIHDKMQRDLGFQA-VGSWGCGISA-N 1 0 501.515 5.546 1 0 KKAFRO CC1CC[NH+](CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000034804179 562042952 /nfs/dbraw/zinc/04/29/52/562042952.db2.gz LMXHEPMINMFJIS-QFIPXVFZSA-N 1 0 501.515 5.403 1 0 KKAFRO Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000035262590 562044952 /nfs/dbraw/zinc/04/49/52/562044952.db2.gz WLIORDNTJDEFAZ-MUUNZHRXSA-N 1 0 520.681 5.039 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000035050551 562044540 /nfs/dbraw/zinc/04/45/40/562044540.db2.gz OCYYYXWLRMUURD-GDZAYFCTSA-N 1 0 521.101 5.102 1 0 KKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCn2c3ccccc3c3c2CN(CCc2ccccn2)CC3)CC1 ZINC000036093022 562047117 /nfs/dbraw/zinc/04/71/17/562047117.db2.gz QUSHWYMMZWAFBH-UHFFFAOYSA-N 1 0 529.128 5.664 1 0 KKAFRO O=c1nc(NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000036126651 562047601 /nfs/dbraw/zinc/04/76/01/562047601.db2.gz PHCHRPWAMGPRTQ-UHFFFAOYSA-N 1 0 500.952 5.842 1 0 KKAFRO O=c1cc(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1Cc1ccccc1 ZINC000036126671 562047615 /nfs/dbraw/zinc/04/76/15/562047615.db2.gz JFKJLEGVSYQSFA-UHFFFAOYSA-N 1 0 502.014 5.508 1 0 KKAFRO COC(=O)c1ccc(Sc2ccc(NC(=O)c3ccc(C(=[NH2+])N(C)C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC000036126785 562047626 /nfs/dbraw/zinc/04/76/26/562047626.db2.gz FTODRPKUIDSQRH-UHFFFAOYSA-N 1 0 588.089 6.064 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2N2CCCCC2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000036126790 562047757 /nfs/dbraw/zinc/04/77/57/562047757.db2.gz BJKBLXBZYXGWIS-UHFFFAOYSA-N 1 0 535.048 5.125 1 0 KKAFRO CN(C)C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036140670 562048002 /nfs/dbraw/zinc/04/80/02/562048002.db2.gz SDQYFCQKLHFFCE-NZGPDINHSA-N 1 0 530.672 5.397 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000036140652 562048035 /nfs/dbraw/zinc/04/80/35/562048035.db2.gz GGBQHCPYXMONLA-IPQUOWEQSA-N 1 0 553.684 5.030 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]C3CCC(C)(C)CC3)C2)C1 ZINC000036151841 562048242 /nfs/dbraw/zinc/04/82/42/562048242.db2.gz PUSSNOHHCKDXMM-RPWUZVMVSA-N 1 0 576.729 6.333 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000036161706 562048898 /nfs/dbraw/zinc/04/88/98/562048898.db2.gz LQXRODXTSWTMOG-WJOKGBTCSA-N 1 0 541.717 5.552 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175780 562048978 /nfs/dbraw/zinc/04/89/78/562048978.db2.gz WSACYBAWHVTHKU-NRFANRHFSA-N 1 0 549.083 6.830 1 0 KKAFRO CC[NH+](CC)CCCOc1ccccc1[C@H](C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175760 562048982 /nfs/dbraw/zinc/04/89/82/562048982.db2.gz RDQGKWOYWXMOBW-FQEVSTJZSA-N 1 0 537.072 6.685 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(NC(=O)c4cc5ccccc5n4C)ccc3C)ncn2)cc1 ZINC000036187633 562050742 /nfs/dbraw/zinc/05/07/42/562050742.db2.gz DNVXFBCUKVIKEI-UHFFFAOYSA-N 1 0 620.758 6.662 1 0 KKAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(C2CCCCC2)C2CCCCC2)CC1 ZINC000036285053 562053765 /nfs/dbraw/zinc/05/37/65/562053765.db2.gz KAYOLOIWDZIKIR-CQTOTRCISA-N 1 0 605.267 6.468 1 0 KKAFRO CC(C)CC(CC(C)C)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036285040 562053817 /nfs/dbraw/zinc/05/38/17/562053817.db2.gz YZKIIYBZAZLMCC-BHBYDHKZSA-N 1 0 553.191 5.399 1 0 KKAFRO CC[C@H](C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285426 562054083 /nfs/dbraw/zinc/05/40/83/562054083.db2.gz DISYLWQACBWOEF-UPCLLVRISA-N 1 0 516.435 6.340 1 0 KKAFRO CC(C)C[C@H](NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285416 562054089 /nfs/dbraw/zinc/05/40/89/562054089.db2.gz JKCHNCUBXBYAJL-QHCPKHFHSA-N 1 0 573.487 5.456 1 0 KKAFRO CC[NH2+][C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285536 562054229 /nfs/dbraw/zinc/05/42/29/562054229.db2.gz FRQSZTDDUHFPSM-DEOSSOPVSA-N 1 0 544.489 6.990 1 0 KKAFRO CC[C@@H](C)[C@H](NC[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285464 562054249 /nfs/dbraw/zinc/05/42/49/562054249.db2.gz RUOYYZYZPAEQIU-RYTUXRKISA-N 1 0 573.531 6.318 1 0 KKAFRO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285488 562054278 /nfs/dbraw/zinc/05/42/78/562054278.db2.gz BRQIREOLULHPMR-UGDMGKLASA-N 1 0 606.560 8.171 1 0 KKAFRO COc1ccc(OC)c(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285552 562054280 /nfs/dbraw/zinc/05/42/80/562054280.db2.gz SJXJCPIMFNOZGO-QHCPKHFHSA-N 1 0 507.597 5.050 1 0 KKAFRO CC[C@H](C)[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285640 562054318 /nfs/dbraw/zinc/05/43/18/562054318.db2.gz TUVLNWRHXNOMHI-LGONNFHISA-N 1 0 599.569 6.722 1 0 KKAFRO CC[C@@H](C)[C@H](NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285645 562054337 /nfs/dbraw/zinc/05/43/37/562054337.db2.gz PRWVJUJCHUHVLU-QUGAMOGWSA-N 1 0 573.487 5.456 1 0 KKAFRO COc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1F ZINC000036285789 562054525 /nfs/dbraw/zinc/05/45/25/562054525.db2.gz DBWFLNVXJGCWNG-JPYJTQIMSA-N 1 0 509.588 5.426 1 0 KKAFRO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000036285962 562054540 /nfs/dbraw/zinc/05/45/40/562054540.db2.gz XUJDLIZJTLPXCX-RNZSSPBHSA-N 1 0 574.253 8.558 1 0 KKAFRO [NH3+]CCN[C@@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285815 562054545 /nfs/dbraw/zinc/05/45/45/562054545.db2.gz OMCXUMCRYQFZNQ-NDEPHWFRSA-N 1 0 573.540 5.220 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)c1)c1ccccc1 ZINC000036338418 562057027 /nfs/dbraw/zinc/05/70/27/562057027.db2.gz SDHHOFBLTRTNNH-AHWVRZQESA-N 1 0 516.605 5.248 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)c1)c1ccc(F)cc1 ZINC000036338405 562057032 /nfs/dbraw/zinc/05/70/32/562057032.db2.gz CAQXAJWFVJDJDE-OZXSUGGESA-N 1 0 534.595 5.387 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Br)cc1 ZINC000036338852 562057241 /nfs/dbraw/zinc/05/72/41/562057241.db2.gz VJRMARZDCXLFER-UHFFFAOYSA-N 1 0 591.579 5.883 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 ZINC000036349194 562057856 /nfs/dbraw/zinc/05/78/56/562057856.db2.gz KZEQFCJODZNZJF-GDLZYMKVSA-N 1 0 563.681 5.351 1 0 KKAFRO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351491 562058467 /nfs/dbraw/zinc/05/84/67/562058467.db2.gz QWGSMTMVLWLWGB-ZEQRLZLVSA-N 1 0 574.692 5.337 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC000036351588 562058673 /nfs/dbraw/zinc/05/86/73/562058673.db2.gz PJQXCBUXJURXMB-WDYNHAJCSA-N 1 0 570.700 6.225 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@H+](C)CC3CC3)C2)C1 ZINC000036351601 562058729 /nfs/dbraw/zinc/05/87/29/562058729.db2.gz YRPXNFLASWIRDT-FTJBHMTQSA-N 1 0 528.619 5.055 1 0 KKAFRO COc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351639 562058784 /nfs/dbraw/zinc/05/87/84/562058784.db2.gz HAMYAGGBQVFQLR-UMSFTDKQSA-N 1 0 592.611 7.862 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]CCCC5CCCCC5)C4)C3)s2)cc1 ZINC000036351708 562058951 /nfs/dbraw/zinc/05/89/51/562058951.db2.gz HSBYKICVURQRFP-IZLXSDGUSA-N 1 0 550.813 6.268 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccc[nH]3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351685 562058977 /nfs/dbraw/zinc/05/89/77/562058977.db2.gz BCSNLJDMKOJVES-WJOKGBTCSA-N 1 0 551.562 7.181 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]CCCC5CCCCC5)C4)C3)cc2)cc1 ZINC000036351676 562059002 /nfs/dbraw/zinc/05/90/02/562059002.db2.gz BKJYQQRANKWXBS-ZWXJPIIXSA-N 1 0 544.784 6.207 1 0 KKAFRO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000036352002 562059518 /nfs/dbraw/zinc/05/95/18/562059518.db2.gz WCKZXUZPEYGEII-LEWJYISDSA-N 1 0 525.524 6.209 1 0 KKAFRO CC[NH2+]C1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000036520207 562061128 /nfs/dbraw/zinc/06/11/28/562061128.db2.gz SVHKZTWQMXJLAD-UHFFFAOYSA-N 1 0 504.849 5.205 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(C(F)(F)F)c2)=[NH+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000038139877 562062719 /nfs/dbraw/zinc/06/27/19/562062719.db2.gz MSNZNRJVSMMQIV-VWLOTQADSA-N 1 0 561.526 6.874 3 0 KKAFRO CCn1c(=O)/c(=C/C=C2/Sc3ccc4ccccc4c3N2CC)s/c1=C/c1sc2ccc3ccccc3c2[n+]1CC ZINC000038146311 562065180 /nfs/dbraw/zinc/06/51/80/562065180.db2.gz QGATWISGZCKMMT-HNXTVNFMSA-N 1 0 592.835 6.841 1 0 KKAFRO CCn1c(=O)/c(=C2/Sc3ccc4ccccc4c3N2C)s/c1=C/c1sc2c(ccc3ccccc23)[n+]1CC ZINC000038146407 562065231 /nfs/dbraw/zinc/06/52/31/562065231.db2.gz DFEUBRUFFWKQBD-OWWNRXNESA-N 1 0 552.770 5.895 1 0 KKAFRO C[C@H]1C[N@H+](CCOc2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147754 562065642 /nfs/dbraw/zinc/06/56/42/562065642.db2.gz YVUQYAODMCZCJN-IAMOZKFWSA-N 1 0 512.694 5.676 1 0 KKAFRO CC(C)CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150644 562066450 /nfs/dbraw/zinc/06/64/50/562066450.db2.gz GBYYUEIXEOYDDW-RRPNLBNLSA-N 1 0 522.686 5.175 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)C)c2)CC1 ZINC000038157771 562069442 /nfs/dbraw/zinc/06/94/42/562069442.db2.gz BDQQVPFAZDRHQD-UUWRZZSWSA-N 1 0 638.896 5.695 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccccc3F)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157899 562069777 /nfs/dbraw/zinc/06/97/77/562069777.db2.gz LONQQIRBANTCGH-UHFFFAOYSA-N 1 0 524.055 6.747 1 0 KKAFRO COc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157902 562069851 /nfs/dbraw/zinc/06/98/51/562069851.db2.gz JNPUVFZNZDXFQS-UHFFFAOYSA-N 1 0 536.091 6.617 1 0 KKAFRO COc1cc2c(cc1OCCN1CCC([NH+]3CCCCC3)CC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000038407735 562071869 /nfs/dbraw/zinc/07/18/69/562071869.db2.gz SVMFVBLTPFXHIU-MDZDMXLPSA-N 1 0 524.105 5.280 1 0 KKAFRO CC(C)[C@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(F)cc1 ZINC000038407595 562071881 /nfs/dbraw/zinc/07/18/81/562071881.db2.gz JFAGQDWVZLDBSM-AREMUKBSSA-N 1 0 521.036 5.426 1 0 KKAFRO CC(C)[NH2+]Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040379618 562073246 /nfs/dbraw/zinc/07/32/46/562073246.db2.gz SLRZZCQCPZDTTA-UHFFFAOYSA-N 1 0 505.466 6.971 1 0 KKAFRO COC(=O)C1CC[NH+](CCOc2ccc([C@]3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 ZINC000040408197 562075043 /nfs/dbraw/zinc/07/50/43/562075043.db2.gz IZWWWUWUHNOEGL-WJOKGBTCSA-N 1 0 518.629 5.121 1 0 KKAFRO O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccn(-c3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC000040406923 562075094 /nfs/dbraw/zinc/07/50/94/562075094.db2.gz KNFCUBWPKYSSNK-UHFFFAOYSA-N 1 0 507.940 5.189 1 0 in-vivo KKAFRO CCCC(=O)O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040422529 562076036 /nfs/dbraw/zinc/07/60/36/562076036.db2.gz PKJFMEUKMLOSSK-HKBQPEDESA-N 1 0 535.679 6.065 1 0 KKAFRO COC[C@@H]1CCC[N@@H+](C2CCN(c3nc4cc(OC)c(OC)cc4c(Nc4ccc(Cl)cc4)n3)CC2)C1 ZINC000040424251 562076386 /nfs/dbraw/zinc/07/63/86/562076386.db2.gz IUJUWXIRDRYWGN-LJQANCHMSA-N 1 0 526.081 5.371 1 0 KKAFRO FC(F)(F)c1ccc2c(N[C@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)cc[nH+]c2c1 ZINC000040425086 562076564 /nfs/dbraw/zinc/07/65/64/562076564.db2.gz JZJOVKWLPXFEDD-HHHXNRCGSA-N 1 0 511.975 6.941 1 0 KKAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430780 562076859 /nfs/dbraw/zinc/07/68/59/562076859.db2.gz WOMWTCFFKLQKJG-OAQYLSRUSA-N 1 0 512.054 5.124 1 0 KKAFRO c1ccc(COc2cccc3c2n[nH]c3-c2nc3cc(N4CCC([NH+]5CCCCC5)CC4)ccc3[nH]2)cc1 ZINC000040762852 562079429 /nfs/dbraw/zinc/07/94/29/562079429.db2.gz UIKVMQIVWDEOSV-UHFFFAOYSA-N 1 0 506.654 6.140 1 0 KKAFRO NC(=O)c1ccc(C2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@H+]3C(c2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000040877728 562082301 /nfs/dbraw/zinc/08/23/01/562082301.db2.gz ZPKYWTWGQSMCDF-GJOKYCCCSA-N 1 0 508.449 5.232 1 0 KKAFRO CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000040863507 562081045 /nfs/dbraw/zinc/08/10/45/562081045.db2.gz AROUWIMOXIPEQX-IRPSRAIASA-N 1 0 504.700 5.029 1 0 KKAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C(C)C)CC1 ZINC000040864157 562081157 /nfs/dbraw/zinc/08/11/57/562081157.db2.gz SVFWXPKDJMPRAO-RSXGOPAZSA-N 1 0 506.518 5.331 1 0 KKAFRO CCC[NH+]1CCC(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccsc4C(N)=O)n3)c(OC)c2)CC1 ZINC000040865159 562081171 /nfs/dbraw/zinc/08/11/71/562081171.db2.gz MMNHSQXMGMJMBM-UHFFFAOYSA-N 1 0 505.648 5.204 1 0 KKAFRO COC(=O)[C@@](CCC[N@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040881101 562082585 /nfs/dbraw/zinc/08/25/85/562082585.db2.gz PPUATJSILURJNL-MUUNZHRXSA-N 1 0 528.535 6.354 1 0 KKAFRO Cc1ccc(C[NH2+][C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)o1 ZINC000040893439 562082922 /nfs/dbraw/zinc/08/29/22/562082922.db2.gz SRVDVWZPQCJMEN-VWLOTQADSA-N 1 0 504.552 7.092 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccncc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040899051 562083283 /nfs/dbraw/zinc/08/32/83/562083283.db2.gz CMBJQLGVMBRAFD-SANMLTNESA-N 1 0 501.552 6.585 1 0 KKAFRO COC(=O)C1CC[NH+](CCOc2ccc([C@@]3(C)c4ccc(O)cc4CCN3c3ccc(Cl)cc3)cc2)CC1 ZINC000040916327 562083979 /nfs/dbraw/zinc/08/39/79/562083979.db2.gz XIXCVRPUCLFZKK-HKBQPEDESA-N 1 0 535.084 5.636 1 0 KKAFRO COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5c[nH+]ccc5c4)CC3)nc2-c2ccc(C)cc2)c1 ZINC000040917932 562084176 /nfs/dbraw/zinc/08/41/76/562084176.db2.gz FSYHXNXAVQZWOZ-UHFFFAOYSA-N 1 0 503.606 5.367 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccccc1F ZINC000042805795 562089299 /nfs/dbraw/zinc/08/92/99/562089299.db2.gz LDZBSDCWTSEVQR-UHFFFAOYSA-N 1 0 555.654 5.252 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951821 562086138 /nfs/dbraw/zinc/08/61/38/562086138.db2.gz KIMKESVEZODZRF-LADGPHEKSA-N 1 0 526.690 6.012 1 0 KKAFRO CC[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040956526 562086746 /nfs/dbraw/zinc/08/67/46/562086746.db2.gz GWYSPLBUEQXDCT-OOIKZJQMSA-N 1 0 508.547 5.940 1 0 KKAFRO CCCCc1nc(C)c(C[NH+]2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)s1 ZINC000040957459 562086778 /nfs/dbraw/zinc/08/67/78/562086778.db2.gz IRRYYNVBCQAKPR-UHFFFAOYSA-N 1 0 501.744 6.957 1 0 KKAFRO O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3)c1ccc(-c2ccccc2)cc1 ZINC000040974507 562087046 /nfs/dbraw/zinc/08/70/46/562087046.db2.gz YDCPNEXWIXJQQB-PNIVXLCQSA-N 1 0 507.674 6.546 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1 ZINC000040974254 562087099 /nfs/dbraw/zinc/08/70/99/562087099.db2.gz LBPSWVGVKWEHLP-IWHLBADBSA-N 1 0 526.137 5.463 1 0 KKAFRO CC(=O)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975802 562087147 /nfs/dbraw/zinc/08/71/47/562087147.db2.gz BOLNQVYXWUWJJK-PMERELPUSA-N 1 0 507.625 5.805 1 0 KKAFRO CC(C)[NH+]1CCC(Oc2ccc3c(cc(C(=O)N4CCC(F)(F)CC4)n3S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000042806812 562089949 /nfs/dbraw/zinc/08/99/49/562089949.db2.gz JJUXTBHSVHDWIR-UHFFFAOYSA-N 1 0 563.642 5.140 1 0 KKAFRO CCCC(=O)C1OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1CC4 ZINC000103572813 560051999 /nfs/dbraw/zinc/05/19/99/560051999.db2.gz XKLVQJKXZLYAHW-HOUKKHPBSA-N 1 0 571.758 7.185 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532588 560072572 /nfs/dbraw/zinc/07/25/72/560072572.db2.gz ORDDGGLGLOHOAM-DSYZKSCBSA-N 1 0 525.730 6.360 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCC(C)C)[C@H]2[C@@H]1C ZINC000085532482 560072621 /nfs/dbraw/zinc/07/26/21/560072621.db2.gz HBJUWRKDFKXKQF-DHUYFIOBSA-N 1 0 547.736 6.295 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532323 560073013 /nfs/dbraw/zinc/07/30/13/560073013.db2.gz BPMOQJZNQVBZRS-YWNAONHFSA-N 1 0 579.778 5.745 1 0 biogenic,in-vitro KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000043022221 562644991 /nfs/dbraw/zinc/64/49/91/562644991.db2.gz CHRSFJCSCLETLV-SANMLTNESA-N 1 0 514.567 6.146 1 0 KKAFRO C[NH+](C)CCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1 ZINC000043062458 562645194 /nfs/dbraw/zinc/64/51/94/562645194.db2.gz OWJWKROFVJCUFG-UHFFFAOYSA-N 1 0 604.608 6.990 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2Nc1cc[nH+]cc1 ZINC000043062840 562645257 /nfs/dbraw/zinc/64/52/57/562645257.db2.gz ARDFJNKJVAVUOF-FMIVXFBMSA-N 1 0 515.499 6.172 1 0 KKAFRO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1 ZINC000043067512 562645388 /nfs/dbraw/zinc/64/53/88/562645388.db2.gz SFVQYLYTYFEWFD-UHFFFAOYSA-N 1 0 511.375 5.726 1 0 KKAFRO CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C)[nH+]1 ZINC000043073339 562645621 /nfs/dbraw/zinc/64/56/21/562645621.db2.gz REEBEXNBKISNAZ-GAJHUEQPSA-N 1 0 501.900 7.240 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccccc1)c1ccccn1 ZINC000043120043 562646037 /nfs/dbraw/zinc/64/60/37/562646037.db2.gz UWQWKEPZJZVFAV-SSEXGKCCSA-N 1 0 532.610 6.399 1 0 KKAFRO Cc1nc(N2CCCCC2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043121636 562646164 /nfs/dbraw/zinc/64/61/64/562646164.db2.gz QJXBLXXUHUHCPI-MHECFPHRSA-N 1 0 513.911 7.018 1 0 KKAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1 ZINC000043129667 562646299 /nfs/dbraw/zinc/64/62/99/562646299.db2.gz KXYWDZHSCSOAGU-MUUNZHRXSA-N 1 0 579.693 6.746 1 0 KKAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170091 562646502 /nfs/dbraw/zinc/64/65/02/562646502.db2.gz ZVFXNLFEOUJYLZ-BHVANESWSA-N 1 0 633.728 5.262 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1 ZINC000043205436 562646984 /nfs/dbraw/zinc/64/69/84/562646984.db2.gz ONGQTEYIIKGJGV-MHZLTWQESA-N 1 0 597.847 6.383 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1 ZINC000043205432 562646999 /nfs/dbraw/zinc/64/69/99/562646999.db2.gz QRZGIZWNQIUSQZ-NDEPHWFRSA-N 1 0 592.806 5.717 1 0 KKAFRO CC(C)([NH3+])C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc54)c(Cl)c3)c21 ZINC000043208438 562647146 /nfs/dbraw/zinc/64/71/46/562647146.db2.gz AVHNHPHSQMBYAJ-UHFFFAOYSA-N 1 0 522.034 5.084 1 0 KKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000043409145 562648244 /nfs/dbraw/zinc/64/82/44/562648244.db2.gz XJOVMPCYKJTZJT-UHFFFAOYSA-N 1 0 543.654 6.961 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043450355 562648543 /nfs/dbraw/zinc/64/85/43/562648543.db2.gz BGOXVMFCSBFTSC-BVAGGSTKSA-N 1 0 584.602 6.267 1 0 KKAFRO C[C@H](c1ccc(C(=O)c2ccccc2)cc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043532260 562649300 /nfs/dbraw/zinc/64/93/00/562649300.db2.gz YTFQQHHEZZQZGZ-AREMUKBSSA-N 1 0 603.184 7.392 1 0 KKAFRO COC(=O)C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043543827 562649448 /nfs/dbraw/zinc/64/94/48/562649448.db2.gz UCAVKEAIPYYIJW-OAQYLSRUSA-N 1 0 544.536 5.789 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CC[NH+](C3CCCCC3)CC2)nn1)OC1CCCC1 ZINC000043543953 562649554 /nfs/dbraw/zinc/64/95/54/562649554.db2.gz IVJFLKDIRCERHH-HEVIKAOCSA-N 1 0 584.809 5.792 1 0 KKAFRO CCN(CC)C(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CC[NH+](C)CC2)c1 ZINC000043649332 562650613 /nfs/dbraw/zinc/65/06/13/562650613.db2.gz GWNMKDSFGVSLFZ-UHFFFAOYSA-N 1 0 618.642 5.154 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000043649687 562650648 /nfs/dbraw/zinc/65/06/48/562650648.db2.gz WBCREXFMPRZZOH-UHFFFAOYSA-N 1 0 537.647 6.373 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CC(c1ccccc1)c1ccccc1 ZINC000044018336 562651499 /nfs/dbraw/zinc/65/14/99/562651499.db2.gz VRPQAMNHYIYBFL-MGBGTMOVSA-N 1 0 582.752 6.320 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccccn4)c3Cl)c2n1 ZINC000044031855 562651683 /nfs/dbraw/zinc/65/16/83/562651683.db2.gz QCJSFOHJUMDOLY-UHFFFAOYSA-N 1 0 630.598 5.177 1 0 KKAFRO O=C(c1ccc2ccccc2c1)N(CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000044032024 562651710 /nfs/dbraw/zinc/65/17/10/562651710.db2.gz VFRCDCIXWSJNJI-UHFFFAOYSA-N 1 0 570.181 6.404 1 0 KKAFRO O=C(CCc1ccccc1)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281233 562653023 /nfs/dbraw/zinc/65/30/23/562653023.db2.gz HMGVPHBFARTUCU-BHVANESWSA-N 1 0 597.750 7.418 1 0 KKAFRO CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)ccc2NCCNC(N)=[NH2+])cc1 ZINC000044305073 562653325 /nfs/dbraw/zinc/65/33/25/562653325.db2.gz MPQGHTWZUSPVKG-UHFFFAOYSA-N 1 0 610.806 7.831 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccc(F)cc3)Cc3ccc(F)cc3)cc2)cc1-c1ccccc1 ZINC000044306226 562653679 /nfs/dbraw/zinc/65/36/79/562653679.db2.gz BZBVQTFJBASJIS-UHFFFAOYSA-N 1 0 604.705 6.986 1 0 KKAFRO O=C(NCCC[NH+]1CCCC1)[C@@H]1[C@@H]2c3cccc(=O)n3C[C@H]([C@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044350775 562654354 /nfs/dbraw/zinc/65/43/54/562654354.db2.gz FRVRETVPMVMMPI-FKUMXQRRSA-N 1 0 630.214 5.063 1 0 KKAFRO NC(=O)C1(Nc2ccccc2)CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000044352261 562655084 /nfs/dbraw/zinc/65/50/84/562655084.db2.gz HGSGHCYSIWGOHG-YTTGMZPUSA-N 1 0 593.599 6.380 1 0 KKAFRO COc1cc(NC(=O)c2cnc3ccccc3c2)cc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)c1 ZINC000044359846 562655520 /nfs/dbraw/zinc/65/55/20/562655520.db2.gz IDFFNTINIUWLMJ-UHFFFAOYSA-N 1 0 616.718 6.366 1 0 KKAFRO CCCCC[NH+](CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044360422 562655618 /nfs/dbraw/zinc/65/56/18/562655618.db2.gz WHLXWLMPOJUMLS-CZNDPXEESA-N 1 0 604.707 8.015 1 0 KKAFRO CC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)ccc2NCCNC(N)=[NH2+])cc1 ZINC000044360934 562655676 /nfs/dbraw/zinc/65/56/76/562655676.db2.gz RNOLRDSZNSDLHB-UHFFFAOYSA-N 1 0 625.777 6.666 1 0 KKAFRO CCn1nc(C(C)(C)c2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000044404475 562656428 /nfs/dbraw/zinc/65/64/28/562656428.db2.gz CLJHZAHZVGMFKS-JNYUFQCESA-N 1 0 596.860 7.157 1 0 KKAFRO O=C1N(CC[NH+]2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044405278 562656653 /nfs/dbraw/zinc/65/66/53/562656653.db2.gz AWCUCKNTBFFHCS-UHFFFAOYSA-N 1 0 577.600 6.710 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCF)CC2)cc2[nH]c(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)nc21 ZINC000044406305 562656876 /nfs/dbraw/zinc/65/68/76/562656876.db2.gz WTQDFMWCMKSXGH-RUZDIDTESA-N 1 0 538.067 5.565 1 0 KKAFRO COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3c(cc(C4CC[NH+](CCCF)CC4)cc3C)[nH]2)cc1Cl ZINC000044406443 562656882 /nfs/dbraw/zinc/65/68/82/562656882.db2.gz VSPZMUAUSBZZJK-RUZDIDTESA-N 1 0 568.093 5.573 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH2+]CCN(C)c1ccccc1 ZINC000045167125 562657947 /nfs/dbraw/zinc/65/79/47/562657947.db2.gz JVLOQYLODPCWNT-OLANGDPDSA-N 1 0 501.458 5.251 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000045167083 562657958 /nfs/dbraw/zinc/65/79/58/562657958.db2.gz UZBISDZKADNRKD-QHCPKHFHSA-N 1 0 523.621 5.281 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045167355 562658019 /nfs/dbraw/zinc/65/80/19/562658019.db2.gz HJYLQKWOVUQBPF-UHFFFAOYSA-N 1 0 508.449 6.545 1 0 KKAFRO Cc1ccc(Cn2cnc(N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168809 562658138 /nfs/dbraw/zinc/65/81/38/562658138.db2.gz GZARTMHTCAZNIG-ZRZAMGCNSA-N 1 0 522.653 5.098 1 0 KKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045187032 562658198 /nfs/dbraw/zinc/65/81/98/562658198.db2.gz PSPKZRFMQFPGCB-UHFFFAOYSA-N 1 0 510.081 6.967 1 0 KKAFRO Cc1cccc2c(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c21 ZINC000045188288 562658253 /nfs/dbraw/zinc/65/82/53/562658253.db2.gz FXASPJRMPZUMOV-XYOKQWHBSA-N 1 0 524.536 7.351 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000045187297 562658264 /nfs/dbraw/zinc/65/82/64/562658264.db2.gz GTZVVBGBXRNVBS-XYOKQWHBSA-N 1 0 524.536 7.118 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000045188255 562658281 /nfs/dbraw/zinc/65/82/81/562658281.db2.gz DTPVHWKSDGZSNS-CSKARUKUSA-N 1 0 521.464 5.718 1 0 KKAFRO O=C(C1CCCC1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045189848 562658428 /nfs/dbraw/zinc/65/84/28/562658428.db2.gz CAQDTTHBHLNZHJ-GDLZYMKVSA-N 1 0 515.525 6.507 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000045190118 562658472 /nfs/dbraw/zinc/65/84/72/562658472.db2.gz CBLNDHFSGGQIGI-RTWARMFFSA-N 1 0 528.524 5.835 1 0 KKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCC(c2c4ccccc4[nH]c2-c2ccc(F)cc2)CC1)CCC3 ZINC000045191518 562658581 /nfs/dbraw/zinc/65/85/81/562658581.db2.gz NPUZQNXMTNUZCP-UMSFTDKQSA-N 1 0 521.680 7.550 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045191842 562658593 /nfs/dbraw/zinc/65/85/93/562658593.db2.gz KFTIZENUPDYMNE-RBJONROZSA-N 1 0 524.536 7.290 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NC1CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045192431 562658619 /nfs/dbraw/zinc/65/86/19/562658619.db2.gz RIAMPRYEHMJXKS-AFILTOKLSA-N 1 0 543.752 6.437 1 0 KKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045192800 562658692 /nfs/dbraw/zinc/65/86/92/562658692.db2.gz FEOBIJHRWMNECI-UHFFFAOYSA-N 1 0 521.564 7.054 1 0 KKAFRO Cc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000045194726 562658796 /nfs/dbraw/zinc/65/87/96/562658796.db2.gz JCUFZOYNGVCYFM-UHFFFAOYSA-N 1 0 518.101 6.599 1 0 KKAFRO CC(C)C[C@H](C)NC(=O)[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045195351 562658881 /nfs/dbraw/zinc/65/88/81/562658881.db2.gz NUBLFVQCJUOKDV-IDISGSTGSA-N 1 0 507.122 5.420 1 0 KKAFRO COc1cc(NC(=O)/C=C/c2cc(F)cc(F)c2F)cc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000045195283 562658901 /nfs/dbraw/zinc/65/89/01/562658901.db2.gz DMAHFESFDFFUDG-BQYQJAHWSA-N 1 0 526.555 5.127 1 0 KKAFRO C[NH+](C)CCCn1cncc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1 ZINC000045201166 562658998 /nfs/dbraw/zinc/65/89/98/562658998.db2.gz INWBAPZNPFLHAT-UHFFFAOYSA-N 1 0 502.626 5.587 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000045201313 562659037 /nfs/dbraw/zinc/65/90/37/562659037.db2.gz RDLPDGDMIDFGGN-PKNBQFBNSA-N 1 0 521.464 5.672 1 0 KKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000045201328 562659044 /nfs/dbraw/zinc/65/90/44/562659044.db2.gz FTDQXEUGZKAGCG-JLHYYAGUSA-N 1 0 531.056 6.135 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3ccc4c(c3)OCO4)C(=O)Cc3cccnc3)cc2)nc1 ZINC000045201716 562659050 /nfs/dbraw/zinc/65/90/50/562659050.db2.gz GUUMRIKXOIAPJT-UHFFFAOYSA-N 1 0 508.622 5.143 1 0 KKAFRO Cc1cc(OCC[NH+]2CCCCC2)ccc1NC(=O)c1cccc2c(=O)n(Cc3ccc(Cl)cc3)cnc12 ZINC000045202316 562659159 /nfs/dbraw/zinc/65/91/59/562659159.db2.gz PDBGYRXSNWMULZ-UHFFFAOYSA-N 1 0 531.056 5.524 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3F)CC2)CC1 ZINC000045226634 562659357 /nfs/dbraw/zinc/65/93/57/562659357.db2.gz TVIAWYJCNJBRQU-NTUHNPAUSA-N 1 0 504.568 6.173 1 0 KKAFRO O=C(NCCC[NH+]1CCCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045227755 562659429 /nfs/dbraw/zinc/65/94/29/562659429.db2.gz TYPRKGIWJQJJAT-UHFFFAOYSA-N 1 0 522.653 6.362 1 0 KKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000045230001 562659579 /nfs/dbraw/zinc/65/95/79/562659579.db2.gz QMRWYQTUIAOSHP-UHFFFAOYSA-N 1 0 515.535 6.992 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)c1 ZINC000045229297 562659599 /nfs/dbraw/zinc/65/95/99/562659599.db2.gz RIGIOOLHUXCEJQ-UHFFFAOYSA-N 1 0 502.593 7.598 1 0 KKAFRO Cc1ccc(N)cc1-c1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000045231152 562659684 /nfs/dbraw/zinc/65/96/84/562659684.db2.gz XLTRZPFJRWOCOQ-UHFFFAOYSA-N 1 0 518.612 5.338 1 0 KKAFRO Cc1ccccc1-c1c(=O)n(CCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c(=O)n2c1CCCC2 ZINC000045258118 562659921 /nfs/dbraw/zinc/65/99/21/562659921.db2.gz MAHJBWVCVHANCL-UHFFFAOYSA-N 1 0 510.682 5.463 1 0 KKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(I)c1 ZINC000045301349 562660467 /nfs/dbraw/zinc/66/04/67/562660467.db2.gz ZHWMCQJEZHPFGE-UHFFFAOYSA-N 1 0 530.454 5.944 1 0 KKAFRO O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)c1 ZINC000045301936 562660536 /nfs/dbraw/zinc/66/05/36/562660536.db2.gz SROYUANCLBQZEB-UHFFFAOYSA-N 1 0 529.044 5.056 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045302272 562660611 /nfs/dbraw/zinc/66/06/11/562660611.db2.gz SGHUSCQBDAPJPX-SOFGYWHQSA-N 1 0 510.509 6.996 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045317801 562660896 /nfs/dbraw/zinc/66/08/96/562660896.db2.gz IPZCFDBKNITPHO-UHFFFAOYSA-N 1 0 518.543 5.169 1 0 KKAFRO O=C(CCCCCNC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)NCC[NH+]1CCCCC1 ZINC000045322158 562661097 /nfs/dbraw/zinc/66/10/97/562661097.db2.gz OSVRXKWMDRITGP-UHFFFAOYSA-N 1 0 506.474 5.258 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045323840 562661139 /nfs/dbraw/zinc/66/11/39/562661139.db2.gz IRIJPQXQSRZXDD-ZRDIBKRKSA-N 1 0 524.536 7.290 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3nc4cccnc4[nH]3)CC2)CC1 ZINC000045334341 562661264 /nfs/dbraw/zinc/66/12/64/562661264.db2.gz INUIWNVAQHQESA-UXBLZVDNSA-N 1 0 512.485 5.833 1 0 KKAFRO C[NH+]1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(C(F)(F)F)c3)ccc2Cl)CC1 ZINC000045336236 562661370 /nfs/dbraw/zinc/66/13/70/562661370.db2.gz KWHMJAXJPONKEI-UHFFFAOYSA-N 1 0 504.940 6.538 1 0 KKAFRO COc1cc(OC)cc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000045364018 562661993 /nfs/dbraw/zinc/66/19/93/562661993.db2.gz VVFQMEOQOLMGFJ-UHFFFAOYSA-N 1 0 515.654 7.173 1 0 KKAFRO COc1ccc(/C=C/c2c3c(cc[n+]2Cc2ccccc2)c2ccccc2n3CCCc2ccccc2)cc1 ZINC000045497182 562662696 /nfs/dbraw/zinc/66/26/96/562662696.db2.gz KPIGXTNULBQHEW-BSYVCWPDSA-N 1 0 509.673 7.942 1 0 KKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000048307279 562662905 /nfs/dbraw/zinc/66/29/05/562662905.db2.gz YULHSCHRHAVYAX-FTJBHMTQSA-N 1 0 548.609 5.977 1 0 KKAFRO CC(C)n1c(CC2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)nc2ccccc21 ZINC000048307399 562663076 /nfs/dbraw/zinc/66/30/76/562663076.db2.gz ASCNDLCBTNDEDO-CSKARUKUSA-N 1 0 553.578 7.131 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000049033913 562663477 /nfs/dbraw/zinc/66/34/77/562663477.db2.gz MAOOLDXOCHBHKI-UHFFFAOYSA-N 1 0 527.112 6.107 1 0 KKAFRO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+]4CCC[C@@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051644 562663752 /nfs/dbraw/zinc/66/37/52/562663752.db2.gz SOBWJJMARWEHLE-OAQYLSRUSA-N 1 0 500.996 6.930 1 0 KKAFRO O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1 ZINC000049049436 562663758 /nfs/dbraw/zinc/66/37/58/562663758.db2.gz NDZNROZJBIXEDW-HKBQPEDESA-N 1 0 517.633 5.117 1 0 KKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4s3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067627 562663957 /nfs/dbraw/zinc/66/39/57/562663957.db2.gz VJBLQVGHCPRWTP-MUUNZHRXSA-N 1 0 505.691 6.456 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)cs1)C1CCCCC1 ZINC000049072313 562664233 /nfs/dbraw/zinc/66/42/33/562664233.db2.gz OWHXKYSKEROHGU-CNVLFFCLSA-N 1 0 504.700 5.300 1 0 in-vitro KKAFRO CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049110521 562664537 /nfs/dbraw/zinc/66/45/37/562664537.db2.gz FRWMBAREYKAXIM-NDEPHWFRSA-N 1 0 537.789 6.724 1 0 KKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1C[NH+]1CCC(N2CCCCC2=O)CC1)C1CCCCC1 ZINC000049604900 562665040 /nfs/dbraw/zinc/66/50/40/562665040.db2.gz NFHJETRNXWUWDP-QHCPKHFHSA-N 1 0 558.792 6.639 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N(c1ccccc1)S(C)(=O)=O ZINC000049604901 562665050 /nfs/dbraw/zinc/66/50/50/562665050.db2.gz JCNYDFIVOVCALD-CQTOTRCISA-N 1 0 678.777 6.339 1 0 KKAFRO COc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049605004 562665221 /nfs/dbraw/zinc/66/52/21/562665221.db2.gz UDRAVCZDQQHHDA-UHFFFAOYSA-N 1 0 550.099 5.999 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049605026 562665205 /nfs/dbraw/zinc/66/52/05/562665205.db2.gz LTFZIGWTCPMTAW-DHUJRADRSA-N 1 0 654.635 7.149 1 0 KKAFRO COc1cc(C(=O)N2CC[C@H](CC[NH+]3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)C[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049605109 562665334 /nfs/dbraw/zinc/66/53/34/562665334.db2.gz NIKPWVVWKGURQG-LBNVMWSVSA-N 1 0 730.755 6.686 1 0 KKAFRO CC[NH+](CC)CCN(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049605100 562665339 /nfs/dbraw/zinc/66/53/39/562665339.db2.gz XGOMGMXRVFNPHT-UHFFFAOYSA-N 1 0 704.784 7.949 1 0 KKAFRO CN1CC[NH+](CCc2ccc3[nH]c(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049605233 562665576 /nfs/dbraw/zinc/66/55/76/562665576.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 1 0 558.151 6.300 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccc(=O)c(Cl)c-2[nH]c(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000049605236 562665599 /nfs/dbraw/zinc/66/55/99/562665599.db2.gz ORPMJVLRCPGPOR-PMERELPUSA-N 1 0 597.203 7.592 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605278 562665636 /nfs/dbraw/zinc/66/56/36/562665636.db2.gz PZOWECREPCMKDZ-VZUCSPMQSA-N 1 0 557.444 6.162 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049605291 562665642 /nfs/dbraw/zinc/66/56/42/562665642.db2.gz UIUDOSNXJWXELI-UHFFFAOYSA-N 1 0 574.043 6.881 1 0 KKAFRO Cc1noc(-c2ccccc2)c1NC(=O)NC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605304 562665678 /nfs/dbraw/zinc/66/56/78/562665678.db2.gz OHELTGNTWXQUJV-ACCUITESSA-N 1 0 584.548 6.543 1 0 KKAFRO CCOc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000049605303 562665686 /nfs/dbraw/zinc/66/56/86/562665686.db2.gz LMTNQCKBZCTTJG-UHFFFAOYSA-N 1 0 570.496 6.017 1 0 KKAFRO O=C(NC1CCCCC1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605308 562665694 /nfs/dbraw/zinc/66/56/94/562665694.db2.gz RPSPIKHKAXFKFU-UHFFFAOYSA-N 1 0 542.753 6.231 1 0 KKAFRO CS(=O)(=O)N(c1cccc(F)c1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000049605313 562665697 /nfs/dbraw/zinc/66/56/97/562665697.db2.gz BMRRZOPHQQYZFR-JHOUSYSJSA-N 1 0 712.766 5.561 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049605348 562665718 /nfs/dbraw/zinc/66/57/18/562665718.db2.gz JUJINSDVRLQLTO-PKNBQFBNSA-N 1 0 571.471 6.552 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049605406 562665843 /nfs/dbraw/zinc/66/58/43/562665843.db2.gz NGPQLLIDARIUAG-YRNVUSSQSA-N 1 0 553.481 6.201 1 0 KKAFRO Cc1c(Cn2ncc(N3CCC([NH3+])CC3)c(Cl)c2=O)cccc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049605443 562665943 /nfs/dbraw/zinc/66/59/43/562665943.db2.gz FOCRNVBHJFUZPV-UHFFFAOYSA-N 1 0 543.071 5.492 1 0 KKAFRO CN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605547 562666014 /nfs/dbraw/zinc/66/60/14/562666014.db2.gz WCDWFONYUJKLEY-WUXMJOGZSA-N 1 0 576.996 6.601 1 0 KKAFRO C[NH+](C)CCCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c3ccccc23)ccc1I ZINC000049605672 562666143 /nfs/dbraw/zinc/66/61/43/562666143.db2.gz GQRDHGMPMBQBBG-UHFFFAOYSA-N 1 0 566.443 6.481 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049605714 562666195 /nfs/dbraw/zinc/66/61/95/562666195.db2.gz VSWRQTLBFQCTEB-WEVVVXLNSA-N 1 0 572.364 6.886 1 0 KKAFRO O=C(N[C@@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605736 562666291 /nfs/dbraw/zinc/66/62/91/562666291.db2.gz UPECNCZLZOVUOM-AJQTZOPKSA-N 1 0 576.770 6.454 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)c1c[nH]c2ccc(Br)cc21 ZINC000049605811 562666357 /nfs/dbraw/zinc/66/63/57/562666357.db2.gz NMKDUVUUJJDADK-UHFFFAOYSA-N 1 0 572.469 7.600 1 0 KKAFRO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605792 562666372 /nfs/dbraw/zinc/66/63/72/562666372.db2.gz NLPYUOOSZXDDEC-XUVXKRRUSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625441 562666795 /nfs/dbraw/zinc/66/67/95/562666795.db2.gz UOYHHUKUSBEJQM-BHDDXSALSA-N 1 0 537.919 5.933 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049625796 562666858 /nfs/dbraw/zinc/66/68/58/562666858.db2.gz XUTNSSYTUKBUHU-SOFGYWHQSA-N 1 0 573.352 6.235 1 0 KKAFRO CN(C(=O)Nc1ccc(F)cc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626008 562666939 /nfs/dbraw/zinc/66/69/39/562666939.db2.gz SBQWVJVAJJAODR-WUXMJOGZSA-N 1 0 535.491 6.061 1 0 KKAFRO CCCCCCNC(=O)[C@@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000049626049 562667034 /nfs/dbraw/zinc/66/70/34/562667034.db2.gz QSNUEMGYDMCCEY-SANMLTNESA-N 1 0 537.546 5.633 1 0 KKAFRO CN(CC[C@H](CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049626186 562667044 /nfs/dbraw/zinc/66/70/44/562667044.db2.gz XOGVRRITKKIKKR-XMMPIXPASA-N 1 0 563.573 8.382 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049626354 562667149 /nfs/dbraw/zinc/66/71/49/562667149.db2.gz XACYZNUBDRDHNM-FTJBHMTQSA-N 1 0 548.609 5.977 1 0 KKAFRO CC(C)CCCC(C)(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049626375 562667173 /nfs/dbraw/zinc/66/71/73/562667173.db2.gz ZODYLSHLPKUAMJ-IOWSJCHKSA-N 1 0 600.870 5.333 1 0 KKAFRO Cc1[nH]c2ccc(NS(C)(=O)=O)cc2c1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049626330 562667189 /nfs/dbraw/zinc/66/71/89/562667189.db2.gz WHQVLCJKVFHURB-XBXARRHUSA-N 1 0 603.616 6.286 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049626483 562667212 /nfs/dbraw/zinc/66/72/12/562667212.db2.gz YABLTQUEFRNCNY-FNORWQNLSA-N 1 0 572.364 6.886 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049626654 562667282 /nfs/dbraw/zinc/66/72/82/562667282.db2.gz UGNIWKNDOCCEKX-ZFLSFVSKSA-N 1 0 561.510 5.366 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049626799 562667333 /nfs/dbraw/zinc/66/73/33/562667333.db2.gz XBSNFOBEGLEWIP-UXBLZVDNSA-N 1 0 555.909 6.325 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626691 562667339 /nfs/dbraw/zinc/66/73/39/562667339.db2.gz SJWUKHCSCHZFJM-XZOQPEGZSA-N 1 0 551.946 6.323 1 0 KKAFRO CCOC(=O)c1cc(C(=O)NCCCC[NH+]2CCC(c3ccc4c(c3OC)CCCC4)CC2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000049626874 562667424 /nfs/dbraw/zinc/66/74/24/562667424.db2.gz SNJWEPYXCRHLMT-UHFFFAOYSA-N 1 0 636.755 7.826 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049627081 562667498 /nfs/dbraw/zinc/66/74/98/562667498.db2.gz YRHOQADJUCJNBD-SOFGYWHQSA-N 1 0 539.454 5.811 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000049627084 562667514 /nfs/dbraw/zinc/66/75/14/562667514.db2.gz ZWYSFQFCKATTPO-WUXMJOGZSA-N 1 0 553.987 6.351 1 0 KKAFRO CCOc1c2ccccc2ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049639219 562667706 /nfs/dbraw/zinc/66/77/06/562667706.db2.gz WEZOUPPOCJFJLB-UHFFFAOYSA-N 1 0 585.148 6.476 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000049639217 562667711 /nfs/dbraw/zinc/66/77/11/562667711.db2.gz RQFYVNYMMZIFPY-VGOFMYFVSA-N 1 0 537.026 5.898 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)n1 ZINC000049639224 562667714 /nfs/dbraw/zinc/66/77/14/562667714.db2.gz ZRLZKVGPSWDMSC-UHFFFAOYSA-N 1 0 626.632 8.496 1 0 KKAFRO Cc1c(CC(=O)NCCC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)sc2ccc(Cl)cc12 ZINC000049639202 562667719 /nfs/dbraw/zinc/66/77/19/562667719.db2.gz UJEUQZKQFGKTHJ-UXBLZVDNSA-N 1 0 635.101 7.931 1 0 KKAFRO O=C(NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 ZINC000049639859 562667843 /nfs/dbraw/zinc/66/78/43/562667843.db2.gz RJZPCUVMLZBWGD-UHFFFAOYSA-N 1 0 681.708 10.143 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)CCC2(F)F)CC1 ZINC000049654887 562668159 /nfs/dbraw/zinc/66/81/59/562668159.db2.gz ICRPTZMWRJGNQI-CLIDGEQKSA-N 1 0 648.754 7.228 1 0 in-vitro KKAFRO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000049678541 562668568 /nfs/dbraw/zinc/66/85/68/562668568.db2.gz AWFMMMYPYHZILD-JHOBJCJYSA-N 1 0 569.673 5.587 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@H]1CCCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694580 562669505 /nfs/dbraw/zinc/66/95/05/562669505.db2.gz NNHSNTVSIBPBEP-RUZDIDTESA-N 1 0 544.186 5.946 1 0 KKAFRO CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[C@H]([NH+](C)C)C3)c2F)c1 ZINC000049694728 562669702 /nfs/dbraw/zinc/66/97/02/562669702.db2.gz WIFBOPRNBMRLLS-DEOSSOPVSA-N 1 0 603.670 5.975 1 0 KKAFRO Cc1ccc(C(OC[C@@H](O)CN2CCC[N@H+](C[C@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049695301 562670395 /nfs/dbraw/zinc/67/03/95/562670395.db2.gz XQCPRRIYLNZGGI-YDAXCOIMSA-N 1 0 636.877 6.562 1 0 KKAFRO Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(N)cc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[C@@H]([NH+](C)C)C3)c2F)c1 ZINC000049695500 562670668 /nfs/dbraw/zinc/67/06/68/562670668.db2.gz QBCOMEKKPNBIQB-HSZRJFAPSA-N 1 0 589.643 5.799 1 0 KKAFRO COc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc3cc(C(=O)NCCC[NH+](C)C)ccc32)cc1Cl ZINC000049710047 562671489 /nfs/dbraw/zinc/67/14/89/562671489.db2.gz WFGIMHZRDXHPLA-UHFFFAOYSA-N 1 0 560.020 6.191 1 0 KKAFRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049710204 562671583 /nfs/dbraw/zinc/67/15/83/562671583.db2.gz UEEWFTFRIVRZLS-SNMYMPMCSA-N 1 0 577.553 5.844 1 0 KKAFRO O=C(Nc1ccc(N2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000049710408 562671686 /nfs/dbraw/zinc/67/16/86/562671686.db2.gz NFPKEVTZBUMEDP-UHFFFAOYSA-N 1 0 572.606 7.567 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[N@@H+]3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710529 562671733 /nfs/dbraw/zinc/67/17/33/562671733.db2.gz NNCRUKJWFHRUPQ-VCTRWQRLSA-N 1 0 642.580 5.880 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710526 562671749 /nfs/dbraw/zinc/67/17/49/562671749.db2.gz XBZRVHUHDCWGBJ-GOTSBHOMSA-N 1 0 585.498 6.688 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2cc(C)ccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049711227 562672025 /nfs/dbraw/zinc/67/20/25/562672025.db2.gz BDMQLVQLAKQNAF-UHFFFAOYSA-N 1 0 690.757 7.825 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049722590 562672217 /nfs/dbraw/zinc/67/22/17/562672217.db2.gz WKKXFGIJMRPOAF-MHZLTWQESA-N 1 0 670.490 7.044 1 0 KKAFRO COc1cccc(NC(=O)N2CCO[C@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049722690 562672369 /nfs/dbraw/zinc/67/23/69/562672369.db2.gz WCWPHSVLSQMSCE-XIFFEERXSA-N 1 0 594.583 7.132 1 0 KKAFRO O=C(NCc1ccccc1)[C@@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000049722738 562672414 /nfs/dbraw/zinc/67/24/14/562672414.db2.gz MUPCPQJMLASLLG-MHZLTWQESA-N 1 0 543.509 5.252 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722789 562672555 /nfs/dbraw/zinc/67/25/55/562672555.db2.gz UIVCBOULXFLNQF-UHFFFAOYSA-N 1 0 668.228 8.287 1 0 KKAFRO FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1c1ccccc1)c2N1CCC([NH+]2CCOCC2)CC1 ZINC000049722882 562672629 /nfs/dbraw/zinc/67/26/29/562672629.db2.gz BXKFJUGLVGQHBJ-UHFFFAOYSA-N 1 0 540.615 5.091 1 0 KKAFRO O=C(NCC1CC[NH+](CCN2CCc3ccc4c(c3C2)OCO4)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722945 562672770 /nfs/dbraw/zinc/67/27/70/562672770.db2.gz YSMJNYBYOIXKLQ-UHFFFAOYSA-N 1 0 565.636 5.601 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cccc(C(F)(F)F)c3)CCO2)CC1 ZINC000049723049 562672858 /nfs/dbraw/zinc/67/28/58/562672858.db2.gz RPUAMPNKURYVLZ-XIFFEERXSA-N 1 0 677.595 8.070 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cn([C@H](c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)C(C)C)nn1 ZINC000049723061 562672898 /nfs/dbraw/zinc/67/28/98/562672898.db2.gz HXVGJABFMGLVEA-LOBJQDIOSA-N 1 0 661.863 5.641 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)nn1 ZINC000049723060 562672923 /nfs/dbraw/zinc/67/29/23/562672923.db2.gz JRLWOBNPZVAIRF-MESOCYPDSA-N 1 0 709.907 6.227 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)/C=C/c2ccccc2F)CC1 ZINC000049746641 562674515 /nfs/dbraw/zinc/67/45/15/562674515.db2.gz MVXWCENTWPLSKO-JOWSBRCASA-N 1 0 560.541 6.364 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049746633 562674516 /nfs/dbraw/zinc/67/45/16/562674516.db2.gz KVPNRPRWDRVCLS-NHCUHLMSSA-N 1 0 586.391 6.976 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 ZINC000049756303 562674951 /nfs/dbraw/zinc/67/49/51/562674951.db2.gz TZLGIAYWQIKOLM-HKBQPEDESA-N 1 0 561.767 5.962 1 0 KKAFRO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756735 562675217 /nfs/dbraw/zinc/67/52/17/562675217.db2.gz QEMGEAVSFHMSAA-UDNBHOFDSA-N 1 0 594.152 5.332 1 0 KKAFRO COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OCCCN3CC[NH+](C)CC3)c(OC)cc21 ZINC000049757186 562675644 /nfs/dbraw/zinc/67/56/44/562675644.db2.gz DCKMTGBFLNPJPS-UHFFFAOYSA-N 1 0 570.719 5.684 1 0 KKAFRO CC[N@H+](C[C@@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771144 562677976 /nfs/dbraw/zinc/67/79/76/562677976.db2.gz CZQXPDBVKLWLQZ-NSOVKSMOSA-N 1 0 653.827 5.245 1 0 KKAFRO CC(C)[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771178 562678027 /nfs/dbraw/zinc/67/80/27/562678027.db2.gz JJYCGWVLRXDIGY-SKXFTCKDSA-N 1 0 639.979 6.033 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5c[nH]cn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 562678693 /nfs/dbraw/zinc/67/86/93/562678693.db2.gz JPQXHCVMHRKCDV-LJAQVGFWSA-N 1 0 612.844 5.301 1 0 KKAFRO CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3nc2Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049775007 562678861 /nfs/dbraw/zinc/67/88/61/562678861.db2.gz NITOVUIHLVISSN-UHFFFAOYSA-N 1 0 630.719 7.673 1 0 in-vivo KKAFRO CC(C)(C)C[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049775551 562679127 /nfs/dbraw/zinc/67/91/27/562679127.db2.gz XBOFJPSCQGVLPB-VSGBNLITSA-N 1 0 635.856 6.323 1 0 KKAFRO C[NH+](C)CC(C)(C)CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000049775623 562679178 /nfs/dbraw/zinc/67/91/78/562679178.db2.gz NMULSNNATHYGPZ-UHFFFAOYSA-N 1 0 558.690 7.104 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000049776984 562679474 /nfs/dbraw/zinc/67/94/74/562679474.db2.gz PGRZDFUKUNJXDD-QNGWXLTQSA-N 1 0 636.881 5.948 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777057 562679581 /nfs/dbraw/zinc/67/95/81/562679581.db2.gz JXPNJRFLIWRZMU-PMERELPUSA-N 1 0 616.872 5.557 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC([N@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777304 562679914 /nfs/dbraw/zinc/67/99/14/562679914.db2.gz LZHIZGLOVRGHRV-HKBQPEDESA-N 1 0 644.926 6.335 1 0 KKAFRO O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C2(CC2)C[NH2+]C1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049777912 562680666 /nfs/dbraw/zinc/68/06/66/562680666.db2.gz ASDPDWUVPBMSDF-UHFFFAOYSA-N 1 0 631.978 8.265 1 0 KKAFRO C[NH+](C)CCc1ccccc1-c1cnn2c1nccc2-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000049778069 562680820 /nfs/dbraw/zinc/68/08/20/562680820.db2.gz WJTUVBBDWNOHLW-UHFFFAOYSA-N 1 0 529.566 6.439 1 0 KKAFRO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c([C@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778147 562680982 /nfs/dbraw/zinc/68/09/82/562680982.db2.gz ZPOHWIIFZLLEPQ-MGBGTMOVSA-N 1 0 643.800 7.972 1 0 KKAFRO C[N@H+](Cc1c(-c2ccc(NC3=NCCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780167 562681395 /nfs/dbraw/zinc/68/13/95/562681395.db2.gz VLDSOJXTMRDIAY-UHFFFAOYSA-N 1 0 662.766 6.211 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)[C@@H]2CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780760 562682169 /nfs/dbraw/zinc/68/21/69/562682169.db2.gz AEZOKRGSPAENOS-CZZIKKGSSA-N 1 0 627.867 5.954 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2N2CC[C@](C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000049781389 562683051 /nfs/dbraw/zinc/68/30/51/562683051.db2.gz XPXVRXYTAFCHFC-FUBPYXQFSA-N 1 0 639.806 5.500 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCCC5)c4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000049784963 562683890 /nfs/dbraw/zinc/68/38/90/562683890.db2.gz XBPYCPJZSVLGEO-UHFFFAOYSA-N 1 0 533.680 6.470 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+](C)C)cc4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049785582 562684051 /nfs/dbraw/zinc/68/40/51/562684051.db2.gz BQYUDMQJOHMTEM-UHFFFAOYSA-N 1 0 555.686 7.486 1 0 KKAFRO CC(C)CN(C)C(=O)c1ccc2c(c1)[nH]c(-c1cc(Cc3ccccc3)[nH]n1)c2C[NH2+]Cc1ccc(F)cc1 ZINC000049808304 562686637 /nfs/dbraw/zinc/68/66/37/562686637.db2.gz KHTCGPGBJMRYTB-UHFFFAOYSA-N 1 0 523.656 6.306 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCC2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049823229 562687120 /nfs/dbraw/zinc/68/71/20/562687120.db2.gz PEQDPQMKXRCLBX-PGQTVUBTSA-N 1 0 737.898 5.728 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823288 562687159 /nfs/dbraw/zinc/68/71/59/562687159.db2.gz LEISAHGPHFOWKZ-GDLZYMKVSA-N 1 0 665.279 5.029 1 0 KKAFRO O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049833456 562687802 /nfs/dbraw/zinc/68/78/02/562687802.db2.gz BUBLIDZZMNUPQQ-UHFFFAOYSA-N 1 0 657.804 5.153 1 0 KKAFRO COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CC[N@H+]2C)cc1 ZINC000049833552 562687875 /nfs/dbraw/zinc/68/78/75/562687875.db2.gz CCLPJGYXMUPSKC-LJAQVGFWSA-N 1 0 652.744 6.518 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867664 562689623 /nfs/dbraw/zinc/68/96/23/562689623.db2.gz HSGMOZQNCPRWOD-AARCXHMLSA-N 1 0 557.804 6.662 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867721 562689639 /nfs/dbraw/zinc/68/96/39/562689639.db2.gz HMDJSTVCSNOIAW-AARCXHMLSA-N 1 0 557.804 6.662 1 0 KKAFRO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC([NH+]2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 ZINC000049872344 562689964 /nfs/dbraw/zinc/68/99/64/562689964.db2.gz ZCFZBUNCKXEBAK-UHFFFAOYSA-N 1 0 537.583 5.414 1 0 KKAFRO CCC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(Br)cc2)n3C)ccn1 ZINC000049872372 562689981 /nfs/dbraw/zinc/68/99/81/562689981.db2.gz XTXUJHNEHHATPI-OAQYLSRUSA-N 1 0 548.485 7.062 1 0 KKAFRO CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C[NH+]2CCCCC2)o1 ZINC000049872444 562690038 /nfs/dbraw/zinc/69/00/38/562690038.db2.gz QMBSLVXKWCEUDI-UHFFFAOYSA-N 1 0 544.914 7.833 1 0 KKAFRO O=C(/C=C/c1ccc(Sc2cccc(OC3CC[NH2+]CC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881777 562691132 /nfs/dbraw/zinc/69/11/32/562691132.db2.gz LLDYORSLNIEEGL-FNORWQNLSA-N 1 0 560.560 5.878 1 0 KKAFRO CCCCN(CCCC)C(=O)c1nn(-c2ccc(NCc3ccncc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1Cl ZINC000049888728 562691388 /nfs/dbraw/zinc/69/13/88/562691388.db2.gz ILULISUBRXTBNT-PMERELPUSA-N 1 0 642.248 6.409 1 0 KKAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888969 562691690 /nfs/dbraw/zinc/69/16/90/562691690.db2.gz LOOANSAOYXBBSO-JOCHJYFZSA-N 1 0 554.135 5.018 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(OC(F)(F)F)c2)C1 ZINC000049889053 562691740 /nfs/dbraw/zinc/69/17/40/562691740.db2.gz AXHJCZGHYWZMGU-CERRFVOPSA-N 1 0 557.698 5.570 1 0 KKAFRO Clc1ccc(C(Nc2ccnc3cc(Cl)ccc32)(c2ccc(Cl)cc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000049889089 562691785 /nfs/dbraw/zinc/69/17/85/562691785.db2.gz HCDIVWHURFENQQ-UHFFFAOYSA-N 1 0 572.967 9.195 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N(Cc2ccccn2)Cc2ccccn2)CC1 ZINC000049898326 562692438 /nfs/dbraw/zinc/69/24/38/562692438.db2.gz SYIIDEMHZYNMGV-QWOOXDRHSA-N 1 0 645.679 6.792 1 0 KKAFRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049917587 562693598 /nfs/dbraw/zinc/69/35/98/562693598.db2.gz ILBYOGSKGKQPFN-NTUHNPAUSA-N 1 0 609.038 7.022 1 0 KKAFRO C[NH+](C)Cc1ccc2[nH]c(-c3cccc(Cc4cc(Cl)ccc4OCc4ccc(Cl)cc4F)n3)nc2c1 ZINC000049908061 562693490 /nfs/dbraw/zinc/69/34/90/562693490.db2.gz QPYNDVKBMMJDRH-UHFFFAOYSA-N 1 0 535.450 7.302 1 0 KKAFRO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917588 562693656 /nfs/dbraw/zinc/69/36/56/562693656.db2.gz GGIHBVOKRSMNKK-SDHOMARFSA-N 1 0 543.539 5.768 1 0 KKAFRO CN(CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)C(=O)OCCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049917619 562693700 /nfs/dbraw/zinc/69/37/00/562693700.db2.gz IHDOUWCUEPZZFK-ZRDIBKRKSA-N 1 0 585.576 6.722 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049917678 562693743 /nfs/dbraw/zinc/69/37/43/562693743.db2.gz AVESLRDNUJZJPD-NTUHNPAUSA-N 1 0 613.552 7.626 1 0 KKAFRO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2cc(C[NH+]3CCCCC3)ccc21 ZINC000049917774 562693906 /nfs/dbraw/zinc/69/39/06/562693906.db2.gz NAKHXHTZFHFJKP-UHFFFAOYSA-N 1 0 719.820 9.292 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)Cc2cccc(Cl)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049917869 562694079 /nfs/dbraw/zinc/69/40/79/562694079.db2.gz HSTMVMUKIPUPLD-IOWSJCHKSA-N 1 0 627.251 5.015 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)c(F)cc1F ZINC000049917870 562694092 /nfs/dbraw/zinc/69/40/92/562694092.db2.gz ATTKFXUOOVHJGA-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917960 562694210 /nfs/dbraw/zinc/69/42/10/562694210.db2.gz AGLUKBSNZHMNNX-XUVXKRRUSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917958 562694230 /nfs/dbraw/zinc/69/42/30/562694230.db2.gz AGLUKBSNZHMNNX-ZCNNSNEGSA-N 1 0 572.364 6.586 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)ccc2c1C(C)(C)CCC2(C)C ZINC000049917990 562694244 /nfs/dbraw/zinc/69/42/44/562694244.db2.gz LBKLGHYZVXIEEU-UHFFFAOYSA-N 1 0 587.248 8.754 1 0 KKAFRO Cc1c(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000049918128 562694511 /nfs/dbraw/zinc/69/45/11/562694511.db2.gz NHTKXZSHUBINEX-UHFFFAOYSA-N 1 0 599.006 7.790 1 0 KKAFRO COc1ccc(C(=O)CCC(=O)N(CCSC(C)(C)C)Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049918151 562694514 /nfs/dbraw/zinc/69/45/14/562694514.db2.gz HXTJWJDTMJCKAH-UHFFFAOYSA-N 1 0 719.945 7.156 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)c(F)c(F)c1 ZINC000049918156 562694560 /nfs/dbraw/zinc/69/45/60/562694560.db2.gz SJAKUUXLZCPYDX-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049918167 562694574 /nfs/dbraw/zinc/69/45/74/562694574.db2.gz YJRITMRKSVKGDM-MFMCTBQISA-N 1 0 620.716 6.103 1 0 KKAFRO CNC(=O)COc1cc(C)c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)cc1C ZINC000049918200 562694596 /nfs/dbraw/zinc/69/45/96/562694596.db2.gz QMZVZVFIMZERIV-UHFFFAOYSA-N 1 0 595.706 6.504 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@H](NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918198 562694597 /nfs/dbraw/zinc/69/45/97/562694597.db2.gz OUIYXSOGPADYFB-LJAQVGFWSA-N 1 0 657.639 7.570 1 0 KKAFRO COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)CC[NH2+]C2)C2CC2)c1C ZINC000049925433 562694743 /nfs/dbraw/zinc/69/47/43/562694743.db2.gz WMSGXMSFQWCEOR-UHFFFAOYSA-N 1 0 581.103 6.885 1 0 KKAFRO CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938440 562695334 /nfs/dbraw/zinc/69/53/34/562695334.db2.gz IOOZPOJLJXNYOT-VWLOTQADSA-N 1 0 715.742 5.553 1 0 KKAFRO COc1ccc(Cl)cc1NC(=O)NC1CCC([NH+]2CCN(c3ccccc3OC(C)C)CC2)CC1 ZINC000053050668 562696114 /nfs/dbraw/zinc/69/61/14/562696114.db2.gz AVIOZEGAUFSOTR-UHFFFAOYSA-N 1 0 501.071 5.391 1 0 in-vitro KKAFRO CN(c1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1)S(C)(=O)=O ZINC000053113462 562696267 /nfs/dbraw/zinc/69/62/67/562696267.db2.gz ZGOIUIRYGONMSH-NDEPHWFRSA-N 1 0 604.600 5.470 1 0 KKAFRO O=c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)c[nH]1 ZINC000055723224 562697758 /nfs/dbraw/zinc/69/77/58/562697758.db2.gz WODXCEOADJHAKH-UHFFFAOYSA-N 1 0 555.642 5.110 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCC[NH+](C)C)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000058533424 562698679 /nfs/dbraw/zinc/69/86/79/562698679.db2.gz JYIHNEXEMOABLT-SWXYMPDUSA-N 1 0 501.796 8.111 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCC[NH+](C)C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058538030 562698758 /nfs/dbraw/zinc/69/87/58/562698758.db2.gz WAMWLVAINQIUBS-GOSISDBHSA-N 1 0 549.100 5.795 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000058583245 562700057 /nfs/dbraw/zinc/70/00/57/562700057.db2.gz QAAYSLMGQUQUDQ-HSZRJFAPSA-N 1 0 651.031 5.934 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000058598799 562700739 /nfs/dbraw/zinc/70/07/39/562700739.db2.gz OWRZQDDNDUUITK-LJQANCHMSA-N 1 0 606.674 6.159 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)NCC[NH+](C)C)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000058640776 562701227 /nfs/dbraw/zinc/70/12/27/562701227.db2.gz PGHIPIGOJWYVSA-AMEOGUEXSA-N 1 0 556.876 7.398 1 0 KKAFRO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)cc1 ZINC000058655319 562701338 /nfs/dbraw/zinc/70/13/38/562701338.db2.gz QJPSGDXCCOBLIC-VPUSJEBWSA-N 1 0 530.632 5.177 1 0 KKAFRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000058669745 562701504 /nfs/dbraw/zinc/70/15/04/562701504.db2.gz RTJZMWSCHLSZOW-MVSFAKPFSA-N 1 0 591.196 6.780 1 0 KKAFRO CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033258 562701627 /nfs/dbraw/zinc/70/16/27/562701627.db2.gz NBYDAJFVSYGLLS-XMMPIXPASA-N 1 0 565.755 6.718 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000059796437 562702376 /nfs/dbraw/zinc/70/23/76/562702376.db2.gz JTGKUZGKSYNODZ-OETVIHDQSA-N 1 0 500.642 6.557 3 0 KKAFRO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061903103 562702947 /nfs/dbraw/zinc/70/29/47/562702947.db2.gz YIBWFLHBLUUTEL-HKBQPEDESA-N 1 0 506.650 5.530 3 0 KKAFRO Cn1cc(C[NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906729 562703108 /nfs/dbraw/zinc/70/31/08/562703108.db2.gz KZDWDINWVSMMAP-WJOKGBTCSA-N 1 0 506.625 5.983 3 0 KKAFRO COc1ccc(N2c3ccccc3C[N@@H+](Cc3ccccc3)C[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921051 562703118 /nfs/dbraw/zinc/70/31/18/562703118.db2.gz ZZOLLJSJHAOYSU-NDEPHWFRSA-N 1 0 524.661 6.486 3 0 KKAFRO COc1ccccc1-c1sc2cc(OC)c(OC)cc2c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000061947970 562704204 /nfs/dbraw/zinc/70/42/04/562704204.db2.gz GQKRYQCHDLPPRE-UHFFFAOYSA-N 1 0 503.664 7.126 3 0 KKAFRO COc1ccc(C[NH+](C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn32)n1 ZINC000063539875 562704531 /nfs/dbraw/zinc/70/45/31/562704531.db2.gz ILUGAYBMBIJXHC-UHFFFAOYSA-N 1 0 589.725 6.515 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000064235537 562704546 /nfs/dbraw/zinc/70/45/46/562704546.db2.gz MAIPLBUKRSVRMT-PPYDQSFFSA-N 1 0 551.042 6.058 1 0 KKAFRO C[N@@H+]1C[C@@H]2CC[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064447734 562705403 /nfs/dbraw/zinc/70/54/03/562705403.db2.gz DHOHJHINZMGEQL-ZEQRLZLVSA-N 1 0 512.621 5.284 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453799 562705637 /nfs/dbraw/zinc/70/56/37/562705637.db2.gz ZCAZCAFBWFZPCU-SFTDATJTSA-N 1 0 516.584 5.033 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2cn[nH]n2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513164 562706314 /nfs/dbraw/zinc/70/63/14/562706314.db2.gz VHZRLOCLGKGRGG-ZWEKWIFMSA-N 1 0 610.193 6.884 1 0 KKAFRO O[C@H](C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1)COc1cccc(OC(F)(F)F)c1 ZINC000064513554 562706415 /nfs/dbraw/zinc/70/64/15/562706415.db2.gz YCMOYOHTIKWGSW-HXUWFJFHSA-N 1 0 544.599 5.255 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@@]3(O)CC[NH2+]C[C@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513760 562706474 /nfs/dbraw/zinc/70/64/74/562706474.db2.gz BUELDWWCLYPLID-UVMMSNCQSA-N 1 0 597.583 6.365 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000064539587 562707549 /nfs/dbraw/zinc/70/75/49/562707549.db2.gz PFXXQIZGUIMCLN-UHFFFAOYSA-N 1 0 567.738 5.253 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000064540329 562707735 /nfs/dbraw/zinc/70/77/35/562707735.db2.gz RLDHKTIILVTVIL-YKSBVNFPSA-N 1 0 505.610 5.642 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@@]12c1ccccc1NC2=O ZINC000064559173 562708355 /nfs/dbraw/zinc/70/83/55/562708355.db2.gz BGGPCEJFXRSBSI-PPYDQSFFSA-N 1 0 516.597 5.405 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593835 562708788 /nfs/dbraw/zinc/70/87/88/562708788.db2.gz VOTBTNSFNLURLT-FSOZDLKISA-N 1 0 568.639 7.576 3 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066115 562709299 /nfs/dbraw/zinc/70/92/99/562709299.db2.gz HNONFUHKZPMDDO-QVWWMRLHSA-N 1 0 632.554 7.056 1 0 KKAFRO COc1ccccc1CN(C)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH+]1CCC(NC(C)=O)(c2ccccc2)CC1 ZINC000066066199 562709345 /nfs/dbraw/zinc/70/93/45/562709345.db2.gz BDROXNCOLLNVCM-ZORMNXRFSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073651 562709502 /nfs/dbraw/zinc/70/95/02/562709502.db2.gz VBLXYTXLCHOLLW-HVIPQOSHSA-N 1 0 582.547 6.176 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073653 562709506 /nfs/dbraw/zinc/70/95/06/562709506.db2.gz NUISDCKIKSBXQV-DICHSLLOSA-N 1 0 599.002 6.691 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073648 562709507 /nfs/dbraw/zinc/70/95/07/562709507.db2.gz VBLXYTXLCHOLLW-IEWVHIKDSA-N 1 0 582.547 6.176 1 0 KKAFRO C[C@H]1CN(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073932 562709587 /nfs/dbraw/zinc/70/95/87/562709587.db2.gz QCTSPULDYKATSX-FQEVSTJZSA-N 1 0 621.440 6.800 1 0 KKAFRO CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCC(NS(C)(=O)=O)(c2ccccc2)CC1 ZINC000066076293 562710151 /nfs/dbraw/zinc/71/01/51/562710151.db2.gz BKYRIMQMIWLUBG-SUYBVONHSA-N 1 0 600.612 5.450 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066078464 562710405 /nfs/dbraw/zinc/71/04/05/562710405.db2.gz DHQDDKPFKFTCEM-XYFQYJLHSA-N 1 0 582.547 6.176 1 0 KKAFRO C[C@H]1CN(c2ncc(C(=O)Nc3ccc(F)c(F)c3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066079085 562710572 /nfs/dbraw/zinc/71/05/72/562710572.db2.gz WCMRUXPJUJQVRU-IBGZPJMESA-N 1 0 574.503 6.094 1 0 KKAFRO Cc1cc(OCCc2cc(Cl)ccc2OCC(=O)N[C@H]2CCC[NH2+]C2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079640 562710644 /nfs/dbraw/zinc/71/06/44/562710644.db2.gz YSVQVPYNHZXRGR-MHZLTWQESA-N 1 0 558.163 5.271 1 0 KKAFRO Cc1nc2ccccc2n1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097310 562710742 /nfs/dbraw/zinc/71/07/42/562710742.db2.gz OGNORWCOELPFMG-VWLOTQADSA-N 1 0 502.684 5.134 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 ZINC000066097181 562710763 /nfs/dbraw/zinc/71/07/63/562710763.db2.gz MCBQGSWTDVDPQI-RYCFQHDISA-N 1 0 527.684 5.178 1 0 KKAFRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCCCc2c[nH]c(N)[nH+]2)nn1)CCc1ccccn1 ZINC000066097782 562710865 /nfs/dbraw/zinc/71/08/65/562710865.db2.gz STYVHPLTIXXYCS-IUXHJFJISA-N 1 0 634.914 7.417 1 0 KKAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CN4CC[NH+](C)CC4)cc3C(F)(F)F)ncc2Cl)c1 ZINC000066100348 562711246 /nfs/dbraw/zinc/71/12/46/562711246.db2.gz VZMXRYLQGIGDFH-UHFFFAOYSA-N 1 0 546.981 5.557 1 0 KKAFRO C[C@H](C[NH2+][C@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100828 562711346 /nfs/dbraw/zinc/71/13/46/562711346.db2.gz JSZDJCIBUSBZII-IAVCPEOTSA-N 1 0 629.805 6.455 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102586 562711479 /nfs/dbraw/zinc/71/14/79/562711479.db2.gz FYONRHDEVCYUIG-SITIXWHRSA-N 1 0 565.640 5.695 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCC2(O)CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103544 562711564 /nfs/dbraw/zinc/71/15/64/562711564.db2.gz XJJSTZDQCCHFFI-LQCSZWMHSA-N 1 0 582.623 5.141 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)ccc2F)cc1 ZINC000066103959 562711617 /nfs/dbraw/zinc/71/16/17/562711617.db2.gz QCJJHPGAMUPDQY-UHFFFAOYSA-N 1 0 524.702 6.525 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2ccc(F)c(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000066104057 562711671 /nfs/dbraw/zinc/71/16/71/562711671.db2.gz LXQJRVOUTZFLSN-UHFFFAOYSA-N 1 0 524.702 6.525 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123115 562712424 /nfs/dbraw/zinc/71/24/24/562712424.db2.gz HIXUNFAFDDRQIW-WNQXLSPZSA-N 1 0 626.037 6.955 3 0 KKAFRO COc1ccc(C(CCC[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1 ZINC000066252339 562714724 /nfs/dbraw/zinc/71/47/24/562714724.db2.gz DMSKRZFAFYJXTC-UHFFFAOYSA-N 1 0 548.045 7.272 1 0 KKAFRO Cc1cccc(C(CCC[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2cccc(C)c2)c1 ZINC000066252619 562714787 /nfs/dbraw/zinc/71/47/87/562714787.db2.gz QKSMSEUBLLZXND-UHFFFAOYSA-N 1 0 516.047 7.871 1 0 KKAFRO C[NH2+][C@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258697 562715049 /nfs/dbraw/zinc/71/50/49/562715049.db2.gz VXNXKOQHRMWNCX-SFHVURJKSA-N 1 0 551.539 5.056 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2oc3ccccc3c21 ZINC000066259475 562715239 /nfs/dbraw/zinc/71/52/39/562715239.db2.gz FIWQGFJQCBMHGF-UHFFFAOYSA-N 1 0 550.659 5.746 1 0 KKAFRO O=C(CC[NH+]1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259431 562715244 /nfs/dbraw/zinc/71/52/44/562715244.db2.gz OANJMMNQDTXTKD-UHFFFAOYSA-N 1 0 580.754 6.604 1 0 KKAFRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066259542 562715272 /nfs/dbraw/zinc/71/52/72/562715272.db2.gz FDDMWKKKEUOHTA-UHFFFAOYSA-N 1 0 540.749 5.879 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[C@H]([N@H+](C)C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068078763 562715694 /nfs/dbraw/zinc/71/56/94/562715694.db2.gz SOYXIWFQNXVTEV-MXYZTJPYSA-N 1 0 680.284 7.054 1 0 KKAFRO O=C(C[C@H]1c2cc(F)cc(F)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087530 562715756 /nfs/dbraw/zinc/71/57/56/562715756.db2.gz DWYMCXLNHQBOCL-LJAQVGFWSA-N 1 0 655.554 6.287 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068243677 562716057 /nfs/dbraw/zinc/71/60/57/562716057.db2.gz ACNLYDWIFLWOSO-REUBFRLUSA-N 1 0 614.221 6.903 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc([C@H](C)O)c2)c1 ZINC000070631560 562716400 /nfs/dbraw/zinc/71/64/00/562716400.db2.gz CCXLPKUGGVFGGS-AWDLRCALSA-N 1 0 631.720 5.010 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000071294927 562717015 /nfs/dbraw/zinc/71/70/15/562717015.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 1 0 600.771 5.957 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(-c4ccc(F)cc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071316163 562717831 /nfs/dbraw/zinc/71/78/31/562717831.db2.gz HYLHWMBYNMHMIZ-HSZRJFAPSA-N 1 0 505.033 7.182 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317805 562718306 /nfs/dbraw/zinc/71/83/06/562718306.db2.gz BAMUFKAYCZHEJW-QLXKLKPCSA-N 1 0 615.911 7.496 1 0 KKAFRO Cc1cccnc1O[C@H](c1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071319243 562718721 /nfs/dbraw/zinc/71/87/21/562718721.db2.gz PCRDJCMCFNPFTE-AFMDSPMNSA-N 1 0 595.493 7.151 1 0 KKAFRO Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071329427 562718879 /nfs/dbraw/zinc/71/88/79/562718879.db2.gz QCWLANQJEJNBMW-JOCHJYFZSA-N 1 0 506.477 7.798 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000071329306 562718890 /nfs/dbraw/zinc/71/88/90/562718890.db2.gz YEPHDGFKVQDXBN-HFJWLAOPSA-N 1 0 592.365 6.587 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329659 562718961 /nfs/dbraw/zinc/71/89/61/562718961.db2.gz ZPFKKRJCHIOPEY-XRHLQHRESA-N 1 0 614.923 8.101 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329643 562718970 /nfs/dbraw/zinc/71/89/70/562718970.db2.gz YZUWTIDKWIGKBL-GKVSMKOHSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329662 562718985 /nfs/dbraw/zinc/71/89/85/562718985.db2.gz ZPFKKRJCHIOPEY-CLYVBNDRSA-N 1 0 614.923 8.101 1 0 KKAFRO Cc1cccc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071330054 562719074 /nfs/dbraw/zinc/71/90/74/562719074.db2.gz YJMPQXVFNAVTQP-PPHZAIPVSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330573 562719184 /nfs/dbraw/zinc/71/91/84/562719184.db2.gz JTKFCLXNXUKHRI-WINIVTDRSA-N 1 0 591.377 7.192 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330570 562719185 /nfs/dbraw/zinc/71/91/85/562719185.db2.gz JTKFCLXNXUKHRI-PPHZAIPVSA-N 1 0 591.377 7.192 1 0 KKAFRO Cc1ccccc1/C=C1\C[N@@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1C ZINC000071334644 562719621 /nfs/dbraw/zinc/71/96/21/562719621.db2.gz ALYJDRFVACLTCQ-IDGUORLLSA-N 1 0 537.063 6.731 1 0 KKAFRO COc1cc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341830 562720071 /nfs/dbraw/zinc/72/00/71/562720071.db2.gz JJZIVINBRAZEBB-FVXVQVJUSA-N 1 0 603.741 5.111 1 0 KKAFRO COc1ccc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342008 562720117 /nfs/dbraw/zinc/72/01/17/562720117.db2.gz UDJFXWAYBUHRBB-NDHMKERHSA-N 1 0 543.689 5.093 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072103341 562720344 /nfs/dbraw/zinc/72/03/44/562720344.db2.gz LYQMRXJFAYHHGQ-WISKXVKBSA-N 1 0 676.053 6.857 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072103974 562720381 /nfs/dbraw/zinc/72/03/81/562720381.db2.gz SVKHAVGWIITPOK-HQPLKVBUSA-N 1 0 714.058 6.528 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072104777 562720614 /nfs/dbraw/zinc/72/06/14/562720614.db2.gz PCXUVPXCMZTHGL-WNQXLSPZSA-N 1 0 680.041 6.331 3 0 KKAFRO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1Cl ZINC000072104824 562720676 /nfs/dbraw/zinc/72/06/76/562720676.db2.gz VZYZMJBBYQPKEN-UHFFFAOYSA-N 1 0 500.474 5.046 1 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCCC[n+]1ccn(Cc2ccc(F)cc2F)c1 ZINC000072105294 562720729 /nfs/dbraw/zinc/72/07/29/562720729.db2.gz SVAXVGFNVVGDJZ-UHFFFAOYSA-N 1 0 539.400 5.484 1 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[n+]1cn(Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000072106562 562721030 /nfs/dbraw/zinc/72/10/30/562721030.db2.gz QMSGBQLYWAJSLF-UHFFFAOYSA-N 1 0 545.244 5.128 1 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCCCCn1c[n+](Cc2ccc(F)cc2F)cn1 ZINC000072106567 562721040 /nfs/dbraw/zinc/72/10/40/562721040.db2.gz YUKNDSJWSXWTON-UHFFFAOYSA-N 1 0 554.415 5.269 1 0 KKAFRO CCN(CC)C(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110105 562721736 /nfs/dbraw/zinc/72/17/36/562721736.db2.gz NCTWLJKEDXBDEQ-LXQNXJGFSA-N 1 0 642.275 7.683 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@H](O)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110154 562721738 /nfs/dbraw/zinc/72/17/38/562721738.db2.gz WJOOVZMVFYNXBU-BVDUFFPGSA-N 1 0 656.258 6.408 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCC(F)(F)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110358 562721769 /nfs/dbraw/zinc/72/17/69/562721769.db2.gz HJMJJISVTSQZLJ-GKRYNVPLSA-N 1 0 676.239 7.682 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(C(=O)c6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112101 562722012 /nfs/dbraw/zinc/72/20/12/562722012.db2.gz MHYNKSTXGUSVKX-FGPHBKPNSA-N 1 0 560.701 5.806 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112953 562722222 /nfs/dbraw/zinc/72/22/22/562722222.db2.gz HRDSRVILRMIPPT-LTQRKYDZSA-N 1 0 560.701 5.806 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](n5nnc6ccccc65)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072114729 562722802 /nfs/dbraw/zinc/72/28/02/562722802.db2.gz YSYMFYCHQYOCOG-IIMVBQHGSA-N 1 0 506.735 6.267 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072115358 562722988 /nfs/dbraw/zinc/72/29/88/562722988.db2.gz HEWBYZPOUNEUEA-DLSWINDVSA-N 1 0 672.875 5.575 1 0 KKAFRO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118154 562723369 /nfs/dbraw/zinc/72/33/69/562723369.db2.gz QIIPFEXSUMEYSF-XMMPIXPASA-N 1 0 560.542 7.556 1 0 KKAFRO CC(C)NC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CC[NH3+])cc2)n1 ZINC000072118167 562723434 /nfs/dbraw/zinc/72/34/34/562723434.db2.gz DAEOMHNAYZFAFQ-UHFFFAOYSA-N 1 0 563.624 5.970 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](CCC[NH3+])NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119036 562723768 /nfs/dbraw/zinc/72/37/68/562723768.db2.gz WDRRPXSNQZKAPJ-GVQINVNESA-N 1 0 658.848 5.185 1 0 KKAFRO COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072123002 562724656 /nfs/dbraw/zinc/72/46/56/562724656.db2.gz POQITDHZMAIZIM-UHFFFAOYSA-N 1 0 503.348 5.197 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2c(F)cccc12 ZINC000072123579 562724718 /nfs/dbraw/zinc/72/47/18/562724718.db2.gz FOHZQBYTJNJGFN-GDLZYMKVSA-N 1 0 524.640 5.627 1 0 KKAFRO COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCC[NH+](C)C)cc3)ncn2)c1Cl ZINC000072124686 562725132 /nfs/dbraw/zinc/72/51/32/562725132.db2.gz ZKXNIXASIHIFMC-UHFFFAOYSA-N 1 0 533.460 5.707 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126774 562725350 /nfs/dbraw/zinc/72/53/50/562725350.db2.gz SUUNCWUXVWQQTA-WISKXVKBSA-N 1 0 670.005 6.129 3 0 KKAFRO C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000072126792 562725411 /nfs/dbraw/zinc/72/54/11/562725411.db2.gz CWZXBJMDDIOGRX-MODXFSQWSA-N 1 0 651.776 7.939 1 0 KKAFRO O=S(=O)(Nc1ccc(C[C@@H]2CC[C@@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126803 562725448 /nfs/dbraw/zinc/72/54/48/562725448.db2.gz CVNUDPVQPWCUGZ-JGICCPCNSA-N 1 0 649.760 7.693 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127718 562725816 /nfs/dbraw/zinc/72/58/16/562725816.db2.gz URKCJPXHIQHWTQ-ZYADHFCISA-N 1 0 728.041 6.074 3 0 KKAFRO CCCCNC(=O)[C@@H](C)N(CC[NH+](C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128637 562726151 /nfs/dbraw/zinc/72/61/51/562726151.db2.gz LNLNGNGPLSBRDR-ZORMNXRFSA-N 1 0 668.279 5.679 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128658 562726177 /nfs/dbraw/zinc/72/61/77/562726177.db2.gz CVZSJBNOKILKBT-BBACVFHCSA-N 1 0 662.026 6.467 3 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@]12CCCN1C(=O)N(CCCC[NH+]1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128761 562726303 /nfs/dbraw/zinc/72/63/03/562726303.db2.gz HNDPSBWXLXUVKK-RRHRGVEJSA-N 1 0 710.945 5.907 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(F)cc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129835 562726472 /nfs/dbraw/zinc/72/64/72/562726472.db2.gz LRVBUEHMPJBLID-ULJKERAFSA-N 1 0 682.237 6.356 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129850 562726488 /nfs/dbraw/zinc/72/64/88/562726488.db2.gz ZHGDXFXLUIDXEX-ULJKERAFSA-N 1 0 698.692 6.870 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)CCCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129894 562726560 /nfs/dbraw/zinc/72/65/60/562726560.db2.gz BODOHUCWCQTCDD-LBWKNVSKSA-N 1 0 673.964 6.732 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072131704 562726757 /nfs/dbraw/zinc/72/67/57/562726757.db2.gz RAZAZARQWPTNSC-HLIHLSHCSA-N 1 0 684.922 6.088 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131707 562726814 /nfs/dbraw/zinc/72/68/14/562726814.db2.gz GDDLZCIDYMGDBW-DNOBIOAJSA-N 1 0 648.475 8.467 1 0 KKAFRO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135851 562727604 /nfs/dbraw/zinc/72/76/04/562727604.db2.gz ROVGVQKXMAMTLO-HQPLKVBUSA-N 1 0 712.042 6.369 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072135903 562727655 /nfs/dbraw/zinc/72/76/55/562727655.db2.gz RZBAHHBRQVWZMS-YZZMFXRHSA-N 1 0 617.790 7.128 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137971 562728552 /nfs/dbraw/zinc/72/85/52/562728552.db2.gz OPEGQSWCUZCCSS-HQPLKVBUSA-N 1 0 714.058 6.528 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138316 562728734 /nfs/dbraw/zinc/72/87/34/562728734.db2.gz RXMLNHHGSMPDLP-JWUQWVJQSA-N 1 0 593.690 6.354 3 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072139922 562729113 /nfs/dbraw/zinc/72/91/13/562729113.db2.gz SGKISRCTDKZMEW-KWRMZWAXSA-N 1 0 692.052 6.562 3 0 KKAFRO O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072141967 562729465 /nfs/dbraw/zinc/72/94/65/562729465.db2.gz VASLCTSKOJSHJP-VIDGLSEISA-N 1 0 553.625 5.093 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072142548 562729558 /nfs/dbraw/zinc/72/95/58/562729558.db2.gz VDLPWXZTFMEIKB-ANUHUJQCSA-N 1 0 643.749 9.848 3 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2C[NH2+]CC[C@@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147623 562729732 /nfs/dbraw/zinc/72/97/32/562729732.db2.gz XQJYPYVXYANJRR-IPZQJPLYSA-N 1 0 662.054 6.590 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147619 562729746 /nfs/dbraw/zinc/72/97/46/562729746.db2.gz XRZNDNRJEXKCKQ-VMPREFPWSA-N 1 0 677.069 6.510 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152652 562730103 /nfs/dbraw/zinc/73/01/03/562730103.db2.gz QYQJQQGVLMAZDD-OWGSQAEBSA-N 1 0 635.648 9.200 3 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(-c5ccc(Br)cc5)[nH]n4)c3)cc2C(F)(F)F)CC1 ZINC000072157049 562730177 /nfs/dbraw/zinc/73/01/77/562730177.db2.gz LWOQARAPSINWHX-UHFFFAOYSA-N 1 0 669.546 6.809 3 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCC[NH+](C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172022 562730624 /nfs/dbraw/zinc/73/06/24/562730624.db2.gz ZJSWKPPJEANIPJ-UHFFFAOYSA-N 1 0 516.594 5.368 1 0 KKAFRO Cc1ccc(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c(C)c1 ZINC000072173429 562730943 /nfs/dbraw/zinc/73/09/43/562730943.db2.gz ZJRYVYSMLLTUKI-RRHRGVEJSA-N 1 0 557.760 6.015 1 0 KKAFRO C[N@@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NS(=O)(=O)c6ccccc6)c5)nc5ccccn54)n3)cc2C1 ZINC000072176292 562731588 /nfs/dbraw/zinc/73/15/88/562731588.db2.gz SAKZRMKAJKEMKV-UHFFFAOYSA-N 1 0 587.709 5.991 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4C[NH+]4CCCC4)cc3OC)nc1-2 ZINC000072176312 562731598 /nfs/dbraw/zinc/73/15/98/562731598.db2.gz LTKUHPWNVCRTSA-NDEPHWFRSA-N 1 0 662.839 5.805 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180410 562732493 /nfs/dbraw/zinc/73/24/93/562732493.db2.gz KOOGZNWWYRPBFJ-XHSDSOJGSA-N 1 0 517.432 5.739 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180645 562732582 /nfs/dbraw/zinc/73/25/82/562732582.db2.gz QKKQTHMHWWMDSY-SFHVURJKSA-N 1 0 557.497 6.617 1 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCOc1cccc2c1CCC[C@@H]2CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000072181471 562732748 /nfs/dbraw/zinc/73/27/48/562732748.db2.gz KFHFKTDGQUMDJY-MGBGTMOVSA-N 1 0 689.023 7.974 1 0 KKAFRO CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139508 562733429 /nfs/dbraw/zinc/73/34/29/562733429.db2.gz AEQMXNHFCMAJOR-GDLZYMKVSA-N 1 0 540.730 5.187 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(OC(F)F)cc2)c2cccc(F)c12)C1CC1 ZINC000073140377 562733604 /nfs/dbraw/zinc/73/36/04/562733604.db2.gz XHUFNAKJPMHBAE-QNLPTKCRSA-N 1 0 599.600 5.697 1 0 KKAFRO O=C(c1cc2ccccc2[nH]1)N1CCN(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000073140949 562733666 /nfs/dbraw/zinc/73/36/66/562733666.db2.gz LLBZLFNYOYVBFX-UHFFFAOYSA-N 1 0 579.724 5.039 1 0 KKAFRO O=S(=O)(Nc1cc(-c2ccc3ncc(NCC[NH+]4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073142143 562733745 /nfs/dbraw/zinc/73/37/45/562733745.db2.gz GIFGUUZRMKEHAB-UHFFFAOYSA-N 1 0 541.052 5.183 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000073163838 562734269 /nfs/dbraw/zinc/73/42/69/562734269.db2.gz NPMCEFXQQVODJR-AREMUKBSSA-N 1 0 514.012 6.053 1 0 KKAFRO COCCCc1cccc2cccc(CN(C(=O)[C@H]3C[NH2+]CC[C@@]34OCc3cc(F)c(F)cc34)C3CC3)c21 ZINC000073195741 562734958 /nfs/dbraw/zinc/73/49/58/562734958.db2.gz HPNCTFIRUULSCT-NEEKEDPPSA-N 1 0 520.620 5.223 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196029 562735036 /nfs/dbraw/zinc/73/50/36/562735036.db2.gz PDJAYZAJEHUMDM-VLXLEUBSSA-N 1 0 538.614 5.007 1 0 KKAFRO CC[C@@H](C)[C@@]1([NH3+])CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O ZINC000073196271 562735089 /nfs/dbraw/zinc/73/50/89/562735089.db2.gz GDLPSXPOCXMLPO-VXEAUJJWSA-N 1 0 634.906 5.021 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073196376 562735136 /nfs/dbraw/zinc/73/51/36/562735136.db2.gz YRDBYJNFZJBXNY-WJOKGBTCSA-N 1 0 534.700 5.649 1 0 KKAFRO O=C(CCc1ccccc1)N1CCC[C@@H](C[NH+](Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)C1 ZINC000073197135 562735290 /nfs/dbraw/zinc/73/52/90/562735290.db2.gz WJKUPKIGLHZQON-UMSFTDKQSA-N 1 0 578.800 8.894 1 0 KKAFRO O=c1[nH]c2c(s1)c(CC[NH2+]CCc1cccc(C[NH2+]CCc3c(Cl)cccc3Cl)c1)ccc2[O-] ZINC000073197318 562735330 /nfs/dbraw/zinc/73/53/30/562735330.db2.gz CUTIFGVDJCARNG-UHFFFAOYSA-N 1 0 516.494 5.309 1 0 KKAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073197596 562735445 /nfs/dbraw/zinc/73/54/45/562735445.db2.gz PNZAQDIRJUUICA-GDLZYMKVSA-N 1 0 629.123 5.027 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2Cl)c2ccc(Br)cc2)CC1 ZINC000073198190 562735603 /nfs/dbraw/zinc/73/56/03/562735603.db2.gz SAPIKJFPEVQOKS-IBGZPJMESA-N 1 0 624.838 7.484 1 0 KKAFRO CC(C)([NH3+])C(=O)Nc1cc(-c2ccc(OCC(F)(F)F)cc2)cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073198441 562735661 /nfs/dbraw/zinc/73/56/61/562735661.db2.gz BAUOIBKYDAJGMV-QHCPKHFHSA-N 1 0 607.464 6.890 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073218954 562736151 /nfs/dbraw/zinc/73/61/51/562736151.db2.gz PKRAXBBHKJLMPT-UHFFFAOYSA-N 1 0 515.057 5.945 1 0 KKAFRO CC(C)([NH2+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccc(F)cc1 ZINC000073221372 562736307 /nfs/dbraw/zinc/73/63/07/562736307.db2.gz PISSSQWQPKYCQO-UODIDJSMSA-N 1 0 541.136 6.062 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000073221376 562736310 /nfs/dbraw/zinc/73/63/10/562736310.db2.gz GPDVLPBTNJAQJQ-IAYSKZJSSA-N 1 0 529.522 6.390 1 0 KKAFRO CC(C)([NH2+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccc(Cl)cc1 ZINC000073221275 562736315 /nfs/dbraw/zinc/73/63/15/562736315.db2.gz PSZLKYAYRISROI-UODIDJSMSA-N 1 0 557.591 6.576 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4cccc(Cl)n4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073221900 562736338 /nfs/dbraw/zinc/73/63/38/562736338.db2.gz YJVVRQDSRBRSEW-AAVWJAMMSA-N 1 0 539.145 5.757 1 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2coc3ccc(Cl)cc3c2=O)c1 ZINC000073222249 562736366 /nfs/dbraw/zinc/73/63/66/562736366.db2.gz XOCGQANBNFORCQ-GDLZYMKVSA-N 1 0 527.064 6.907 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccc(Nc3ncnc4cc(OCC5CC[NH+](C)CC5)ccc43)cc2)cc1Br ZINC000073222170 562736389 /nfs/dbraw/zinc/73/63/89/562736389.db2.gz VXYDTDVKGBVVIZ-UHFFFAOYSA-N 1 0 575.511 6.809 1 0 KKAFRO COc1ccc2c(c1)c(=O)n(CCC[NH+]1CCC(c3cccc(NC(C)=O)c3)CC1)nc2-c1ccc(Cl)cc1 ZINC000073223278 562736458 /nfs/dbraw/zinc/73/64/58/562736458.db2.gz YRVJUNSQURNVPU-UHFFFAOYSA-N 1 0 545.083 5.954 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073223517 562736522 /nfs/dbraw/zinc/73/65/22/562736522.db2.gz ZOPRMPCWLQFXSO-FPNNDXFKSA-N 1 0 569.775 5.903 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5s4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224171 562736611 /nfs/dbraw/zinc/73/66/11/562736611.db2.gz IRJUWAPOHYVOBU-UFLJZRJVSA-N 1 0 560.789 6.318 1 0 KKAFRO O=C(N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000073240763 562736939 /nfs/dbraw/zinc/73/69/39/562736939.db2.gz PLGOLQFYRFOILT-LJAQVGFWSA-N 1 0 527.064 6.907 1 0 KKAFRO C[C@H](CSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1)C[NH+](C)C ZINC000073243004 562737020 /nfs/dbraw/zinc/73/70/20/562737020.db2.gz DRQIPGIMYLZASW-NRFANRHFSA-N 1 0 570.813 6.835 1 0 KKAFRO COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390989 562738616 /nfs/dbraw/zinc/73/86/16/562738616.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 1 0 576.693 6.831 1 0 KKAFRO C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140061 562739287 /nfs/dbraw/zinc/73/92/87/562739287.db2.gz VRIZXAXAKWKFPK-HHHXNRCGSA-N 1 0 647.003 5.023 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000082153901 562740297 /nfs/dbraw/zinc/74/02/97/562740297.db2.gz JCLZEXPXKYRGIV-GOSISDBHSA-N 1 0 506.607 6.036 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2nc(-c3ccccn3)c(-c3ccccn3)nc2n1 ZINC000082155266 562740479 /nfs/dbraw/zinc/74/04/79/562740479.db2.gz JZKVNQHQWTWXFP-HXUWFJFHSA-N 1 0 528.661 5.640 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]CCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082156849 562740784 /nfs/dbraw/zinc/74/07/84/562740784.db2.gz QAPDQBMZFFLBPI-SSEXGKCCSA-N 1 0 678.032 5.968 1 0 KKAFRO COc1cccc(CN(c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000082157451 562740885 /nfs/dbraw/zinc/74/08/85/562740885.db2.gz WKCUCNKLVWTUOU-FQEVSTJZSA-N 1 0 620.419 6.839 1 0 KKAFRO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(CC[NH2+]CCc2ccc([O-])c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082159892 562741154 /nfs/dbraw/zinc/74/11/54/562741154.db2.gz NUHRBFJHZFLLAI-JOCHJYFZSA-N 1 0 523.702 6.188 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164950 562741341 /nfs/dbraw/zinc/74/13/41/562741341.db2.gz ANPQBASXSZBVPK-QIKUIUABSA-N 1 0 709.852 5.249 1 0 KKAFRO C[NH+](CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2 ZINC000082170914 562741575 /nfs/dbraw/zinc/74/15/75/562741575.db2.gz LPGLEYFWQGGWEJ-UHFFFAOYSA-N 1 0 661.810 6.072 1 0 KKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000084373618 562742886 /nfs/dbraw/zinc/74/28/86/562742886.db2.gz JSGFOPNBVQAGAL-UHFFFAOYSA-N 1 0 606.425 7.017 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](Cc2ccc(C3([N@H+](C)[C@@H](C(=O)[O-])C(C)C)CCCC3)cc2F)CC1 ZINC000084403285 562742955 /nfs/dbraw/zinc/74/29/55/562742955.db2.gz MJGLFGYVQHTJNU-MGBGTMOVSA-N 1 0 574.785 6.823 1 0 KKAFRO O[C@]1(c2ccc(F)c(F)c2)CC[NH2+]C[C@@H]1c1onc(-c2c(Cl)cccc2Cl)c1Br ZINC000084596659 562743790 /nfs/dbraw/zinc/74/37/90/562743790.db2.gz BBXHLOWFZRSHFF-GIPWTMENSA-N 1 0 504.158 5.654 1 0 KKAFRO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1 ZINC000084598217 562743997 /nfs/dbraw/zinc/74/39/97/562743997.db2.gz CVLQBOKVCROUJQ-UHFFFAOYSA-N 1 0 508.824 8.278 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084603286 562744150 /nfs/dbraw/zinc/74/41/50/562744150.db2.gz HMTUYKXYSLVGDI-NSHDSACASA-N 1 0 506.431 5.145 1 0 KKAFRO Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000084617727 562744941 /nfs/dbraw/zinc/74/49/41/562744941.db2.gz JEMFIEOMEUZLBA-HHHXNRCGSA-N 1 0 643.808 5.075 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cccc(Cl)c2)n1 ZINC000084618027 562745030 /nfs/dbraw/zinc/74/50/30/562745030.db2.gz RUZFWRMNCUTJGG-IZZNHLLZSA-N 1 0 541.086 6.332 1 0 KKAFRO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084632233 562745445 /nfs/dbraw/zinc/74/54/45/562745445.db2.gz CYOVZSWTZMONDR-AUFCLJJTSA-N 1 0 632.865 7.205 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(F)c2)n1 ZINC000084633507 562745741 /nfs/dbraw/zinc/74/57/41/562745741.db2.gz FDHSURWKOPVKQI-XZOQPEGZSA-N 1 0 543.609 5.352 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2F)n1 ZINC000084634159 562745871 /nfs/dbraw/zinc/74/58/71/562745871.db2.gz WYSDTMDWWKINPD-BJKOFHAPSA-N 1 0 559.076 6.472 1 0 KKAFRO O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084635396 562746125 /nfs/dbraw/zinc/74/61/25/562746125.db2.gz UZWLXQMCFATWND-JGCGQSQUSA-N 1 0 641.665 6.765 1 0 KKAFRO COc1cc2c(cc1OC(C)=O)[C@H]1CCc3cc(OC)c(OC)c(OC)c3[C@@H](C2)N1Cc1ccccc1 ZINC000084651976 562746352 /nfs/dbraw/zinc/74/63/52/562746352.db2.gz YKIWCNVBHLEKFN-DNQXCXABSA-N 1 0 503.595 5.433 1 0 KKAFRO Fc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084653496 562746869 /nfs/dbraw/zinc/74/68/69/562746869.db2.gz YMDHZMGPKRALSL-YTTGMZPUSA-N 1 0 546.606 5.850 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084653677 562746950 /nfs/dbraw/zinc/74/69/50/562746950.db2.gz HVQRTZRNGQANPR-FVXXUCQHSA-N 1 0 556.101 6.036 1 0 KKAFRO CC[NH+](CC)CC1CCN(c2ccc(Nc3nc4nc[nH]c4c(NC4CCCCC4)n3)c(OC)c2)CC1 ZINC000084653854 562747003 /nfs/dbraw/zinc/74/70/03/562747003.db2.gz NBRIVFGOERIQOU-UHFFFAOYSA-N 1 0 506.699 5.408 1 0 KKAFRO Cc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)c(O[C@H](C)c4ccccc4C(F)(F)F)c3)c2)sc1C[NH+](C)C ZINC000084654425 562747267 /nfs/dbraw/zinc/74/72/67/562747267.db2.gz CUQJLXJQXXVHHB-QGZVFWFLSA-N 1 0 554.638 6.687 1 0 KKAFRO O=C(NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc54)c(Cl)c3)c21)[C@@H]1CCC[NH2+]1 ZINC000084654860 562747334 /nfs/dbraw/zinc/74/73/34/562747334.db2.gz WUQQSPODIZWQJL-FQEVSTJZSA-N 1 0 534.045 5.099 1 0 KKAFRO C[C@@]1([NH3+])C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000084654832 562747360 /nfs/dbraw/zinc/74/73/60/562747360.db2.gz CJMLZWQLLIRLRX-BUEREQSYSA-N 1 0 516.995 5.560 1 0 KKAFRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084669048 562747843 /nfs/dbraw/zinc/74/78/43/562747843.db2.gz LNFWQYLBJACNJM-QHCPKHFHSA-N 1 0 566.689 6.435 1 0 KKAFRO C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4cc(NCc5ccc(-c6ccccn6)cc5)ccc4[nH]3)c2c1)c1ccccc1 ZINC000084669606 562748028 /nfs/dbraw/zinc/74/80/28/562748028.db2.gz UDUJMNSPFCQWTL-UUWRZZSWSA-N 1 0 606.734 6.813 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2cccnc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670584 562748317 /nfs/dbraw/zinc/74/83/17/562748317.db2.gz JTJAAURYQNXGPD-YHZWMNSLSA-N 1 0 687.820 5.498 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670583 562748342 /nfs/dbraw/zinc/74/83/42/562748342.db2.gz ZYELMAMLXVAEML-IJAHGLKVSA-N 1 0 673.793 5.456 1 0 KKAFRO COc1cc(CN2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670682 562748378 /nfs/dbraw/zinc/74/83/78/562748378.db2.gz DQRHHCDOOFBYIO-XMMPIXPASA-N 1 0 552.706 6.795 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084672028 562748722 /nfs/dbraw/zinc/74/87/22/562748722.db2.gz YVZUXTCONMLFMR-YYDVJCTNSA-N 1 0 596.741 5.314 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690060 562749489 /nfs/dbraw/zinc/74/94/89/562749489.db2.gz HGGQOKYQEVUFKC-SJHHWCTQSA-N 1 0 576.685 5.249 1 0 KKAFRO Fc1cc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)ccc1Cl ZINC000084709169 562750285 /nfs/dbraw/zinc/75/02/85/562750285.db2.gz TYJLQBFGIJNZAL-JGCGQSQUSA-N 1 0 581.051 6.503 1 0 KKAFRO CN(C(=O)CC[C@@H]([C@@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084711089 562750632 /nfs/dbraw/zinc/75/06/32/562750632.db2.gz FSFHOHZRPUPLEH-DFHRPNOPSA-N 1 0 504.675 5.607 1 0 KKAFRO COc1cc2c(cc1OC[C@@H]1CCC[N@H+](CCF)C1)ncnc2Nc1ccc(Br)cc1F ZINC000084722549 562751020 /nfs/dbraw/zinc/75/10/20/562751020.db2.gz CUDNVNAJWGYIIW-OAHLLOKOSA-N 1 0 507.379 5.344 1 0 KKAFRO Fc1cc(F)cc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000084723436 562751085 /nfs/dbraw/zinc/75/10/85/562751085.db2.gz IOEWHUVVOHHRDF-MUUNZHRXSA-N 1 0 520.967 6.185 1 0 KKAFRO Fc1ccccc1-c1c(-c2ccc(OCC[NH+]3CCCC3)cc2)[nH]c2ncnc(NC[C@@H]3CCCO3)c21 ZINC000084732634 562751829 /nfs/dbraw/zinc/75/18/29/562751829.db2.gz OHODOVUZCVKHQS-QFIPXVFZSA-N 1 0 501.606 5.497 1 0 KKAFRO COc1ccc(CC[NH2+]CCCOCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000084758178 562752527 /nfs/dbraw/zinc/75/25/27/562752527.db2.gz ZKSVGOIRCKFEOX-UHFFFAOYSA-N 1 0 530.492 6.631 1 0 KKAFRO COc1c(C(C)C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC[C@@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000084758455 562752630 /nfs/dbraw/zinc/75/26/30/562752630.db2.gz NOAVFVRVYCXART-IUDBTDONSA-N 1 0 589.865 7.206 1 0 KKAFRO COc1c(Br)cc(C[C@@H](C(=O)NCCc2cc(Br)c(OCCC[NH+](C)C)c(Br)c2)N(C)C)cc1Br ZINC000085735493 562753356 /nfs/dbraw/zinc/75/33/56/562753356.db2.gz OZOVQXJIZUQCKN-QFIPXVFZSA-N 1 0 743.173 5.907 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccc(N3CCN(CC[NH+]4CCCCC4)CC3)nc21 ZINC000095536955 562754314 /nfs/dbraw/zinc/75/43/14/562754314.db2.gz XAHNFBNNONRWGN-UHFFFAOYSA-N 1 0 787.878 6.807 1 0 KKAFRO O=C(N[C@H](Cc1ccccc1)C[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1cncs1 ZINC000095539366 562754993 /nfs/dbraw/zinc/75/49/93/562754993.db2.gz YKGANGZPZGMFOH-ZTJXOPACSA-N 1 0 840.066 7.271 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c(OC)c1OC ZINC000095541760 562756322 /nfs/dbraw/zinc/75/63/22/562756322.db2.gz CTPOZVITFCJCLL-QLKFWGTOSA-N 1 0 748.852 6.747 1 0 KKAFRO O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)[C@H]1C[NH2+]C[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000095543548 562757343 /nfs/dbraw/zinc/75/73/43/562757343.db2.gz LCDFLCDWPLFFSC-NSOVKSMOSA-N 1 0 630.619 5.416 1 0 in-vitro KKAFRO C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548799 562759505 /nfs/dbraw/zinc/75/95/05/562759505.db2.gz PUWXIJWAYYMLGI-FFEQUZFJSA-N 1 0 788.864 5.797 1 0 KKAFRO CCCCCC[P@](=O)(COc1ccc(CC[N@H+](C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548890 562759598 /nfs/dbraw/zinc/75/95/98/562759598.db2.gz HGLRSGVEGXDYFV-JIRHPVPXSA-N 1 0 819.937 6.583 1 0 KKAFRO O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CC[NH2+]CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O ZINC000095550328 562760082 /nfs/dbraw/zinc/76/00/82/562760082.db2.gz YHURRSCVZIYTJY-UHFFFAOYSA-N 1 0 775.957 7.898 1 0 KKAFRO CC[N@@H+]1CCC[C@H](CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095552801 562760781 /nfs/dbraw/zinc/76/07/81/562760781.db2.gz JAYGZFPMNNIDPY-JCQPUDPBSA-N 1 0 515.268 5.734 1 0 KKAFRO C[NH+](C)[C@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000095553196 562760857 /nfs/dbraw/zinc/76/08/57/562760857.db2.gz MMJWOPXNUVEYOL-AWEZNQCLSA-N 1 0 535.813 5.732 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H]([NH3+])CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553369 562760906 /nfs/dbraw/zinc/76/09/06/562760906.db2.gz ATLHHAOOYRUXSA-HUPLPMRHSA-N 1 0 801.053 6.126 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H]([NH3+])CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553370 562760933 /nfs/dbraw/zinc/76/09/33/562760933.db2.gz ATLHHAOOYRUXSA-AHLVSNMJSA-N 1 0 801.053 6.126 1 0 KKAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1 ZINC000095554504 562761317 /nfs/dbraw/zinc/76/13/17/562761317.db2.gz RNXXZGMYZLQECV-NDEPHWFRSA-N 1 0 565.666 6.356 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(C4CC[NH2+]CC4)c32)cc1 ZINC000095556454 562761815 /nfs/dbraw/zinc/76/18/15/562761815.db2.gz AGKNSWMRWVOKSF-UHFFFAOYSA-N 1 0 544.643 6.317 1 0 KKAFRO COc1cccc2oc(-c3ccc(OCCOCC[NH2+]CCOCCOc4ccc(-c5cc(=O)c6c(OC)cccc6o5)cc4)cc3)cc(=O)c12 ZINC000095559118 562762640 /nfs/dbraw/zinc/76/26/40/562762640.db2.gz JDPXAVZBPRNJCK-UHFFFAOYSA-N 1 0 693.749 6.331 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(F)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095559172 562762664 /nfs/dbraw/zinc/76/26/64/562762664.db2.gz HDXSSHQDDFZNCC-UHFFFAOYSA-N 1 0 626.680 6.255 1 0 KKAFRO C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000095559306 562762702 /nfs/dbraw/zinc/76/27/02/562762702.db2.gz VALXHTYNSBIIKC-IDXOVHGGSA-N 1 0 518.745 7.761 1 0 KKAFRO CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000095562371 562763687 /nfs/dbraw/zinc/76/36/87/562763687.db2.gz FDQHNDVVDQCJSB-XMMPIXPASA-N 1 0 561.191 9.376 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccc(F)cc4nc3-c3ccccc3)cc2)CC1 ZINC000095564632 562764407 /nfs/dbraw/zinc/76/44/07/562764407.db2.gz FYONNVQWUSQMHX-UHFFFAOYSA-N 1 0 529.619 6.995 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095565378 562764620 /nfs/dbraw/zinc/76/46/20/562764620.db2.gz LHPQGQHPHMSMSB-GLBCCIBASA-N 1 0 640.841 6.777 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095565961 562764740 /nfs/dbraw/zinc/76/47/40/562764740.db2.gz AMEWTOKWBIKYEC-XUKQSAIQSA-N 1 0 664.807 5.446 1 0 KKAFRO O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000095566148 562764791 /nfs/dbraw/zinc/76/47/91/562764791.db2.gz PSCSNFZNCDTHDQ-VIDGLSEISA-N 1 0 626.473 5.475 3 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095566346 562764900 /nfs/dbraw/zinc/76/49/00/562764900.db2.gz QMCFBRPLMVFDBX-VBEKBXFHSA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566392 562764930 /nfs/dbraw/zinc/76/49/30/562764930.db2.gz HMCLAGFKTYIJCB-NJQVLOCASA-N 1 0 648.726 6.784 1 0 KKAFRO 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 ZINC000095566420 562764933 /nfs/dbraw/zinc/76/49/33/562764933.db2.gz CGLNLVFPHXEQAP-DSNGTPCMSA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765026 /nfs/dbraw/zinc/76/50/26/562765026.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N 1 0 655.044 5.729 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566574 562765084 /nfs/dbraw/zinc/76/50/84/562765084.db2.gz RBDGKEGTWTXSMS-GTNJKRJXSA-N 1 0 590.687 6.082 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566573 562765096 /nfs/dbraw/zinc/76/50/96/562765096.db2.gz GQPLODGYDYCVNT-URCPOSBSSA-N 1 0 650.625 5.084 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566615 562765171 /nfs/dbraw/zinc/76/51/71/562765171.db2.gz DWBBIMOOPOSMMP-PCFSMJPMSA-N 1 0 617.549 6.058 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566791 562765244 /nfs/dbraw/zinc/76/52/44/562765244.db2.gz GHZMXVOCHVGOQG-VHNUMCGNSA-N 1 0 635.850 5.529 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567101 562765554 /nfs/dbraw/zinc/76/55/54/562765554.db2.gz HLJJEFQTBOXRLT-GGXMLBGGSA-N 1 0 644.816 6.379 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567173 562765605 /nfs/dbraw/zinc/76/56/05/562765605.db2.gz GJYWPGQZJRIMRE-MZXMJASYSA-N 1 0 649.877 5.458 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567318 562765660 /nfs/dbraw/zinc/76/56/60/562765660.db2.gz RRTIWHGSFRWPSK-SYZUXVNWSA-N 1 0 598.666 5.630 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567458 562765798 /nfs/dbraw/zinc/76/57/98/562765798.db2.gz UGALTWQJAJNGEN-LSJJIYBBSA-N 1 0 720.292 5.256 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567821 562766117 /nfs/dbraw/zinc/76/61/17/562766117.db2.gz VYCOOHAMPRTWAW-YHPNNPEYSA-N 1 0 719.927 6.745 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568132 562766338 /nfs/dbraw/zinc/76/63/38/562766338.db2.gz UPYOMULBLKVBBL-ZPRXKFAUSA-N 1 0 622.851 6.638 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095568347 562766492 /nfs/dbraw/zinc/76/64/92/562766492.db2.gz ORTMWWQHMCADOR-HHPFYWKMSA-N 1 0 741.178 7.375 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568364 562766553 /nfs/dbraw/zinc/76/65/53/562766553.db2.gz HTBVGGFTFZKUKZ-JJWUTGECSA-N 1 0 651.635 5.947 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568711 562766848 /nfs/dbraw/zinc/76/68/48/562766848.db2.gz WWIBJYPAJPFNSR-BTOMHAHJSA-N 1 0 635.592 7.143 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569001 562767080 /nfs/dbraw/zinc/76/70/80/562767080.db2.gz AYTPHXXENYRUGZ-WISKXVKBSA-N 1 0 646.027 6.761 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095569108 562767195 /nfs/dbraw/zinc/76/71/95/562767195.db2.gz WVAVZXUUZRXWFN-XDWGWCSASA-N 1 0 613.780 5.507 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569226 562767316 /nfs/dbraw/zinc/76/73/16/562767316.db2.gz BTOKSVPFEBLMIX-SNCSJZQCSA-N 1 0 712.719 6.384 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569334 562767323 /nfs/dbraw/zinc/76/73/23/562767323.db2.gz YDQHBDWJWTWAAY-LPBFERMMSA-N 1 0 642.675 5.359 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095569336 562767366 /nfs/dbraw/zinc/76/73/66/562767366.db2.gz QMCFBRPLMVFDBX-WGKZYHDKSA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569489 562767461 /nfs/dbraw/zinc/76/74/61/562767461.db2.gz QLYAZMSBNLAUET-MKVNITDJSA-N 1 0 692.842 5.735 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095569451 562767464 /nfs/dbraw/zinc/76/74/64/562767464.db2.gz BWUBMXZZYOWTMV-NPKFRGRUSA-N 1 0 628.692 5.639 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569507 562767488 /nfs/dbraw/zinc/76/74/88/562767488.db2.gz AEJZUCBWZLFKKV-NPKFRGRUSA-N 1 0 628.692 5.639 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570370 562768113 /nfs/dbraw/zinc/76/81/13/562768113.db2.gz ANMWFCJWJFPARY-BQYLNSIHSA-N 1 0 660.054 7.151 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095570355 562768124 /nfs/dbraw/zinc/76/81/24/562768124.db2.gz YEMFTFQZFYNTOU-BVXAZASISA-N 1 0 634.699 6.855 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571000 562768656 /nfs/dbraw/zinc/76/86/56/562768656.db2.gz HIQVTQYFSNAZIX-ANSQWYIGSA-N 1 0 627.594 6.208 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571207 562768896 /nfs/dbraw/zinc/76/88/96/562768896.db2.gz RBDGKEGTWTXSMS-UMQWNRPGSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095571239 562768908 /nfs/dbraw/zinc/76/89/08/562768908.db2.gz HOPYMWLRLXEYET-SXIDADOMSA-N 1 0 708.816 5.175 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571381 562768977 /nfs/dbraw/zinc/76/89/77/562768977.db2.gz BWUBMXZZYOWTMV-VDZJOXJSSA-N 1 0 628.692 5.639 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571422 562769073 /nfs/dbraw/zinc/76/90/73/562769073.db2.gz RZRAZDHUSITVCK-TZNXZYKKSA-N 1 0 656.828 5.327 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769147 /nfs/dbraw/zinc/76/91/47/562769147.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N 1 0 620.599 5.075 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@H+](CCF)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095572138 562769323 /nfs/dbraw/zinc/76/93/23/562769323.db2.gz PSZPFAYNFMJXDQ-XPYDGVJRSA-N 1 0 507.009 5.198 1 0 KKAFRO C[N@H+](CCCCCCCCNc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)Cc1ccccc1 ZINC000095573515 562769707 /nfs/dbraw/zinc/76/97/07/562769707.db2.gz MDZJROPINCOXAB-UHFFFAOYSA-N 1 0 545.731 7.284 1 0 KKAFRO O=C([O-])[C@H](Cc1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000095573788 562769748 /nfs/dbraw/zinc/76/97/48/562769748.db2.gz NHOMRPYETSURDH-DEOSSOPVSA-N 1 0 509.449 5.384 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(NC3CCCCC3)nc2)nn1 ZINC000095575204 562770240 /nfs/dbraw/zinc/77/02/40/562770240.db2.gz MWUBHDHHMFIRMG-UHFFFAOYSA-N 1 0 633.723 5.796 1 0 KKAFRO Cc1ccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)cc1 ZINC000095576164 562770561 /nfs/dbraw/zinc/77/05/61/562770561.db2.gz NUGRWCOCRSLONK-UHFFFAOYSA-N 1 0 545.723 9.101 1 0 KKAFRO COc1cc(OC)cc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)c1 ZINC000095577307 562770899 /nfs/dbraw/zinc/77/08/99/562770899.db2.gz XCTJCWVRAHAEPF-UHFFFAOYSA-N 1 0 591.748 8.809 1 0 KKAFRO CCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577681 562771057 /nfs/dbraw/zinc/77/10/57/562771057.db2.gz MRNBFGIRQWINAX-GMQQYTKMSA-N 1 0 562.780 5.628 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N3CCCCC3)nc2)nn1 ZINC000095578082 562771176 /nfs/dbraw/zinc/77/11/76/562771176.db2.gz BXKGOZLXSUGMSZ-UHFFFAOYSA-N 1 0 619.696 5.042 1 0 KKAFRO C[NH+](C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095578862 562771386 /nfs/dbraw/zinc/77/13/86/562771386.db2.gz VVTHOFKODCZWHN-UXDLUSBVSA-N 1 0 503.712 5.659 1 0 KKAFRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095579333 562771497 /nfs/dbraw/zinc/77/14/97/562771497.db2.gz UWRRTYUCSWJYQE-HNAOKYFASA-N 1 0 508.544 5.223 1 0 KKAFRO Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587956 562774495 /nfs/dbraw/zinc/77/44/95/562774495.db2.gz JIANCPANEHFDSY-UHFFFAOYSA-N 1 0 667.341 12.197 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@H](O)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588339 562774613 /nfs/dbraw/zinc/77/46/13/562774613.db2.gz NARRGMMZZFHNIL-SANMLTNESA-N 1 0 538.595 6.557 1 0 KKAFRO COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095588203 562774631 /nfs/dbraw/zinc/77/46/31/562774631.db2.gz APOZVOAEAUGHRO-YADHBBJMSA-N 1 0 591.709 5.177 1 0 KKAFRO COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095588983 562774779 /nfs/dbraw/zinc/77/47/79/562774779.db2.gz SNSRJILUVKITFA-UHFFFAOYSA-N 1 0 634.868 10.772 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(CC[N@@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095589816 562775051 /nfs/dbraw/zinc/77/50/51/562775051.db2.gz XONXNNHMHOBHPW-UHFFFAOYSA-N 1 0 541.651 6.542 1 0 KKAFRO COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095591613 562775689 /nfs/dbraw/zinc/77/56/89/562775689.db2.gz RDWJEDDPDHYEAR-UHFFFAOYSA-N 1 0 606.814 9.992 1 0 KKAFRO CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095595599 562776760 /nfs/dbraw/zinc/77/67/60/562776760.db2.gz RQDVVPMBVHKOHC-LIGSZVBYSA-N 1 0 640.681 6.436 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+][C@@H]4C[C@H]5CC[C@@H]4C5)c(C)c3oc2=O)ccc1O ZINC000095595858 562776846 /nfs/dbraw/zinc/77/68/46/562776846.db2.gz BTIJZRUNJHCDJY-VVZHRXSXSA-N 1 0 530.665 6.115 1 0 KKAFRO COc1ccc(Cc2nc(-c3cc(Br)c(OCCC[NH+](C)C)c(Br)c3)cnc2Cl)cc1Br ZINC000095596998 562777152 /nfs/dbraw/zinc/77/71/52/562777152.db2.gz NMERKSPOSHESBO-UHFFFAOYSA-N 1 0 648.621 7.014 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095599154 562777790 /nfs/dbraw/zinc/77/77/90/562777790.db2.gz KVYNYDNSHYPGTF-FBTROWELSA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095599294 562777937 /nfs/dbraw/zinc/77/79/37/562777937.db2.gz TWIGAEAIANFZGS-DVHCVUMVSA-N 1 0 602.629 5.841 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095599712 562778265 /nfs/dbraw/zinc/77/82/65/562778265.db2.gz RRRJJHOCKYLCQN-INRPXOMJSA-N 1 0 631.814 5.875 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095599767 562778356 /nfs/dbraw/zinc/77/83/56/562778356.db2.gz CHFYKRHHVBHPRB-YUKNNVIKSA-N 1 0 685.693 7.565 1 0 KKAFRO COc1ccc(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 ZINC000095600259 562778745 /nfs/dbraw/zinc/77/87/45/562778745.db2.gz LFZLAWVTNRSJHJ-IHLWBQKJSA-N 1 0 735.866 6.442 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600565 562779048 /nfs/dbraw/zinc/77/90/48/562779048.db2.gz UQRVVYXDOOLUAO-BEAGFIRGSA-N 1 0 723.830 6.573 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600727 562779144 /nfs/dbraw/zinc/77/91/44/562779144.db2.gz VXNFDAPCMDSUMH-QRIZJJBVSA-N 1 0 710.070 7.053 3 0 KKAFRO 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)cc2C1=O ZINC000095601245 562779503 /nfs/dbraw/zinc/77/95/03/562779503.db2.gz IMOPPOUSPRBUCB-WTBTXGFSSA-N 1 0 697.799 6.167 1 0 KKAFRO C[NH+](C)CCC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)c1 ZINC000095601910 562779761 /nfs/dbraw/zinc/77/97/61/562779761.db2.gz ASCVQXWPIHGQIB-RUZDIDTESA-N 1 0 521.621 5.593 1 0 in-vitro KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095602055 562779879 /nfs/dbraw/zinc/77/98/79/562779879.db2.gz LAXKRDZIEUDFQR-AREMUKBSSA-N 1 0 591.552 6.883 3 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095602067 562779913 /nfs/dbraw/zinc/77/99/13/562779913.db2.gz UQRVVYXDOOLUAO-NAJARDBOSA-N 1 0 723.830 6.573 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](CCc2cc3ccccc3[nH]2)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602144 562779925 /nfs/dbraw/zinc/77/99/25/562779925.db2.gz YTIUQAJUUIPSNK-HYLXNHFUSA-N 1 0 646.589 7.526 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095602295 562780010 /nfs/dbraw/zinc/78/00/10/562780010.db2.gz XVJMWCXMALPRRA-XLCATFGMSA-N 1 0 661.796 5.700 1 0 KKAFRO 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 ZINC000095603095 562780367 /nfs/dbraw/zinc/78/03/67/562780367.db2.gz UIKXZKCHSBRXDR-GHVZQYPWSA-N 1 0 705.840 6.434 1 0 KKAFRO 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(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095603427 562780565 /nfs/dbraw/zinc/78/05/65/562780565.db2.gz QKQHOPFIEPLIHC-HTWFIQDWSA-N 1 0 689.738 6.914 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095603749 562780639 /nfs/dbraw/zinc/78/06/39/562780639.db2.gz QMCFBRPLMVFDBX-FXRKCPOXSA-N 1 0 740.285 7.087 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)O3)cc1 ZINC000095604370 562780995 /nfs/dbraw/zinc/78/09/95/562780995.db2.gz ISGWUMSRLISZDA-NUNJUMJCSA-N 1 0 720.760 7.030 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095605126 562781363 /nfs/dbraw/zinc/78/13/63/562781363.db2.gz DVQUFFYKIBJZKN-WHGPLQJCSA-N 1 0 656.827 7.432 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095605164 562781448 /nfs/dbraw/zinc/78/14/48/562781448.db2.gz RXIJSVCALBVVES-FXRKCPOXSA-N 1 0 706.733 6.722 1 0 KKAFRO C[NH+](C)CCCCCC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)c1 ZINC000095605302 562781500 /nfs/dbraw/zinc/78/15/00/562781500.db2.gz UKGLEIJYSJCQAB-MUUNZHRXSA-N 1 0 563.702 6.763 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000095606411 562782068 /nfs/dbraw/zinc/78/20/68/562782068.db2.gz WYEUTPJDGLHBSW-HTGHOQDLSA-N 1 0 558.742 5.781 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1 ZINC000095607716 562783080 /nfs/dbraw/zinc/78/30/80/562783080.db2.gz YUJLCHGUGRTDHS-XIFFEERXSA-N 1 0 651.845 6.654 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000095608624 562783607 /nfs/dbraw/zinc/78/36/07/562783607.db2.gz KABZRBRZZFAAPS-SJARJILFSA-N 1 0 785.990 6.575 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095608734 562783675 /nfs/dbraw/zinc/78/36/75/562783675.db2.gz MYCAJPNVOBAEJS-RWYGWLOXSA-N 1 0 773.935 5.878 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccc(C(F)(F)F)cc3)C(=O)O[C@@]21C ZINC000095609758 562783965 /nfs/dbraw/zinc/78/39/65/562783965.db2.gz DSBMHVCSEMTJFF-JBSIADLXSA-N 1 0 769.899 5.655 1 0 KKAFRO COc1cc(C(=O)N2CCC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095610962 562784704 /nfs/dbraw/zinc/78/47/04/562784704.db2.gz YMHZUQFCCIVBOA-VZUYHUTRSA-N 1 0 787.760 8.715 1 0 KKAFRO Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@H]([NH3+])CO)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095612450 562785504 /nfs/dbraw/zinc/78/55/04/562785504.db2.gz KHPQHOQTMRAMGT-QEBBNDAHSA-N 1 0 764.974 9.217 1 0 KKAFRO CN(C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC000095613251 562786179 /nfs/dbraw/zinc/78/61/79/562786179.db2.gz PLAKJZALDCQTJA-MGBGTMOVSA-N 1 0 741.307 6.035 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095614607 562786777 /nfs/dbraw/zinc/78/67/77/562786777.db2.gz OARZXNSLQPJZNK-LOYHUUGPSA-N 1 0 820.981 5.291 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095615868 562787614 /nfs/dbraw/zinc/78/76/14/562787614.db2.gz VGGSCDDNPJJFEC-VDQNSNGVSA-N 1 0 765.993 5.273 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)C[NH+](C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2 ZINC000095665481 562788095 /nfs/dbraw/zinc/78/80/95/562788095.db2.gz YZWMPMDITONCIO-DWYUEALBSA-N 1 0 730.904 5.760 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666359 562788262 /nfs/dbraw/zinc/78/82/62/562788262.db2.gz LYMUYLCMDRKWKZ-UGIZIUIESA-N 1 0 601.791 7.002 1 0 KKAFRO COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)C[N@H+](CC2CCCCC2)[C@@H]1CO ZINC000095666479 562788286 /nfs/dbraw/zinc/78/82/86/562788286.db2.gz XKHKGEXEYHPOPX-RUZDIDTESA-N 1 0 508.732 5.107 1 0 KKAFRO 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)Cc3ccccc3)cc2C1=O ZINC000095782458 562789085 /nfs/dbraw/zinc/78/90/85/562789085.db2.gz QWTHGLUFUCUWTA-NUNJUMJCSA-N 1 0 684.705 7.102 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095838086 562789459 /nfs/dbraw/zinc/78/94/59/562789459.db2.gz IYHPIUZHKVLRCJ-HFZPWKHCSA-N 1 0 541.692 5.054 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095846498 562789495 /nfs/dbraw/zinc/78/94/95/562789495.db2.gz WAZWVLWQIWHNSB-JALBGMRZSA-N 1 0 660.812 5.987 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867035 562789791 /nfs/dbraw/zinc/78/97/91/562789791.db2.gz TYIUHSCZBUSREW-WOGZVKCMSA-N 1 0 594.583 6.642 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867098 562789801 /nfs/dbraw/zinc/78/98/01/562789801.db2.gz LYMUYLCMDRKWKZ-HFAAXNRMSA-N 1 0 601.791 7.002 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867043 562789818 /nfs/dbraw/zinc/78/98/18/562789818.db2.gz ZWEDFXZUTGJBMW-DUELTEGESA-N 1 0 593.690 6.354 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868991 562789920 /nfs/dbraw/zinc/78/99/20/562789920.db2.gz AZIJFCJKAWQBQX-DUELTEGESA-N 1 0 593.690 6.354 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCC[NH+]4CCN(C)CC4)cc3)nc12 ZINC000096167720 562790506 /nfs/dbraw/zinc/79/05/06/562790506.db2.gz BZRIMEVGBJNZTO-UHFFFAOYSA-N 1 0 537.495 6.067 1 0 KKAFRO COc1cc(Cl)ccc1-c1cccn2nc(Nc3cccc(C4CC[NH+](CC(=O)N(C)C)CC4)c3)nc12 ZINC000096169835 562790862 /nfs/dbraw/zinc/79/08/62/562790862.db2.gz HIGPCIBOAQMQMH-UHFFFAOYSA-N 1 0 519.049 5.070 1 0 KKAFRO FC(F)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]CC4)nc12 ZINC000096169831 562790885 /nfs/dbraw/zinc/79/08/85/562790885.db2.gz AWDBBSCWWQJPMJ-UHFFFAOYSA-N 1 0 503.475 5.491 1 0 KKAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169832 562790889 /nfs/dbraw/zinc/79/08/89/562790889.db2.gz DNPZJPXOXCQXPR-UHFFFAOYSA-N 1 0 588.581 5.291 1 0 KKAFRO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3cccc(C4CC[NH+](CC(=O)N(C)C)CC4)c3)nc12 ZINC000096169910 562790976 /nfs/dbraw/zinc/79/09/76/562790976.db2.gz DPDRIPIWHJZODU-UHFFFAOYSA-N 1 0 552.601 5.435 1 0 KKAFRO O=C(/C=C/C[NH2+]C12CC3CC(CC(C3)C1)C2)N1CCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000096172264 562791297 /nfs/dbraw/zinc/79/12/97/562791297.db2.gz GXLYEAVLPHCXKU-OWOJBTEDSA-N 1 0 568.574 6.741 1 0 KKAFRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c4nccnc34)cn2)CC1 ZINC000096173398 562791389 /nfs/dbraw/zinc/79/13/89/562791389.db2.gz MTJVGPHBDRHWCE-UHFFFAOYSA-N 1 0 567.477 5.410 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(N(C)CC[NH+](C)C)nc3)c3nccnc23)c1Cl ZINC000096173399 562791399 /nfs/dbraw/zinc/79/13/99/562791399.db2.gz KHUYDIMILXQKOP-UHFFFAOYSA-N 1 0 555.466 5.266 1 0 KKAFRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174011 562791581 /nfs/dbraw/zinc/79/15/81/562791581.db2.gz SZTWINYCQZKHJN-HSZRJFAPSA-N 1 0 507.642 5.134 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096173955 562791608 /nfs/dbraw/zinc/79/16/08/562791608.db2.gz ZUHVZIMLNIPCPS-UHFFFAOYSA-N 1 0 540.631 5.533 1 0 KKAFRO Cc1nc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1 ZINC000096174086 562791633 /nfs/dbraw/zinc/79/16/33/562791633.db2.gz TTZHLPKPXHCBLJ-UHFFFAOYSA-N 1 0 598.758 5.070 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 ZINC000096174843 562791819 /nfs/dbraw/zinc/79/18/19/562791819.db2.gz PBHDCPWPSOSGGD-UHFFFAOYSA-N 1 0 580.655 5.901 1 0 KKAFRO COc1cc(C2CC[NH2+]CC2)c(C)cc1Nc1nc2n[nH]c(C)c2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177922 562792485 /nfs/dbraw/zinc/79/24/85/562792485.db2.gz MTVITDZMXJRGLD-UHFFFAOYSA-N 1 0 549.701 5.115 1 0 KKAFRO Cc1cc(Nc2nc3n[nH]nc3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096177952 562792533 /nfs/dbraw/zinc/79/25/33/562792533.db2.gz HYVDZBWKEAFWAG-UHFFFAOYSA-N 1 0 578.743 5.322 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269483 562792977 /nfs/dbraw/zinc/79/29/77/562792977.db2.gz AGEBSSRVIKUYTM-HHHXNRCGSA-N 1 0 656.799 8.179 1 0 KKAFRO C[C@@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCC[NH+](C)C ZINC000096269787 562793019 /nfs/dbraw/zinc/79/30/19/562793019.db2.gz FGOBCJXNNVJAOQ-SANMLTNESA-N 1 0 733.880 7.482 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)cc1 ZINC000096269945 562793084 /nfs/dbraw/zinc/79/30/84/562793084.db2.gz ZLVZGNQVOBOSSF-UHFFFAOYSA-N 1 0 512.629 7.683 1 0 KKAFRO C[C@@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270075 562793137 /nfs/dbraw/zinc/79/31/37/562793137.db2.gz YAJBEERVPURFIL-OAQYLSRUSA-N 1 0 572.637 5.839 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c3cc(F)ccc3c2=O)cc1F ZINC000096270735 562793341 /nfs/dbraw/zinc/79/33/41/562793341.db2.gz YLDHQGFMSXOSHK-UHFFFAOYSA-N 1 0 726.180 8.174 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3c(Cl)cccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270746 562793344 /nfs/dbraw/zinc/79/33/44/562793344.db2.gz PAGRSZZWQKPHIC-UHFFFAOYSA-N 1 0 756.662 8.934 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1F ZINC000096270740 562793350 /nfs/dbraw/zinc/79/33/50/562793350.db2.gz VDRLWKQXYDMXJW-UHFFFAOYSA-N 1 0 727.715 8.010 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c3ccccc3c2=O)cc1F ZINC000096270758 562793359 /nfs/dbraw/zinc/79/33/59/562793359.db2.gz LGOXXSVEWLLEKB-UHFFFAOYSA-N 1 0 691.735 7.520 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c3ccccc3c2=O)cc1F ZINC000096270761 562793362 /nfs/dbraw/zinc/79/33/62/562793362.db2.gz QABSXSLQFVTLTK-UHFFFAOYSA-N 1 0 705.762 7.766 1 0 KKAFRO CCCOc1ccc(CCCC[NH2+][C@@H](CNc2nc(-c3ccc(Cl)cn3)nc(C)c2Cl)c2ccccc2)cc1 ZINC000096271208 562793730 /nfs/dbraw/zinc/79/37/30/562793730.db2.gz XZJRLGOVFBBLFD-NDEPHWFRSA-N 1 0 564.561 7.708 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271283 562793793 /nfs/dbraw/zinc/79/37/93/562793793.db2.gz IDYCTSRIESQCJY-UHFFFAOYSA-N 1 0 639.328 10.870 1 0 KKAFRO O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4cc(C[NH+]5CCCCC5)ccc4[nH]3)n2)cc1)C1CC1 ZINC000096271631 562793873 /nfs/dbraw/zinc/79/38/73/562793873.db2.gz FVYYEKOHBWXBII-UHFFFAOYSA-N 1 0 600.152 6.626 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096272783 562794287 /nfs/dbraw/zinc/79/42/87/562794287.db2.gz NBMMGFKSCSDKBQ-UHFFFAOYSA-N 1 0 572.175 6.704 1 0 KKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000096273398 562794484 /nfs/dbraw/zinc/79/44/84/562794484.db2.gz RIIDMJYSEKXRHA-UHFFFAOYSA-N 1 0 534.729 7.925 1 0 KKAFRO Cn1c(=O)c2cscc2c(-c2ccc(F)cc2)c1C(=O)N(CC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000096282448 562794643 /nfs/dbraw/zinc/79/46/43/562794643.db2.gz MYQLEVJUCWDMNT-UHFFFAOYSA-N 1 0 532.468 5.917 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCSc1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000096283237 562794832 /nfs/dbraw/zinc/79/48/32/562794832.db2.gz UKUKHSWKAJUWBG-UHFFFAOYSA-N 1 0 500.640 6.429 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3cc4c(cc32)OCO4)C1 ZINC000096284317 562795101 /nfs/dbraw/zinc/79/51/01/562795101.db2.gz QWHFPXRGLCTIKB-QTISVLPJSA-N 1 0 556.547 6.541 1 0 KKAFRO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284319 562795106 /nfs/dbraw/zinc/79/51/06/562795106.db2.gz HGIIMDRTEYJJSV-QURRFSBHSA-N 1 0 556.591 7.211 1 0 KKAFRO COc1ccc2c(c1OC)CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284312 562795117 /nfs/dbraw/zinc/79/51/17/562795117.db2.gz GSBZMKJOQZFHPM-LXHIVTORSA-N 1 0 572.590 6.830 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000096284320 562795134 /nfs/dbraw/zinc/79/51/34/562795134.db2.gz LWEWQRGMLFNAIT-WIOYSNFSSA-N 1 0 542.564 6.908 1 0 KKAFRO C[C@H](c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285301 562795457 /nfs/dbraw/zinc/79/54/57/562795457.db2.gz FPXHABRAFBDZTO-OAQYLSRUSA-N 1 0 607.586 5.772 1 0 KKAFRO CCCN1C[C@@H](c2ccccc2)N(C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285355 562795523 /nfs/dbraw/zinc/79/55/23/562795523.db2.gz DAQIALJXQJYJBM-BWKNWUBXSA-N 1 0 526.125 5.214 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000096285371 562795570 /nfs/dbraw/zinc/79/55/70/562795570.db2.gz VXUHJSADHJEBBJ-LYZGTLIUSA-N 1 0 567.178 5.531 1 0 KKAFRO Cc1ccccc1[C@H]1CN(C2CCCCC2)C(=O)N1C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285426 562795648 /nfs/dbraw/zinc/79/56/48/562795648.db2.gz MZSUZRLLPGOZDL-RNWIMVQKSA-N 1 0 546.760 5.186 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096285460 562795684 /nfs/dbraw/zinc/79/56/84/562795684.db2.gz WFKZOGGTBBNGQC-LYZGTLIUSA-N 1 0 550.723 5.017 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285532 562795820 /nfs/dbraw/zinc/79/58/20/562795820.db2.gz AZUWGFNMKLGVNC-SIBVEZHUSA-N 1 0 633.518 5.036 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285540 562795835 /nfs/dbraw/zinc/79/58/35/562795835.db2.gz KTHDFFITHWGQIL-IDISGSTGSA-N 1 0 629.555 5.206 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000096302070 562796242 /nfs/dbraw/zinc/79/62/42/562796242.db2.gz ZTZVDDZSGANOSN-KCTCJIHVSA-N 1 0 542.768 5.888 1 0 KKAFRO CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO ZINC000096902425 562797389 /nfs/dbraw/zinc/79/73/89/562797389.db2.gz UNALXIWYSATRFG-XTDKSSFHSA-N 1 0 590.849 6.100 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907742 562799235 /nfs/dbraw/zinc/79/92/35/562799235.db2.gz DUMWFMFWWQGRCL-SXSCYYOBSA-N 1 0 664.644 7.035 1 0 KKAFRO CC[NH+](CC)CCCOc1cc2ncnc(Nc3nc4ccc(C(=O)Nc5c(C)cccc5C)cc4s3)c2cc1OC ZINC000096908953 562799468 /nfs/dbraw/zinc/79/94/68/562799468.db2.gz PFXIEXGMRXOZJO-UHFFFAOYSA-N 1 0 584.746 6.972 1 0 KKAFRO CC[NH+](CC)CCCOc1cc2ncnc(Nc3nc4ccc(C(=O)Nc5c(C)cc(C)cc5C)cc4s3)c2cc1OC ZINC000096908967 562799507 /nfs/dbraw/zinc/79/95/07/562799507.db2.gz YYOPHTGHQGQTRN-UHFFFAOYSA-N 1 0 598.773 7.280 1 0 KKAFRO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909811 562799744 /nfs/dbraw/zinc/79/97/44/562799744.db2.gz GWTGUGUODHYXIX-QFIPXVFZSA-N 1 0 531.454 5.434 1 0 KKAFRO Cc1ccc2c(I)cc(I)c(OC[C@@H](C)CC[NH2+]Cc3ccc(Cl)cc3)c2n1 ZINC000096910431 562799997 /nfs/dbraw/zinc/79/99/97/562799997.db2.gz LWKSUSYOIDUWAO-AWEZNQCLSA-N 1 0 620.700 6.601 1 0 KKAFRO O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000096910456 562800003 /nfs/dbraw/zinc/80/00/03/562800003.db2.gz SZYZXWPHGKHZCA-UHFFFAOYSA-N 1 0 684.681 6.117 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000096921423 562801404 /nfs/dbraw/zinc/80/14/04/562801404.db2.gz UAOWACOVBZWCJS-XUTHUYCTSA-N 1 0 764.367 5.647 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000096921425 562801428 /nfs/dbraw/zinc/80/14/28/562801428.db2.gz UAOWACOVBZWCJS-KQIHHXPCSA-N 1 0 764.367 5.647 1 0 KKAFRO CC[NH+]1CCN(CN2C(=O)S[C@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921568 562801476 /nfs/dbraw/zinc/80/14/76/562801476.db2.gz MVJZVYGZPFMUAF-XCZPVHLTSA-N 1 0 548.112 5.261 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923972 562802162 /nfs/dbraw/zinc/80/21/62/562802162.db2.gz PLLWOIRCBAIRMF-SSEXGKCCSA-N 1 0 567.199 5.532 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c3ccccc3n2)c1 ZINC000096927160 562802602 /nfs/dbraw/zinc/80/26/02/562802602.db2.gz ZNVZTGYDJOOFKD-UHFFFAOYSA-N 1 0 672.757 8.516 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(F)cc32)cc1F ZINC000096927166 562802615 /nfs/dbraw/zinc/80/26/15/562802615.db2.gz YCHICXJMFVCFQB-UHFFFAOYSA-N 1 0 688.775 9.345 1 0 KKAFRO CCOc1cc(N)c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000096928310 562802880 /nfs/dbraw/zinc/80/28/80/562802880.db2.gz KUMUCDJXWXYHEV-UHFFFAOYSA-N 1 0 646.163 6.291 1 0 KKAFRO O=C1C[C@@H](c2ccccc2)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2O1 ZINC000096929486 562803059 /nfs/dbraw/zinc/80/30/59/562803059.db2.gz AKQZHGSOGBAINA-MHZLTWQESA-N 1 0 514.597 6.447 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000096937802 562804349 /nfs/dbraw/zinc/80/43/49/562804349.db2.gz WADKCQYSBYIOSO-PFATUAPWSA-N 1 0 546.983 7.466 1 0 KKAFRO CN1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)CC[NH+]5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938703 562804559 /nfs/dbraw/zinc/80/45/59/562804559.db2.gz NLLOFMHRMXITTH-NTCAYCPXSA-N 1 0 594.735 5.262 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](CCCC(F)(F)F)CC3)no2)cc1 ZINC000096939424 562804812 /nfs/dbraw/zinc/80/48/12/562804812.db2.gz BYTFADJQKXHJJW-UHFFFAOYSA-N 1 0 548.562 5.148 1 0 KKAFRO O=C1[O+]=NN(c2ccc(Cl)cc2)C1c1nn2cc(-c3cc4cc(Br)ccc4oc3=O)nc2s1 ZINC000098082973 562805376 /nfs/dbraw/zinc/80/53/76/562805376.db2.gz RDOBBKZBDJJXLL-UHFFFAOYSA-O 1 0 543.766 5.413 1 0 KKAFRO CCn1c2ccccc2c2cc(Nc3nc(Nc4ccc5[nH+]c(C)cc(N)c5c4)nc(SC)n3)ccc21 ZINC000098084092 562805579 /nfs/dbraw/zinc/80/55/79/562805579.db2.gz NSVLOYUUJBWPHE-UHFFFAOYSA-N 1 0 506.639 6.647 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)C(CCCCC)C1C(=O)OCCc1ccc(N(C)C)cc1 ZINC000100033945 562806259 /nfs/dbraw/zinc/80/62/59/562806259.db2.gz JSKRAXYURWRRRD-JLPMCGNQSA-N 1 0 561.767 6.878 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000100037105 562806307 /nfs/dbraw/zinc/80/63/07/562806307.db2.gz QCUCGGLZTFSKRO-VBBMGMQESA-N 1 0 530.621 6.337 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OCC(C)C ZINC000100050458 562806422 /nfs/dbraw/zinc/80/64/22/562806422.db2.gz ZQFLGVVZOZAMMA-GAPOMRBKSA-N 1 0 508.615 5.947 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076229 562806619 /nfs/dbraw/zinc/80/66/19/562806619.db2.gz KEMAKHVGQXKNSZ-RLPLKTQASA-N 1 0 554.739 5.701 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)C)C2 ZINC000100076414 562806669 /nfs/dbraw/zinc/80/66/69/562806669.db2.gz VNEIBFASYIAQIK-CSSKISATSA-N 1 0 582.793 6.337 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F ZINC000101132180 562809392 /nfs/dbraw/zinc/80/93/92/562809392.db2.gz HNTIGZIKHBPAFD-BGYRXZFFSA-N 1 0 549.030 5.889 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143958 562809455 /nfs/dbraw/zinc/80/94/55/562809455.db2.gz IZTNHWMAUPLTML-LAKWIPNFSA-N 1 0 510.037 5.676 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(Cc2ncc[nH]2)CC1 ZINC000101193291 562809814 /nfs/dbraw/zinc/80/98/14/562809814.db2.gz IOYLAJJIHILCGL-KUMHGWDASA-N 1 0 508.714 5.860 1 0 KKAFRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000101338102 562810363 /nfs/dbraw/zinc/81/03/63/562810363.db2.gz FLAHASYXGZSGHY-XYLBCIRHSA-N 1 0 538.601 5.800 1 0 KKAFRO NC(C=O)c1cccc(N2C(=O)N(c3cccc(C(=[NH2+])NO)c3)[C@@H](CCc3ccccc3)[C@H](O)[C@@H]2Cc2ccccc2)c1 ZINC000101370503 562810450 /nfs/dbraw/zinc/81/04/50/562810450.db2.gz RSDCQRDGVPPDHN-VIKGXHKYSA-N 1 0 577.685 5.226 1 0 KKAFRO Cc1ccc(CC(C)(C)[C@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)o1 ZINC000101491120 562811000 /nfs/dbraw/zinc/81/10/00/562811000.db2.gz RFOCKHDQNXMQBS-DLLPINGYSA-N 1 0 534.660 6.385 1 0 KKAFRO CNC(=O)[C@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511139 562811141 /nfs/dbraw/zinc/81/11/41/562811141.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 1 0 611.781 6.702 1 0 KKAFRO COc1cc(OC(=O)[C@H]2CC[C@H]([NH+](C)[C@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101519233 562811205 /nfs/dbraw/zinc/81/12/05/562811205.db2.gz OVPVKROOCINTRG-PZHPOIIISA-N 1 0 615.720 5.299 1 0 KKAFRO O=C(CC[NH2+]CCN1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696196 562811796 /nfs/dbraw/zinc/81/17/96/562811796.db2.gz KHULYPXMXAEHJH-UHFFFAOYSA-N 1 0 610.780 6.069 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696417 562811927 /nfs/dbraw/zinc/81/19/27/562811927.db2.gz VIZBXKRLYCJXKN-UHFFFAOYSA-N 1 0 500.620 5.605 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3SC=C(C)N3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929157 562813549 /nfs/dbraw/zinc/81/35/49/562813549.db2.gz SOIKWGFTIHYYLR-UGWFNERFSA-N 1 0 519.667 5.715 1 0 KKAFRO CCCC[NH+](CCCC)CCCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103165495 562814604 /nfs/dbraw/zinc/81/46/04/562814604.db2.gz FYCRTWXOWMKVNF-UHFFFAOYSA-N 1 0 623.896 8.250 1 0 KKAFRO Cc1ccccc1OCc1ccccc1-c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000103198748 562815993 /nfs/dbraw/zinc/81/59/93/562815993.db2.gz DNLRFNRIYADZAZ-UHFFFAOYSA-N 1 0 545.752 7.605 1 0 KKAFRO O=c1c(Cc2cccs2)cc(-c2ccccc2)nn1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000103220516 562817423 /nfs/dbraw/zinc/81/74/23/562817423.db2.gz BVLUJWNOMYFAQA-UHFFFAOYSA-N 1 0 505.087 5.428 1 0 KKAFRO Cc1nc2ccncc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224988 562817603 /nfs/dbraw/zinc/81/76/03/562817603.db2.gz KUYHSTQINAUJNF-GWMMUDDPSA-N 1 0 529.710 5.060 1 0 KKAFRO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CC[NH+]3CCCCC3)[C@@H]12 ZINC000103224883 562817630 /nfs/dbraw/zinc/81/76/30/562817630.db2.gz CKCZKCHLYCASCT-SNTUXTEOSA-N 1 0 512.738 7.636 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227171 562817883 /nfs/dbraw/zinc/81/78/83/562817883.db2.gz CVHWQXDNAXTQFI-QODLHPCFSA-N 1 0 548.722 6.802 1 0 KKAFRO Clc1ccccc1C(c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Br)cn1)C2 ZINC000103228800 562818065 /nfs/dbraw/zinc/81/80/65/562818065.db2.gz PACSMIQKJYSAAX-GGPHIMKMSA-N 1 0 502.283 7.651 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(C)c(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(C(C)=O)c(OC)c3)c2)c1 ZINC000103228650 562818027 /nfs/dbraw/zinc/81/80/27/562818027.db2.gz NFBFWFSIBBAXHX-UHFFFAOYSA-N 1 0 549.668 6.255 1 0 KKAFRO Fc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(F)cc2)cc1 ZINC000103230159 562818156 /nfs/dbraw/zinc/81/81/56/562818156.db2.gz OHKCOQGAJDGEIC-AUEATDLBSA-N 1 0 504.005 7.017 1 0 KKAFRO Fc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230115 562818162 /nfs/dbraw/zinc/81/81/62/562818162.db2.gz MEIKWAUCZKJDPF-OEJOPCPASA-N 1 0 520.460 7.532 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103234831 562818683 /nfs/dbraw/zinc/81/86/83/562818683.db2.gz WBMRGUYVKHMYAF-GPOLMCQNSA-N 1 0 581.632 7.816 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234826 562818693 /nfs/dbraw/zinc/81/86/93/562818693.db2.gz DOGFRBKPJABURT-WLNZHLEZSA-N 1 0 601.622 8.084 1 0 KKAFRO C[NH+](C)CCNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1 ZINC000103235681 562818701 /nfs/dbraw/zinc/81/87/01/562818701.db2.gz VKVNPOVQPAJWLH-UHFFFAOYSA-N 1 0 502.594 5.096 1 0 KKAFRO F[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000103237130 562818974 /nfs/dbraw/zinc/81/89/74/562818974.db2.gz FBWBPFFZPJJSGX-QFIPXVFZSA-N 1 0 565.369 6.856 1 0 KKAFRO CC(C)(C)C[NH+]1CCC(c2ccccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000103239116 562819296 /nfs/dbraw/zinc/81/92/96/562819296.db2.gz KNECEHLDOUTFJU-UHFFFAOYSA-N 1 0 542.602 7.642 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@@]2(c3cnc(Cl)cc3NC2=O)[C@@H]1c1cccc(Cl)c1F ZINC000103254042 562820619 /nfs/dbraw/zinc/82/06/19/562820619.db2.gz CGCOPBXAGSCZNX-FTEAIBIHSA-N 1 0 614.505 5.024 1 0 KKAFRO CC(C)(C)CC[N@@H+]1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000103261483 562821393 /nfs/dbraw/zinc/82/13/93/562821393.db2.gz RPZBTBIEZRHXHF-MHZLTWQESA-N 1 0 518.624 5.099 1 0 KKAFRO O=C(Nc1cnc2[nH]ccc2c1)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263323 562821706 /nfs/dbraw/zinc/82/17/06/562821706.db2.gz XXORIRONIFRBGZ-UHFFFAOYSA-N 1 0 502.018 6.139 1 0 KKAFRO O=C(Nc1cnc(-c2ccccc2)nc1)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263348 562821725 /nfs/dbraw/zinc/82/17/25/562821725.db2.gz DSCYOJJXDIHONL-UHFFFAOYSA-N 1 0 540.067 6.719 1 0 KKAFRO CC[NH+](CC)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000103264967 562822062 /nfs/dbraw/zinc/82/20/62/562822062.db2.gz OVIAUESQPLONLG-UHFFFAOYSA-N 1 0 563.624 7.497 1 0 KKAFRO Cc1ccc(C[NH+]2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265820 562822139 /nfs/dbraw/zinc/82/21/39/562822139.db2.gz IFNNCTFTQBACJL-UHFFFAOYSA-N 1 0 575.635 7.641 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000103280300 562823503 /nfs/dbraw/zinc/82/35/03/562823503.db2.gz HDPWKYAOGUUHKO-UUWRZZSWSA-N 1 0 593.768 5.691 1 0 KKAFRO O=c1c(-c2nnc(-c3ccc(Nc4ccccc4)cc3)o2)cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc12 ZINC000103289865 562824105 /nfs/dbraw/zinc/82/41/05/562824105.db2.gz DAGZUHVLQROUPP-UHFFFAOYSA-N 1 0 522.584 5.346 1 0 KKAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)C(=O)NCc1ccccc1 ZINC000103298035 562824681 /nfs/dbraw/zinc/82/46/81/562824681.db2.gz RETCJQQQWQAHTD-WEZIJMHWSA-N 1 0 582.708 5.139 1 0 KKAFRO COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298987 562824836 /nfs/dbraw/zinc/82/48/36/562824836.db2.gz STOMVKQWZGWSMR-NDEPHWFRSA-N 1 0 634.781 5.728 1 0 KKAFRO CC[N@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccc(OC)cc1 ZINC000103299668 562824888 /nfs/dbraw/zinc/82/48/88/562824888.db2.gz YBLRBPIBVJGKEZ-ZHACJKMWSA-N 1 0 503.683 7.344 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000114034918 562826988 /nfs/dbraw/zinc/82/69/88/562826988.db2.gz GNNKRLDSHAWPBS-UHFFFAOYSA-N 1 0 531.056 5.963 1 0 KKAFRO CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC000114037517 562827079 /nfs/dbraw/zinc/82/70/79/562827079.db2.gz CVTUKVIQVMHDFD-SFHVURJKSA-N 1 0 518.017 5.538 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000114037977 562827217 /nfs/dbraw/zinc/82/72/17/562827217.db2.gz DYIDCYKYUPJJTQ-SZPZYZBQSA-N 1 0 522.089 6.927 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000114098808 562827584 /nfs/dbraw/zinc/82/75/84/562827584.db2.gz XXEWRUZFINTDJJ-SFHVURJKSA-N 1 0 513.000 5.931 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12 ZINC000114348801 562828094 /nfs/dbraw/zinc/82/80/94/562828094.db2.gz MLRUASYAPWIQDS-RUZDIDTESA-N 1 0 544.606 5.288 1 0 KKAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000114349938 562828124 /nfs/dbraw/zinc/82/81/24/562828124.db2.gz BMYPGRZADREWCU-HSZRJFAPSA-N 1 0 536.558 5.105 1 0 KKAFRO O=S(=O)(NCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114601373 562828405 /nfs/dbraw/zinc/82/84/05/562828405.db2.gz XTENPQMXIHRLGV-UHFFFAOYSA-N 1 0 508.040 5.383 1 0 KKAFRO O=C(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000114977821 562828527 /nfs/dbraw/zinc/82/85/27/562828527.db2.gz VPZAEUSPWYHBLF-AREMUKBSSA-N 1 0 529.895 6.764 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978910 562828578 /nfs/dbraw/zinc/82/85/78/562828578.db2.gz JNHNPCGNAQZXRG-SMCANUKXSA-N 1 0 624.203 5.358 1 0 KKAFRO COc1cccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000114979908 562828609 /nfs/dbraw/zinc/82/86/09/562828609.db2.gz WFJSSASOIKUMFW-MHZLTWQESA-N 1 0 527.086 5.015 1 0 KKAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)Nc1ccccc1 ZINC000114979873 562828622 /nfs/dbraw/zinc/82/86/22/562828622.db2.gz LURIDLSLHFGGET-HHHXNRCGSA-N 1 0 511.087 5.860 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)nc(Nc2ccc(C3C[NH+](C)C3)cc2)c1=O ZINC000116053870 562829131 /nfs/dbraw/zinc/82/91/31/562829131.db2.gz CYSHUCFVBCZQQO-UHFFFAOYSA-N 1 0 613.759 5.241 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000117350925 562829771 /nfs/dbraw/zinc/82/97/71/562829771.db2.gz WTRRMIIIWYZWES-QFIPXVFZSA-N 1 0 577.559 5.369 1 0 KKAFRO O=C(Nc1nc2cc(C[NH+]3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 ZINC000117542784 562829786 /nfs/dbraw/zinc/82/97/86/562829786.db2.gz DQEKCEBMQCYICP-UHFFFAOYSA-N 1 0 522.571 5.817 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCOc2ccc(NC(=O)c3cccc4c3Nc3ccccc3S4)cc2)cc1OC ZINC000135734898 562831028 /nfs/dbraw/zinc/83/10/28/562831028.db2.gz CSLHVZLXSFVZER-UHFFFAOYSA-N 1 0 555.700 6.718 1 0 KKAFRO COc1cc(C[NH+]2CCCC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138475593 562831900 /nfs/dbraw/zinc/83/19/00/562831900.db2.gz SVZMTGLYQSIFTP-UHFFFAOYSA-N 1 0 513.520 5.221 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529327 562832019 /nfs/dbraw/zinc/83/20/19/562832019.db2.gz IPQMMHOXXCGSDM-FDFHNCONSA-N 1 0 571.471 6.298 1 0 KKAFRO CCCCCCOc1ccc(C(=O)NCCC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C\c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000138610744 562832095 /nfs/dbraw/zinc/83/20/95/562832095.db2.gz QOUPAVXNDDTMQS-JCMCFYGESA-N 1 0 630.701 8.174 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928460 562832274 /nfs/dbraw/zinc/83/22/74/562832274.db2.gz YTHUQGIGAIZNIM-GDLZYMKVSA-N 1 0 519.653 5.078 1 0 KKAFRO CCN1c2ccc(OCCC[N@H+](CCn3ccc4sccc4c3=O)Cc3cccnc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139593134 562832640 /nfs/dbraw/zinc/83/26/40/562832640.db2.gz CBJBDCXJQSNMSZ-UHFFFAOYSA-N 1 0 601.773 5.093 1 0 KKAFRO CN(C)C(=O)NC1(c2ccccc2)CC[NH+](CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000140043900 562832850 /nfs/dbraw/zinc/83/28/50/562832850.db2.gz XWPBINGFFFZAOZ-UUWRZZSWSA-N 1 0 621.653 7.210 1 0 KKAFRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)CC1 ZINC000140498824 562833104 /nfs/dbraw/zinc/83/31/04/562833104.db2.gz HGBVOBYWCCNENZ-NRFANRHFSA-N 1 0 564.693 5.913 1 0 KKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140570420 562833152 /nfs/dbraw/zinc/83/31/52/562833152.db2.gz BFYZNAOKDWKLBO-ZEQKJWHPSA-N 1 0 584.683 5.616 1 0 KKAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccc6ccccc6c5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685213 562833271 /nfs/dbraw/zinc/83/32/71/562833271.db2.gz ZMFQMLNWUFCHEL-OUTSHDOLSA-N 1 0 604.717 6.581 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(NC(=O)/C=C/C[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141457201 562833613 /nfs/dbraw/zinc/83/36/13/562833613.db2.gz WIVJEMFJDXIPRD-FNORWQNLSA-N 1 0 575.595 5.918 1 0 KKAFRO Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000142205491 562834026 /nfs/dbraw/zinc/83/40/26/562834026.db2.gz QUVIJLUFZZROBR-NZQKXSOJSA-N 1 0 525.523 5.320 1 0 KKAFRO Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000142205706 562834041 /nfs/dbraw/zinc/83/40/41/562834041.db2.gz QUVIJLUFZZROBR-REWPJTCUSA-N 1 0 525.523 5.320 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280484 562834097 /nfs/dbraw/zinc/83/40/97/562834097.db2.gz DPRHDWBFUWCIKZ-SIKLNZKXSA-N 1 0 511.496 5.012 1 0 KKAFRO COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2c1CO ZINC000143020017 562834511 /nfs/dbraw/zinc/83/45/11/562834511.db2.gz WYKHGGZTSNAFCH-UHFFFAOYSA-N 1 0 608.653 5.402 1 0 KKAFRO COc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)ccc1F ZINC000143445312 562835052 /nfs/dbraw/zinc/83/50/52/562835052.db2.gz XIKQJZOZTRSSFJ-UHFFFAOYSA-N 1 0 514.604 7.369 1 0 KKAFRO [NH3+][C@H]1CC=CC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143596948 562835202 /nfs/dbraw/zinc/83/52/02/562835202.db2.gz PCYIUCLPLHBZKW-WDSKDSINSA-N 1 0 543.883 5.071 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143737609 562835232 /nfs/dbraw/zinc/83/52/32/562835232.db2.gz CEVVHHOKZMIXGC-XFCANUNOSA-N 1 0 531.700 6.084 1 0 KKAFRO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326652 562836144 /nfs/dbraw/zinc/83/61/44/562836144.db2.gz STDFAKVCYZKPQE-ZEQRLZLVSA-N 1 0 527.815 8.587 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)C(C)(C)O3)n1 ZINC000145972121 562837839 /nfs/dbraw/zinc/83/78/39/562837839.db2.gz ROVOEOHUBYJOKE-UHFFFAOYSA-N 1 0 603.573 5.357 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@H]3C)n1 ZINC000145958399 562837843 /nfs/dbraw/zinc/83/78/43/562837843.db2.gz HSIRDEQVAUEWFK-OAHLLOKOSA-N 1 0 604.029 6.207 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145962969 562837867 /nfs/dbraw/zinc/83/78/67/562837867.db2.gz GRZJPVAPKXQOIA-UHFFFAOYSA-N 1 0 573.547 5.132 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146007412 562837968 /nfs/dbraw/zinc/83/79/68/562837968.db2.gz HZMAWNDVYWVYAC-INIZCTEOSA-N 1 0 584.599 5.011 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146046074 562838057 /nfs/dbraw/zinc/83/80/57/562838057.db2.gz ZVALDEJYTUSGEA-OAHLLOKOSA-N 1 0 585.492 5.299 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3cccc(CN4CC[NH+](C)CC4)c3)ncc2C1 ZINC000146196581 562838304 /nfs/dbraw/zinc/83/83/04/562838304.db2.gz HJRJXYSRPDUZLG-UHFFFAOYSA-N 1 0 615.704 6.110 1 0 KKAFRO CCN(CC)C(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146360983 562838501 /nfs/dbraw/zinc/83/85/01/562838501.db2.gz JLMVLYYCQLMTCP-VSGBNLITSA-N 1 0 603.881 5.295 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146854394 562838806 /nfs/dbraw/zinc/83/88/06/562838806.db2.gz CQOOBCLBMYGVDE-GDLZYMKVSA-N 1 0 509.654 6.010 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+][C@H](C=C2CCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000147063382 562839110 /nfs/dbraw/zinc/83/91/10/562839110.db2.gz YKCVEPHDYMRWRN-CTPKDOPXSA-N 1 0 572.508 5.367 1 0 KKAFRO CCCCC(C)(C)C[C@H]1[N@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147070431 562839151 /nfs/dbraw/zinc/83/91/51/562839151.db2.gz ZFLZYDMLKYMRQF-RFHZMROGSA-N 1 0 608.582 5.255 1 0 KKAFRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)C2)c2ccccc21 ZINC000147816523 562839706 /nfs/dbraw/zinc/83/97/06/562839706.db2.gz RGTYBJZXIVQKPF-XMMPIXPASA-N 1 0 505.622 5.051 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CCCC6)nc45)c3)cc(C(F)(F)F)c2)CC1 ZINC000148054669 562840007 /nfs/dbraw/zinc/84/00/07/562840007.db2.gz RSNDMUVGDLUKRD-UHFFFAOYSA-N 1 0 620.684 5.067 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148105296 562840194 /nfs/dbraw/zinc/84/01/94/562840194.db2.gz SQTXKKBDUXZYKY-UHFFFAOYSA-N 1 0 608.694 5.892 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000148111997 562840246 /nfs/dbraw/zinc/84/02/46/562840246.db2.gz OCYDBUPISUBRLC-UHFFFAOYSA-N 1 0 626.634 6.574 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148116719 562840253 /nfs/dbraw/zinc/84/02/53/562840253.db2.gz IENIWKYLFYGQOM-UHFFFAOYSA-N 1 0 612.660 6.951 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148138103 562840317 /nfs/dbraw/zinc/84/03/17/562840317.db2.gz HPMNWSCVNKKPTL-UHFFFAOYSA-N 1 0 562.600 5.913 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CCC[N@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCF)nc21 ZINC000148332925 562841072 /nfs/dbraw/zinc/84/10/72/562841072.db2.gz BOFICKPACSIRRH-UHFFFAOYSA-N 1 0 611.648 5.291 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC(C[NH+](C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148373845 562841233 /nfs/dbraw/zinc/84/12/33/562841233.db2.gz XHKLZMVXSMJKSZ-UHFFFAOYSA-N 1 0 594.642 5.530 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@H]3C)n1 ZINC000148437720 562841294 /nfs/dbraw/zinc/84/12/94/562841294.db2.gz CTTGDSKEPYUNTA-QGZVFWFLSA-N 1 0 555.601 5.914 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Sc2ccccc2)n1 ZINC000148457340 562841337 /nfs/dbraw/zinc/84/13/37/562841337.db2.gz POTDGSBFZPVEBO-UHFFFAOYSA-N 1 0 535.567 5.362 1 0 KKAFRO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148627140 562841568 /nfs/dbraw/zinc/84/15/68/562841568.db2.gz VKAMGQWMKDQIKE-QHCPKHFHSA-N 1 0 501.067 5.407 1 0 KKAFRO COc1cc(N2CCC([N@@H+]3CCCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148746904 562841740 /nfs/dbraw/zinc/84/17/40/562841740.db2.gz ZRFJCNOHKKQRSS-UHFFFAOYSA-N 1 0 598.132 5.480 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148758093 562841800 /nfs/dbraw/zinc/84/18/00/562841800.db2.gz KJWZHCRQZUOQJR-UHFFFAOYSA-N 1 0 555.063 5.938 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148918327 562841961 /nfs/dbraw/zinc/84/19/61/562841961.db2.gz ZVSHOKHGHLZZBD-MHZLTWQESA-N 1 0 524.149 5.944 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148918111 562841977 /nfs/dbraw/zinc/84/19/77/562841977.db2.gz ZVSHOKHGHLZZBD-HHHXNRCGSA-N 1 0 524.149 5.944 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148903944 562841981 /nfs/dbraw/zinc/84/19/81/562841981.db2.gz IQTYJAHMASNGFY-SANMLTNESA-N 1 0 510.122 5.554 1 0 KKAFRO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000149224657 562842515 /nfs/dbraw/zinc/84/25/15/562842515.db2.gz UETYAVAIGWIDEO-NRFANRHFSA-N 1 0 555.063 5.938 1 0 KKAFRO CCOC(=O)O[C@H](C)OC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000150575735 562845297 /nfs/dbraw/zinc/84/52/97/562845297.db2.gz MAOJZHGDKWSCPV-YRHAACNHSA-N 1 0 855.853 8.300 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586630 562845864 /nfs/dbraw/zinc/84/58/64/562845864.db2.gz MXBBIXMSZWRKRS-DYKQPOOOSA-N 1 0 810.768 7.560 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586643 562845872 /nfs/dbraw/zinc/84/58/72/562845872.db2.gz OBYMCAPFENXWIY-WNOXWKSXSA-N 1 0 810.768 7.560 1 0 KKAFRO CS(=O)(=O)Nc1ccc(-c2nsc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)n2)cc1 ZINC000150599813 562847050 /nfs/dbraw/zinc/84/70/50/562847050.db2.gz LJNBVCGYZCGUJY-UHFFFAOYSA-N 1 0 656.781 5.243 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000150601833 562847267 /nfs/dbraw/zinc/84/72/67/562847267.db2.gz GSIPROWHYYPSSO-KAODMTDESA-N 1 0 703.862 6.880 1 0 KKAFRO Cc1ccc(C[NH+](C2CCCCC2)C2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150604864 562847688 /nfs/dbraw/zinc/84/76/88/562847688.db2.gz QYYCLPLMIQIDLG-UHFFFAOYSA-N 1 0 671.808 10.122 1 0 KKAFRO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150605784 562847779 /nfs/dbraw/zinc/84/77/79/562847779.db2.gz BHYALYJDNXUPPX-UHFFFAOYSA-N 1 0 652.721 7.977 1 0 KKAFRO C[NH+]1CCN(c2cccc(F)c2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606281 562847861 /nfs/dbraw/zinc/84/78/61/562847861.db2.gz HRPFCELYJVARIK-BFGHFXMOSA-N 1 0 664.892 5.428 1 0 KKAFRO C[NH+]1CCN(c2ccc(F)cc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606264 562847898 /nfs/dbraw/zinc/84/78/98/562847898.db2.gz URWOBHXKJKTXDM-QIKUIUABSA-N 1 0 664.892 5.428 1 0 KKAFRO CCCC[NH+]1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606215 562847900 /nfs/dbraw/zinc/84/79/00/562847900.db2.gz WOBWACBYJMRKDB-YYFXGUOYSA-N 1 0 674.956 6.416 1 0 KKAFRO CC(C)[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606295 562847907 /nfs/dbraw/zinc/84/79/07/562847907.db2.gz AVNPYHOCFYSARF-KUFVUHJUSA-N 1 0 692.946 6.206 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150613621 562848749 /nfs/dbraw/zinc/84/87/49/562848749.db2.gz OWUNWYFBVXAWFX-UPMUHZMGSA-N 1 0 639.789 7.179 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616939 562848818 /nfs/dbraw/zinc/84/88/18/562848818.db2.gz QWLVQDXAULJUAE-UMHBLLGCSA-N 1 0 708.003 5.437 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000164723564 562849669 /nfs/dbraw/zinc/84/96/69/562849669.db2.gz MAACKGCFQFNWKO-PIGLOVQCSA-N 1 0 717.962 5.722 1 0 KKAFRO C[NH+](C)C[C@@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@H](O)c1ccccc1 ZINC000164752796 562849722 /nfs/dbraw/zinc/84/97/22/562849722.db2.gz FAPXOLFYGWNEHZ-ADLMAVQZSA-N 1 0 640.012 5.936 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000165265208 562850034 /nfs/dbraw/zinc/85/00/34/562850034.db2.gz TZRZFMLMIVDMCQ-UHFFFAOYSA-N 1 0 643.665 5.976 1 0 KKAFRO CCc1cnn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)nc12 ZINC000166990161 562850576 /nfs/dbraw/zinc/85/05/76/562850576.db2.gz XNCUFLXRSAOSJW-UHFFFAOYSA-N 1 0 526.648 5.714 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167102230 562850680 /nfs/dbraw/zinc/85/06/80/562850680.db2.gz ZIPFRMHEGAPZQI-UHFFFAOYSA-N 1 0 549.589 5.133 1 0 KKAFRO Cc1cccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nc6ncc(Br)n6cc5-c5ccc(F)cc5)cc4)CC3)[nH]2)n1 ZINC000167232249 562850697 /nfs/dbraw/zinc/85/06/97/562850697.db2.gz XXMDMGCWKMTCOF-UHFFFAOYSA-N 1 0 623.534 6.833 1 0 KKAFRO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)nc12 ZINC000167899761 562851122 /nfs/dbraw/zinc/85/11/22/562851122.db2.gz PPGINRHLMQBZPR-UHFFFAOYSA-N 1 0 592.610 5.216 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 ZINC000167964551 562851153 /nfs/dbraw/zinc/85/11/53/562851153.db2.gz OBGIUBNIGRGTBL-DZMKGHSNSA-N 1 0 524.709 5.078 1 0 KKAFRO O=C(N[C@H]1CC[C@H](NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3C[N@@H+]3CCCOCC3)c2)CC1)c1cn2cc(F)ccc2n1 ZINC000167987511 562851204 /nfs/dbraw/zinc/85/12/04/562851204.db2.gz ZNOLBJWRZRPJPY-ISILISOKSA-N 1 0 696.755 5.866 1 0 KKAFRO CC(C)c1nc2nc(-c3ccc(C[NH+]4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000168002245 562851233 /nfs/dbraw/zinc/85/12/33/562851233.db2.gz SSPBSQYMLNFOKH-UHFFFAOYSA-N 1 0 539.687 6.905 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000169290850 562851827 /nfs/dbraw/zinc/85/18/27/562851827.db2.gz HMYAEJVTRKONJY-FYYLOGMGSA-N 1 0 512.663 5.622 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCCCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302339 562853066 /nfs/dbraw/zinc/85/30/66/562853066.db2.gz IKYLACVAYTVFFR-GEYONVIFSA-N 1 0 708.384 8.397 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169303057 562853154 /nfs/dbraw/zinc/85/31/54/562853154.db2.gz XLKLAZAHFQQTJT-VWLOTQADSA-N 1 0 527.974 6.509 3 0 KKAFRO CC[NH+](CC)CCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306765 562853625 /nfs/dbraw/zinc/85/36/25/562853625.db2.gz ORUZOFOOTOBCLZ-UHFFFAOYSA-N 1 0 547.681 5.043 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312236 562855326 /nfs/dbraw/zinc/85/53/26/562855326.db2.gz NUZXKZLGVSJZQL-DGPALRBDSA-N 1 0 514.691 6.854 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC000169312776 562855430 /nfs/dbraw/zinc/85/54/30/562855430.db2.gz CETBFQGUUIEPKO-UHFFFAOYSA-N 1 0 592.136 8.329 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n(CCCC)n1 ZINC000169312780 562855431 /nfs/dbraw/zinc/85/54/31/562855431.db2.gz BVFXUNCGHDWVPP-UHFFFAOYSA-N 1 0 647.260 9.338 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)nn1C ZINC000169312790 562855440 /nfs/dbraw/zinc/85/54/40/562855440.db2.gz GLXBJLULUANBCU-UHFFFAOYSA-N 1 0 626.842 8.719 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317499 562855959 /nfs/dbraw/zinc/85/59/59/562855959.db2.gz AJUAJKZVPJDBSA-RDGATRHJSA-N 1 0 538.404 6.350 1 0 KKAFRO CCNc1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317820 562856035 /nfs/dbraw/zinc/85/60/35/562856035.db2.gz IWYTUWMBDRWLJL-SHQCIBLASA-N 1 0 502.577 6.019 1 0 KKAFRO CC(C)(C)c1cc(/C=C/c2ccccc2)cc(C(C)(C)C)c1OC[C@H](O)C[NH2+]CCNC(=O)Nc1ccccc1 ZINC000169318815 562856114 /nfs/dbraw/zinc/85/61/14/562856114.db2.gz QZGJVUOMYSCIKX-GHUONELISA-N 1 0 543.752 6.603 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321596 562856682 /nfs/dbraw/zinc/85/66/82/562856682.db2.gz GLRLKJSXKDKVCK-UHFFFAOYSA-N 1 0 546.646 6.734 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324405 562857305 /nfs/dbraw/zinc/85/73/05/562857305.db2.gz VYWFOHVIUYHPNN-UHFFFAOYSA-N 1 0 563.746 6.602 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324447 562857338 /nfs/dbraw/zinc/85/73/38/562857338.db2.gz LPEGXXJNGPFEMT-UHFFFAOYSA-N 1 0 661.935 9.333 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324414 562857378 /nfs/dbraw/zinc/85/73/78/562857378.db2.gz SCHQCMNAPKJPQW-UHFFFAOYSA-N 1 0 563.746 6.602 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325214 562857573 /nfs/dbraw/zinc/85/75/73/562857573.db2.gz ABPFXCIYLKVLDK-UHFFFAOYSA-N 1 0 604.883 10.217 1 0 KKAFRO COc1nc2sc(C(=O)NCCCCCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)c(N)c2c(C)c1Cl ZINC000169332685 562859191 /nfs/dbraw/zinc/85/91/91/562859191.db2.gz VDABMKZNXMFUQE-UHFFFAOYSA-N 1 0 549.568 6.672 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21 ZINC000169333858 562859328 /nfs/dbraw/zinc/85/93/28/562859328.db2.gz ZQRRXEQQZQGPCD-LJAQVGFWSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334284 562859450 /nfs/dbraw/zinc/85/94/50/562859450.db2.gz NEZXOJFFVXIHRV-DEOSSOPVSA-N 1 0 574.993 8.092 1 0 KKAFRO COc1ccc([C@H]2[C@H]3c4c(=O)[nH]c5ccccc5c4OC(C)(C)[C@H]3[C@@H]2C2CC2)cc1OCCCN1CCOCC1 ZINC000169334522 562859524 /nfs/dbraw/zinc/85/95/24/562859524.db2.gz CXGYFAOORWENRE-LWFIHPCQSA-N 1 0 544.692 5.332 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335700 562859670 /nfs/dbraw/zinc/85/96/70/562859670.db2.gz ONFGPGPSNCMVNE-HHHXNRCGSA-N 1 0 549.475 8.133 1 0 KKAFRO CCCC(CCC)[NH2+]C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335321 562859630 /nfs/dbraw/zinc/85/96/30/562859630.db2.gz VTTDAYMUVZQRAT-SANMLTNESA-N 1 0 524.549 8.045 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335771 562859705 /nfs/dbraw/zinc/85/97/05/562859705.db2.gz TWOXPTJBUITKMA-HHHXNRCGSA-N 1 0 505.917 8.311 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335795 562859731 /nfs/dbraw/zinc/85/97/31/562859731.db2.gz AISOTQRIJVUQIZ-NDEPHWFRSA-N 1 0 501.498 7.667 1 0 KKAFRO Nc1ccc2c3c1cccc3C(=O)N(CCCCCCOc1cccc3c1CCC[C@@H]3CCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000169336997 562859886 /nfs/dbraw/zinc/85/98/86/562859886.db2.gz FXSQHPHHAIFUIN-SSEXGKCCSA-N 1 0 650.908 7.808 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Oc2ccc(Cl)c(Cl)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169337016 562859927 /nfs/dbraw/zinc/85/99/27/562859927.db2.gz GIQCVCCHAGZKSD-AREMUKBSSA-N 1 0 529.335 9.181 1 0 KKAFRO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000169341143 562860692 /nfs/dbraw/zinc/86/06/92/562860692.db2.gz MDGYCIINQNAPKG-UHFFFAOYSA-N 1 0 616.770 6.020 1 0 KKAFRO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)N3CCN(CCO)CC3)cc2)n1 ZINC000169341142 562860716 /nfs/dbraw/zinc/86/07/16/562860716.db2.gz OXUOCONQLHMIAW-UHFFFAOYSA-N 1 0 646.796 5.382 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000169346172 562861718 /nfs/dbraw/zinc/86/17/18/562861718.db2.gz LSUVYRMXTLOLRF-RYAYXYHYSA-N 1 0 559.905 7.339 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350726 562862914 /nfs/dbraw/zinc/86/29/14/562862914.db2.gz FQXLTRHUHXXAPR-UHFFFAOYSA-N 1 0 735.735 7.681 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350708 562862921 /nfs/dbraw/zinc/86/29/21/562862921.db2.gz AZBIXVOPJHAERT-UHFFFAOYSA-N 1 0 637.712 6.536 1 0 KKAFRO CS(=O)(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)cc(N)[nH+]2)c1 ZINC000169350861 562862945 /nfs/dbraw/zinc/86/29/45/562862945.db2.gz CLJJNYIYZIHXHN-UHFFFAOYSA-N 1 0 607.639 5.380 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H]([C@H]3CCC[NH2+]C3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353007 562863322 /nfs/dbraw/zinc/86/33/22/562863322.db2.gz XFKBTTLKRPNYMX-YAYIQTBWSA-N 1 0 603.770 8.388 1 0 KKAFRO O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1 ZINC000169353026 562863325 /nfs/dbraw/zinc/86/33/25/562863325.db2.gz MIMZFWLVKRMQDU-PGUFJCEWSA-N 1 0 644.845 7.163 1 0 KKAFRO O=C(OC[C@@H]([C@@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353285 562863421 /nfs/dbraw/zinc/86/34/21/562863421.db2.gz ZDIFOSOAJVECSC-PJTQZDKOSA-N 1 0 624.789 6.712 1 0 KKAFRO O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1C1CC1)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1 ZINC000169353294 562863448 /nfs/dbraw/zinc/86/34/48/562863448.db2.gz YKMHGUCILDTIEK-JGCGQSQUSA-N 1 0 608.812 6.374 1 0 KKAFRO C[C@@H](C(=O)Nc1nc([C@@H](CC[N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000169355568 562863742 /nfs/dbraw/zinc/86/37/42/562863742.db2.gz JWKLHPJIQARGDH-ZDTSNOQFSA-N 1 0 740.814 9.020 1 0 KKAFRO Cc1c(C(=O)NC2CC[NH+](C)CC2)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(F)(F)F)c12 ZINC000169686728 562865108 /nfs/dbraw/zinc/86/51/08/562865108.db2.gz DFYLZQYTPNEEKS-ZDUSSCGKSA-N 1 0 525.572 5.426 1 0 KKAFRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700220 562867589 /nfs/dbraw/zinc/86/75/89/562867589.db2.gz KVGPVCYSGPUFTJ-JDFHOKRYSA-N 1 0 598.578 5.583 1 0 KKAFRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700222 562867612 /nfs/dbraw/zinc/86/76/12/562867612.db2.gz KVGPVCYSGPUFTJ-NTWACIBNSA-N 1 0 598.578 5.583 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701409 562868072 /nfs/dbraw/zinc/86/80/72/562868072.db2.gz ZGYJDQYOIFAXED-DJJHDAFRSA-N 1 0 580.503 5.442 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702253 562868263 /nfs/dbraw/zinc/86/82/63/562868263.db2.gz VAIAUKCZKJPKFB-GOSISDBHSA-N 1 0 572.113 5.433 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702405 562868350 /nfs/dbraw/zinc/86/83/50/562868350.db2.gz INMPZYGTGINAOP-FQEVSTJZSA-N 1 0 614.194 6.602 1 0 KKAFRO CCc1cn(-c2ccc(C(N)=O)c(N[C@H]3CCCC[C@H]3[NH3+])c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703487 562868823 /nfs/dbraw/zinc/86/88/23/562868823.db2.gz CYCWYBGIVJMKOW-VPUSJEBWSA-N 1 0 504.638 5.584 1 0 KKAFRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703684 562868873 /nfs/dbraw/zinc/86/88/73/562868873.db2.gz GYLDXHXMWUNLIQ-VWLOTQADSA-N 1 0 523.056 5.045 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704496 562869004 /nfs/dbraw/zinc/86/90/04/562869004.db2.gz NQFPBDXHJVEPEB-HHHXNRCGSA-N 1 0 651.604 6.900 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccccc1 ZINC000169704520 562869019 /nfs/dbraw/zinc/86/90/19/562869019.db2.gz YESOLRROWNDBEF-AREMUKBSSA-N 1 0 523.555 5.864 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@H]1c1cccc(F)c1 ZINC000169704526 562869031 /nfs/dbraw/zinc/86/90/31/562869031.db2.gz PYBPUCMFOMXANP-VWLOTQADSA-N 1 0 511.519 5.994 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000169704533 562869034 /nfs/dbraw/zinc/86/90/34/562869034.db2.gz KHYBZGUVPMZISW-AREMUKBSSA-N 1 0 541.545 6.003 3 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705470 562869391 /nfs/dbraw/zinc/86/93/91/562869391.db2.gz HKZYTKQFISYGFA-NRFANRHFSA-N 1 0 517.952 5.605 1 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705473 562869395 /nfs/dbraw/zinc/86/93/95/562869395.db2.gz RYJXGHVVHUWSCN-HSZRJFAPSA-N 1 0 546.006 6.089 1 0 KKAFRO COc1cc(C[NH3+])ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705484 562869403 /nfs/dbraw/zinc/86/94/03/562869403.db2.gz MSRGKAGCQFVQIT-SANMLTNESA-N 1 0 535.475 6.963 1 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705474 562869404 /nfs/dbraw/zinc/86/94/04/562869404.db2.gz RYJXGHVVHUWSCN-QHCPKHFHSA-N 1 0 546.006 6.089 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@@H]3C)n1 ZINC000169707550 562870037 /nfs/dbraw/zinc/87/00/37/562870037.db2.gz MRDPHEVYJFFGER-MRXNPFEDSA-N 1 0 634.606 5.489 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000169711514 562870968 /nfs/dbraw/zinc/87/09/68/562870968.db2.gz FSIWIUFJWIDTGP-UHFFFAOYSA-N 1 0 557.651 5.151 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C[C@@H](C)O)CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711508 562870987 /nfs/dbraw/zinc/87/09/87/562870987.db2.gz KSTOWOWMZKFZMS-JOCHJYFZSA-N 1 0 585.705 5.616 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C[C@H](C)O)CC3)cc2)c1 ZINC000169711553 562871039 /nfs/dbraw/zinc/87/10/39/562871039.db2.gz NKBVMJLNCYTGJZ-NRFANRHFSA-N 1 0 571.678 5.227 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[NH+]3CCC(F)CC3)cc2)c1 ZINC000169711601 562871060 /nfs/dbraw/zinc/87/10/60/562871060.db2.gz KAILGINXZFOZAC-UHFFFAOYSA-N 1 0 589.668 5.618 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3C[NH+](C(C)C)C3)cc2)c1 ZINC000169711590 562871104 /nfs/dbraw/zinc/87/11/04/562871104.db2.gz GRMVQHHLVHSDLK-UHFFFAOYSA-N 1 0 571.678 5.491 1 0 KKAFRO C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169741568 562871423 /nfs/dbraw/zinc/87/14/23/562871423.db2.gz LDVRAJSZIPKJHL-KFACBJOOSA-N 1 0 582.629 7.285 1 0 KKAFRO O=NC=C1C=CN(CCOCCOCCOCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)C=C1 ZINC000198272224 562872673 /nfs/dbraw/zinc/87/26/73/562872673.db2.gz IMPXTFJKUCHUSO-UHFFFAOYSA-N 1 0 547.696 5.300 1 0 KKAFRO CC[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199802497 562873095 /nfs/dbraw/zinc/87/30/95/562873095.db2.gz CTHQUTHHHNLCMC-AVRDEDQJSA-N 1 0 528.607 5.078 1 0 KKAFRO CCC[NH2+][C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)NC(=O)c4ccc(OC)c(Cl)c4)c3)sc2C1 ZINC000199982165 562873193 /nfs/dbraw/zinc/87/31/93/562873193.db2.gz JMLMFOQFVNVALG-UZLBHIALSA-N 1 0 527.090 5.405 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000203981706 562874191 /nfs/dbraw/zinc/87/41/91/562874191.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 1 0 550.099 6.306 1 0 KKAFRO CN(C)c1cc[n+](Cc2ccc(CCc3ccc(Cn4cnc5c4ncnc5SCc4ccccc4)cc3)cc2)cc1 ZINC000205024904 562874733 /nfs/dbraw/zinc/87/47/33/562874733.db2.gz LEKQURQWJNSQKW-UHFFFAOYSA-N 1 0 571.774 6.354 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)CCN(c3cc(NC(=O)c5cc(F)cc(C(F)(F)F)c5)ccc3Cl)C4=O)cc2)CC1 ZINC000205372674 562875280 /nfs/dbraw/zinc/87/52/80/562875280.db2.gz BMUZSPWSFKIRFG-UHFFFAOYSA-N 1 0 654.068 6.239 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6cccc(C)n6)[nH]5)CC4)cc3)c(-c3cccc(F)c3)cn2n1 ZINC000205498091 562875494 /nfs/dbraw/zinc/87/54/94/562875494.db2.gz GCJCQSSPFSLDDY-UHFFFAOYSA-N 1 0 559.653 5.774 1 0 KKAFRO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCC([NH+](C)C)CC3)nc2)cc(N(CC)C2CCOCC2)c1C ZINC000205714768 562875807 /nfs/dbraw/zinc/87/58/07/562875807.db2.gz BLNOPNCRRSAGEB-UHFFFAOYSA-N 1 0 628.862 5.472 1 0 KKAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)nc3)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1 ZINC000205722040 562875845 /nfs/dbraw/zinc/87/58/45/562875845.db2.gz IPDNSMZSSSLILE-UHFFFAOYSA-N 1 0 515.702 5.123 1 0 KKAFRO COc1ccc(C[NH3+])cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091667 562876216 /nfs/dbraw/zinc/87/62/16/562876216.db2.gz DLKYKILDEXFUBY-MHZLTWQESA-N 1 0 566.489 5.527 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(N4CC[NH2+]CC4)cc3)ncc2C1=O ZINC000206203558 562876413 /nfs/dbraw/zinc/87/64/13/562876413.db2.gz OULJVONSBCUARX-UHFFFAOYSA-N 1 0 601.633 5.412 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)CCN(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3Cl)C4)cc2)CC1 ZINC000206259680 562876425 /nfs/dbraw/zinc/87/64/25/562876425.db2.gz OYEXZDHGVURKPH-UHFFFAOYSA-N 1 0 622.095 6.459 1 0 KKAFRO CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000206407562 562876434 /nfs/dbraw/zinc/87/64/34/562876434.db2.gz FSXWOYZHDRWNTD-LJQANCHMSA-N 1 0 540.595 5.806 1 0 KKAFRO CO[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H]1C ZINC000207149158 562876639 /nfs/dbraw/zinc/87/66/39/562876639.db2.gz ZCTSKEOHMXXIST-HQXPOKEDSA-N 1 0 572.603 5.644 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000207315860 562876699 /nfs/dbraw/zinc/87/66/99/562876699.db2.gz OOVTWDNYKGHGHW-UHFFFAOYSA-N 1 0 643.714 6.186 1 0 KKAFRO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000210243244 562876981 /nfs/dbraw/zinc/87/69/81/562876981.db2.gz LRHWVHHPVYFCIX-MHZLTWQESA-N 1 0 592.666 6.093 1 0 KKAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219202631 562877993 /nfs/dbraw/zinc/87/79/93/562877993.db2.gz NHYWUCOSILIYIJ-MFMCTBQISA-N 1 0 654.755 5.027 1 0 KKAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219217761 562877997 /nfs/dbraw/zinc/87/79/97/562877997.db2.gz NRFXMHZRXOAGNB-LHHUKBANSA-N 1 0 698.808 5.214 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219859723 562878293 /nfs/dbraw/zinc/87/82/93/562878293.db2.gz RPNAFEOUPITPAI-UHFFFAOYSA-N 1 0 530.028 5.410 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1 ZINC000220414031 562878486 /nfs/dbraw/zinc/87/84/86/562878486.db2.gz QWXGUPIKXSSSSN-RPLLCQBOSA-N 1 0 540.689 5.650 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4cc(Cl)ccc4[nH+]c4c3CCCC4)cc12 ZINC000221458176 562879003 /nfs/dbraw/zinc/87/90/03/562879003.db2.gz XVXDTYXMYWAMAF-UHFFFAOYSA-N 1 0 632.249 8.248 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1F ZINC000222115304 562879625 /nfs/dbraw/zinc/87/96/25/562879625.db2.gz UZISGDYRMAXEPZ-UHFFFAOYSA-N 1 0 668.623 7.030 1 0 KKAFRO CC(C)(C)c1sc2c(nc(-c3ccncc3)nc2NC[C@@H]([NH3+])Cc2ccccc2)c1-c1cccc(N)c1 ZINC000223677424 562880155 /nfs/dbraw/zinc/88/01/55/562880155.db2.gz DDPUQQFPJLJBRO-QHCPKHFHSA-N 1 0 508.695 6.282 1 0 KKAFRO Cc1sc2c(nc(-c3ccncc3)nc2NC[C@@H]([NH3+])Cc2ccccc2)c1-c1cc(F)ccc1OC(C)C ZINC000223677343 562880169 /nfs/dbraw/zinc/88/01/69/562880169.db2.gz VSIKMNXYNLTFAN-QHCPKHFHSA-N 1 0 527.669 6.637 1 0 KKAFRO Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CC[NH+](C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073318 562880264 /nfs/dbraw/zinc/88/02/64/562880264.db2.gz BIIFEKIGTUMZNZ-SANMLTNESA-N 1 0 515.460 6.777 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@@H](O)C[NH+]1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101102 562880372 /nfs/dbraw/zinc/88/03/72/562880372.db2.gz ILSKQZCULNKRSM-GZGVDWRWSA-N 1 0 637.583 7.201 1 0 KKAFRO CC(C)(C)c1ccc(CC2([N@@H+]3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)CC2)cc1 ZINC000224830347 562880545 /nfs/dbraw/zinc/88/05/45/562880545.db2.gz ABLJJGMUTNKNPJ-UHFFFAOYSA-N 1 0 602.860 8.570 1 0 KKAFRO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000253632384 562881959 /nfs/dbraw/zinc/88/19/59/562881959.db2.gz BEOPGQZLRRYYIV-HKUDGXTOSA-N 1 0 501.711 5.925 1 0 KKAFRO C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253675731 562882743 /nfs/dbraw/zinc/88/27/43/562882743.db2.gz JZEQFVDLSUHIOP-MPGAWZFDSA-N 1 0 608.667 7.555 1 0 KKAFRO O=C(CN(CC(=O)N1CCc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000299825876 562883703 /nfs/dbraw/zinc/88/37/03/562883703.db2.gz CPRLQCFXIZYENZ-UHFFFAOYSA-N 1 0 581.544 5.389 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/C[NH+]1CCCCC1 ZINC000299828137 562884321 /nfs/dbraw/zinc/88/43/21/562884321.db2.gz GYFJBUOSPWKVQK-GATIEOLUSA-N 1 0 591.087 7.199 1 0 KKAFRO COc1cc2cc(C(=O)NCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c(=O)oc2cc1OC ZINC000299828237 562884409 /nfs/dbraw/zinc/88/44/09/562884409.db2.gz HRGZWMLUBWDBQP-UHFFFAOYSA-N 1 0 543.664 6.030 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299828499 562884524 /nfs/dbraw/zinc/88/45/24/562884524.db2.gz IQJGGEOOQOYBOA-UHFFFAOYSA-N 1 0 577.969 8.106 1 0 KKAFRO C[NH+]1CCN(CCCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 ZINC000299828749 562884589 /nfs/dbraw/zinc/88/45/89/562884589.db2.gz HEHOAGIEPHGJOX-UHFFFAOYSA-N 1 0 516.730 5.486 1 0 KKAFRO CC[NH+](CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299829786 562884997 /nfs/dbraw/zinc/88/49/97/562884997.db2.gz LFFJZKCLQBHMGY-UHFFFAOYSA-N 1 0 563.942 7.716 1 0 KKAFRO C/C=C/c1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N[C@@H]2CC[NH2+]C2)ccc1C ZINC000299831292 562885536 /nfs/dbraw/zinc/88/55/36/562885536.db2.gz JBGPTABXBVOSBM-UBUADSEMSA-N 1 0 535.610 5.533 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2ccsc21 ZINC000299832646 562885888 /nfs/dbraw/zinc/88/58/88/562885888.db2.gz QIYOYEQRKHQDIJ-UHFFFAOYSA-N 1 0 509.079 6.800 1 0 KKAFRO O=C(NCC1CC[NH+](Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000299832993 562886081 /nfs/dbraw/zinc/88/60/81/562886081.db2.gz XUPHTNWKWIXJKN-UHFFFAOYSA-N 1 0 564.752 5.140 1 0 KKAFRO Cc1nc(C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299836692 562887305 /nfs/dbraw/zinc/88/73/05/562887305.db2.gz OOCKQJHRJFDPCK-UHFFFAOYSA-N 1 0 505.666 6.854 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000299837915 562887692 /nfs/dbraw/zinc/88/76/92/562887692.db2.gz SPJCDWMOZIAYNB-HKBQPEDESA-N 1 0 583.777 6.819 1 0 KKAFRO CN1CC[NH+](CCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 ZINC000299839137 562888080 /nfs/dbraw/zinc/88/80/80/562888080.db2.gz RTOXQOJKMVSSIP-UHFFFAOYSA-N 1 0 502.703 5.096 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299839247 562888135 /nfs/dbraw/zinc/88/81/35/562888135.db2.gz XHQYABUNYJJQNG-UHFFFAOYSA-N 1 0 692.714 7.836 1 0 KKAFRO Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299840595 562888563 /nfs/dbraw/zinc/88/85/63/562888563.db2.gz VMXTWHCDROGRNY-HZCBDIJESA-N 1 0 615.159 6.929 1 0 KKAFRO COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299840709 562888633 /nfs/dbraw/zinc/88/86/33/562888633.db2.gz YXTDAIMAMYMKCT-UHFFFAOYSA-N 1 0 693.707 6.366 1 0 KKAFRO O=S(=O)(NC[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc3[C@H]2Cc2cccnc2)CC1)c1ccccc1 ZINC000299847481 562889950 /nfs/dbraw/zinc/88/99/50/562889950.db2.gz QVZPBSHMFRXZBI-IIJZBOQJSA-N 1 0 521.702 5.236 1 0 KKAFRO CCCCc1oc2cc(O)ccc2c1C(=O)c1cc(I)c(OCC[NH+](CC)CC)c(I)c1 ZINC000299854132 562891273 /nfs/dbraw/zinc/89/12/73/562891273.db2.gz USKDQTOYCBMKTR-UHFFFAOYSA-N 1 0 661.318 6.642 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3cc(C(F)(F)F)ccc32)C1 ZINC000299854889 562891524 /nfs/dbraw/zinc/89/15/24/562891524.db2.gz AONRERQBBIHFMX-NIYJGHKDSA-N 1 0 538.576 7.081 1 0 KKAFRO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299855888 562891818 /nfs/dbraw/zinc/89/18/18/562891818.db2.gz HANLZSRTUUMFHK-UHFFFAOYSA-N 1 0 543.042 5.972 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CC[NH2+]C34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299858684 562892517 /nfs/dbraw/zinc/89/25/17/562892517.db2.gz GPXUFDVZBJFYSM-ZCNQTVIISA-N 1 0 649.744 6.378 1 0 KKAFRO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cc2)n1 ZINC000299859258 562892636 /nfs/dbraw/zinc/89/26/36/562892636.db2.gz FQQRLPIWZUZZDQ-RUZDIDTESA-N 1 0 582.774 5.832 1 0 KKAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859469 562892708 /nfs/dbraw/zinc/89/27/08/562892708.db2.gz XTAWWFMNDKGXAZ-QFIPXVFZSA-N 1 0 512.044 6.170 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000299863743 562893929 /nfs/dbraw/zinc/89/39/29/562893929.db2.gz PUUFKSMTLDKTHL-NIYJGHKDSA-N 1 0 505.024 6.716 1 0 KKAFRO Cc1ccccc1-c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299863941 562894014 /nfs/dbraw/zinc/89/40/14/562894014.db2.gz QLINSIXBACKFKC-HINUPRAASA-N 1 0 560.704 8.038 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299864374 562894105 /nfs/dbraw/zinc/89/41/05/562894105.db2.gz MIKYLDUBUPGRFI-UHFFFAOYSA-N 1 0 587.765 5.483 1 0 KKAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000299865626 562894466 /nfs/dbraw/zinc/89/44/66/562894466.db2.gz NZMYEIYLBPEZBC-XIFFEERXSA-N 1 0 558.811 5.849 1 0 KKAFRO COc1cc2c(cc1Br)[C@@H](C)C[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865957 562894561 /nfs/dbraw/zinc/89/45/61/562894561.db2.gz UXFGCCXECAOESJ-UOBPSEMSSA-N 1 0 593.528 7.394 1 0 KKAFRO COc1cc2oc(-c3cccc(OCC(=O)NCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299867056 562894762 /nfs/dbraw/zinc/89/47/62/562894762.db2.gz PTARNCBWLXCSJW-UHFFFAOYSA-N 1 0 686.205 7.344 1 0 KKAFRO O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=[NH+]CCN4)c3)cc2)cc1 ZINC000299868523 562895155 /nfs/dbraw/zinc/89/51/55/562895155.db2.gz RQHNMGNRMYIOSW-UHFFFAOYSA-N 1 0 552.634 7.000 1 0 KKAFRO CCC[N@H+](CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2 ZINC000299870347 562895482 /nfs/dbraw/zinc/89/54/82/562895482.db2.gz WCZVRYOCPPENFW-UHFFFAOYSA-N 1 0 572.835 6.368 1 0 KKAFRO N=c1n(CCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1 ZINC000377444186 562895884 /nfs/dbraw/zinc/89/58/84/562895884.db2.gz FDHLYMQIZAQMTN-UHFFFAOYSA-N 1 0 536.720 7.168 1 0 KKAFRO O=C(c1c[nH]c2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc12)c1ccc(COc2ccccc2)cc1Cl ZINC000473087619 562897192 /nfs/dbraw/zinc/89/71/92/562897192.db2.gz KYIWCGBICYODPB-UHFFFAOYSA-N 1 0 512.013 5.814 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCC[NH+]2CCN(C)CC2)COC1=O ZINC000473088007 562897275 /nfs/dbraw/zinc/89/72/75/562897275.db2.gz NERAJBVOCIYHON-NPQFCROMSA-N 1 0 750.886 5.661 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094817 562897797 /nfs/dbraw/zinc/89/77/97/562897797.db2.gz WHVXVHKHGIXKRO-SSEXGKCCSA-N 1 0 587.761 5.696 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(Cc3ccc(-c4ccccc4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473100625 562898043 /nfs/dbraw/zinc/89/80/43/562898043.db2.gz IRPIJFJBBUPIIT-IFEIANSXSA-N 1 0 525.733 7.063 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@H]3CC[C@H]([NH+](C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000473100632 562898069 /nfs/dbraw/zinc/89/80/69/562898069.db2.gz IXFIHZIZFSCBSU-HMWLHKMWSA-N 1 0 604.235 7.761 1 0 KKAFRO C[C@@H]1Cc2ccccc2C2(CC[NH+](CC[C@H](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 ZINC000473104245 562898133 /nfs/dbraw/zinc/89/81/33/562898133.db2.gz OVVRQDCJYWDMFV-PIKZIKFNSA-N 1 0 572.618 6.726 1 0 KKAFRO C[C@H]1Cc2ccccc2C2(CC[NH+](CC[C@@H](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 ZINC000473104247 562898135 /nfs/dbraw/zinc/89/81/35/562898135.db2.gz OVVRQDCJYWDMFV-RBTNQOKQSA-N 1 0 572.618 6.726 1 0 KKAFRO COc1cc2oc(-c3cccc(OCCCN4CC[NH+](Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112686 562898711 /nfs/dbraw/zinc/89/87/11/562898711.db2.gz GAWXAFIVBQBBPY-UHFFFAOYSA-N 1 0 544.648 5.073 1 0 KKAFRO CC[N@H+](CCCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898974 /nfs/dbraw/zinc/89/89/74/562898974.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 1 0 533.621 5.873 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@@H+](C1CCOCC1)CCC2 ZINC000473129040 562899982 /nfs/dbraw/zinc/89/99/82/562899982.db2.gz DZDHTEOJHDYEPP-UHFFFAOYSA-N 1 0 586.158 5.157 1 0 KKAFRO [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000473135880 562900875 /nfs/dbraw/zinc/90/08/75/562900875.db2.gz UZKKZRAOFDRKKX-UHFFFAOYSA-N 1 0 582.100 6.825 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc1)CC2 ZINC000473136635 562901069 /nfs/dbraw/zinc/90/10/69/562901069.db2.gz TWNDUKAXRORGCW-UHFFFAOYSA-N 1 0 711.862 6.141 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152451 562901831 /nfs/dbraw/zinc/90/18/31/562901831.db2.gz UHRMTCOEBUUBLY-MGBGTMOVSA-N 1 0 545.724 5.657 1 0 KKAFRO CC(=O)c1c[nH+]c2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473183025 562903522 /nfs/dbraw/zinc/90/35/22/562903522.db2.gz KHCOMASJXJWELU-UAPYVXQJSA-N 1 0 500.470 6.379 1 0 KKAFRO COc1cc(-c2cc3c(cc2F)ncc(C(C)=O)c3N[C@H]2CC[C@H](C[NH+]3CCCC3)CC2)cc(Cl)c1O ZINC000473198588 562903753 /nfs/dbraw/zinc/90/37/53/562903753.db2.gz QEKHQLLMSQMPBH-KESTWPANSA-N 1 0 526.052 6.100 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H]([NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473200915 562903827 /nfs/dbraw/zinc/90/38/27/562903827.db2.gz KVYXBFBBJZWCIX-HZCBDIJESA-N 1 0 520.073 6.103 1 0 KKAFRO Cc1noc(C)c1S(=O)(=O)N1CCC[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 ZINC000473215228 562903989 /nfs/dbraw/zinc/90/39/89/562903989.db2.gz BZMOGJLZFBFHTP-VVCLTAMYSA-N 1 0 605.849 7.084 1 0 KKAFRO COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(C(C)(C)[NH3+])CC5)ccc43)cc2OC)cn1 ZINC000473215371 562903992 /nfs/dbraw/zinc/90/39/92/562903992.db2.gz JVLYHJYNLHAPID-UHFFFAOYSA-N 1 0 515.658 5.030 1 0 KKAFRO C[NH+](C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220502 562904102 /nfs/dbraw/zinc/90/41/02/562904102.db2.gz HRFIDHIKBHCVPR-FRPUQLTBSA-N 1 0 793.300 6.146 1 0 KKAFRO CCN(c1cc(-c2cn(C)nc2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244548 562904890 /nfs/dbraw/zinc/90/48/90/562904890.db2.gz NJWZGGSDIVWDAI-SOAUALDESA-N 1 0 532.733 5.050 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4ccc(I)cc4)[nH]3)ccc21 ZINC000474604840 562905279 /nfs/dbraw/zinc/90/52/79/562905279.db2.gz FJZSGHHWJPMQFZ-MHZLTWQESA-N 1 0 568.434 5.998 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2C)cc1F ZINC000474609670 562905601 /nfs/dbraw/zinc/90/56/01/562905601.db2.gz SGSBKUVYAFXXPO-UHFFFAOYSA-N 1 0 688.200 7.379 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Br)cc3)c(=O)n2C)cc1F ZINC000474609719 562905629 /nfs/dbraw/zinc/90/56/29/562905629.db2.gz TWMHJVWQHVVUAR-UHFFFAOYSA-N 1 0 732.651 7.488 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000474609758 562905679 /nfs/dbraw/zinc/90/56/79/562905679.db2.gz UPYLUSZZUKVKLC-UHFFFAOYSA-N 1 0 737.751 7.624 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cs/c(=N\c5ccccc5)n4C)cc32)c1C ZINC000653667729 562906076 /nfs/dbraw/zinc/90/60/76/562906076.db2.gz IKIMKNOLXDBIBU-RPPUFWSESA-N 1 0 568.747 5.495 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCC[NH+]3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682404 562906404 /nfs/dbraw/zinc/90/64/04/562906404.db2.gz WHDSYWKMHQACKG-UHFFFAOYSA-N 1 0 603.119 5.855 1 0 KKAFRO CC[NH+](CC)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(F)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000653696894 562907060 /nfs/dbraw/zinc/90/70/60/562907060.db2.gz XOLJLBJDCXBDNU-UHFFFAOYSA-N 1 0 567.587 7.327 1 0 KKAFRO Cc1c(C(=O)NC2CCN(C(=O)C[NH+](C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000653706013 562907692 /nfs/dbraw/zinc/90/76/92/562907692.db2.gz NGJPSXGANYOABW-UHFFFAOYSA-N 1 0 548.902 5.090 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653710179 562908083 /nfs/dbraw/zinc/90/80/83/562908083.db2.gz DJLPRTJGYZFRAF-UHFFFAOYSA-N 1 0 615.578 7.961 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2OCC[C@@H]1C[NH+](C)C ZINC000653712777 562908176 /nfs/dbraw/zinc/90/81/76/562908176.db2.gz HBALBFQEHBSAIP-HFKSATISSA-N 1 0 581.938 6.639 1 0 KKAFRO CCCCCC[NH+](CCCCCC)CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000653721789 562908772 /nfs/dbraw/zinc/90/87/72/562908772.db2.gz YKSJVVHQOXOPHA-GDLZYMKVSA-N 1 0 583.695 7.952 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)[C@H]([NH3+])CC2 ZINC000653724638 562908951 /nfs/dbraw/zinc/90/89/51/562908951.db2.gz VVTGYZYHWDWRMP-HSZRJFAPSA-N 1 0 530.094 5.359 1 0 KKAFRO CC[N@H+](CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1 ZINC000653726554 562909146 /nfs/dbraw/zinc/90/91/46/562909146.db2.gz KPFCJNLUZOESQR-CCEZHUSRSA-N 1 0 530.709 6.452 1 0 KKAFRO CCOC(=O)c1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(OCCC[NH+]3CCCCC3)cc21 ZINC000653729602 562909388 /nfs/dbraw/zinc/90/93/88/562909388.db2.gz QQXBSCGGXLBJHW-UHFFFAOYSA-N 1 0 502.577 6.448 1 0 KKAFRO CC[N@H+](CCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653737777 562909897 /nfs/dbraw/zinc/90/98/97/562909897.db2.gz XZVHAKZSJNIPNI-VAWYXSNFSA-N 1 0 518.654 5.290 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653745740 562910362 /nfs/dbraw/zinc/91/03/62/562910362.db2.gz PHYASQQLYQAEBU-UHFFFAOYSA-N 1 0 722.217 7.401 1 0 KKAFRO Cc1cc(C(=O)N(Cc2ccc(C[NH+]3CCCC3)cc2)c2ccc(-c3nc(Cl)ncc3C)cc2)c(O)cc1O ZINC000653757331 562911085 /nfs/dbraw/zinc/91/10/85/562911085.db2.gz CVXQZBJOFWXPPN-UHFFFAOYSA-N 1 0 543.067 6.268 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@@H+]3CCC3(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762369 562911382 /nfs/dbraw/zinc/91/13/82/562911382.db2.gz LOHICRSBJGVWJA-UHFFFAOYSA-N 1 0 543.067 6.348 1 0 KKAFRO CCCNC(=O)C1CCN(C(=O)c2c(C[NH2+][C@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786099 562912416 /nfs/dbraw/zinc/91/24/16/562912416.db2.gz SHJNFTLAWBDTQH-HSZRJFAPSA-N 1 0 572.775 5.989 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(F)c5)c4c3)cc2)CC1 ZINC000653786120 562912442 /nfs/dbraw/zinc/91/24/42/562912442.db2.gz ZAVRYMCCFPSJMN-UHFFFAOYSA-N 1 0 503.557 5.043 1 0 KKAFRO CCn1c(C(=O)NCCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000653788997 562912532 /nfs/dbraw/zinc/91/25/32/562912532.db2.gz VMSJVXXGUPPMBZ-LJAQVGFWSA-N 1 0 527.794 6.170 1 0 KKAFRO CC1CC[NH+](CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc32)CC1 ZINC000653791398 562912668 /nfs/dbraw/zinc/91/26/68/562912668.db2.gz RTSYUWSEYYHQLC-UHFFFAOYSA-N 1 0 569.790 7.196 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653791413 562912682 /nfs/dbraw/zinc/91/26/82/562912682.db2.gz VLRNAGQGUPLUJY-RGULYWFUSA-N 1 0 577.752 6.975 1 0 KKAFRO COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sc(C[NH2+][C@H](C)c4ccccc4)cc32)cc1 ZINC000653795332 562913037 /nfs/dbraw/zinc/91/30/37/562913037.db2.gz FIWGCKWZHPCZCZ-AREMUKBSSA-N 1 0 578.782 6.569 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5C[C@@H](C)[NH2+][C@@H](C)C5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825389 562914400 /nfs/dbraw/zinc/91/44/00/562914400.db2.gz JZMMRIIMJLFYOI-XHSDSOJGSA-N 1 0 536.467 6.135 1 0 KKAFRO C[NH+](C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2F)ccn1 ZINC000653841639 562914870 /nfs/dbraw/zinc/91/48/70/562914870.db2.gz HKUQJAIQSKEPRK-UHFFFAOYSA-N 1 0 529.498 5.496 1 0 KKAFRO CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C[NH3+])cn2)CC1 ZINC000653842143 562914938 /nfs/dbraw/zinc/91/49/38/562914938.db2.gz QXJVCBGQTLZWKX-NSJVFKKDSA-N 1 0 693.689 6.265 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000653845382 562915163 /nfs/dbraw/zinc/91/51/63/562915163.db2.gz IGAPVWITXJPENZ-QNGWXLTQSA-N 1 0 610.798 6.852 1 0 KKAFRO CCCC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000653884669 562916944 /nfs/dbraw/zinc/91/69/44/562916944.db2.gz VTNSVHHPVOOYNB-AJQTZOPKSA-N 1 0 549.715 6.017 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653894880 562917316 /nfs/dbraw/zinc/91/73/16/562917316.db2.gz XNYSSRPRUJTTQT-UHFFFAOYSA-N 1 0 582.636 5.873 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1F ZINC000653905275 562917570 /nfs/dbraw/zinc/91/75/70/562917570.db2.gz WVTVYDXUHBWSSY-UHFFFAOYSA-N 1 0 675.559 7.025 1 0 KKAFRO CCCC[C@@H](OC(=O)CN1CC[NH+](CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918601 562917938 /nfs/dbraw/zinc/91/79/38/562917938.db2.gz HTBWXRHRBWKCBD-VDCQWMGKSA-N 1 0 819.080 9.261 1 0 KKAFRO NC1=[NH+][C@@H](CO)C[C@@H](C(=CC(=O)[O-])[C@H](CC[C@H](CCCCCCCCCCO)c2ccc3ccccc3c2)NC2=[NH+]CC=C2)N1 ZINC000085510178 565134279 /nfs/dbraw/zinc/13/42/79/565134279.db2.gz RNKHWZZUAMKEHA-XKOIJAHGSA-N 1 0 616.827 5.850 1 0 biogenic,in-vitro KKAFRO [NH3+]CCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@@]21/C(=C/[C@H]1C=C[C@H]2CC[C@H]4C=CC=C[C@]24C1)OC3=O ZINC000085531986 565137674 /nfs/dbraw/zinc/13/76/74/565137674.db2.gz QJBYMSJWPSZUFR-CCJPPUSBSA-N 1 0 631.857 8.412 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCCC3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532550 565137929 /nfs/dbraw/zinc/13/79/29/565137929.db2.gz FAWPFHPFLPUORN-MYWNISLOSA-N 1 0 617.871 8.001 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)[NH2+]6)c(c2-5)[C@H](O)N4)cc(OCCCO)c1O ZINC000085567450 565142217 /nfs/dbraw/zinc/14/22/17/565142217.db2.gz AUFONOURVOYWHL-ZKHLHWMUSA-N 1 0 686.802 5.375 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)[NH2+]6)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567464 565142309 /nfs/dbraw/zinc/14/23/09/565142309.db2.gz DRCYMCJSURYDEV-SUGBAUCOSA-N 1 0 642.749 5.623 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@H](C)c2cc(CO)ccc2CO)cc1O ZINC000085568395 565143514 /nfs/dbraw/zinc/14/35/14/565143514.db2.gz BMVYDMVQQGLTAP-PTYRYEHNSA-N 1 0 655.744 5.496 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)CCC(C)C ZINC000085571471 565146071 /nfs/dbraw/zinc/14/60/71/565146071.db2.gz WNRUVUGVAYEQMH-RZPIWFGCSA-N 1 0 611.823 8.002 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1cccc(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](C[C@H](O)CCc2cccc(O)c2)c2cc[nH]c2C1 ZINC000085626892 565160191 /nfs/dbraw/zinc/16/01/91/565160191.db2.gz CAPLFFJFXCOTMA-GJUSYQNLSA-N 1 0 697.832 6.583 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC3CCCCC3)c2)c1 ZINC000085632235 565165884 /nfs/dbraw/zinc/16/58/84/565165884.db2.gz PZGGPJZHPWUWGJ-RJISLUCMSA-N 1 0 655.812 6.105 1 0 biogenic,in-vitro KKAFRO [NH3+]CCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@@]21C(C(=O)CC[C@]12C=CC=C[C@H]1CCC2)OC3=O ZINC000103572964 565197403 /nfs/dbraw/zinc/19/74/03/565197403.db2.gz QLHJJRSOQOGUNT-PHXUFSHXSA-N 1 0 623.834 8.276 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3sccc3C(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823554 581100629 /nfs/dbraw/zinc/10/06/29/581100629.db2.gz YNLLLFCGVZQNDE-DBAJVUNOSA-N 1 0 530.690 6.158 1 0 KKAFRO CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596791 291932011 /nfs/dbraw/zinc/93/20/11/291932011.db2.gz RJVINNOXYZHUEO-YONWYTJDSA-N 1 0 656.905 6.772 1 0 biogenic,in-vitro KKAFRO CCCCCc1c(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OC)c2)cccc1NC(=[NH2+])NC ZINC000085596216 291935091 /nfs/dbraw/zinc/93/50/91/291935091.db2.gz PEBWZRDCIIYIHH-MHZLTWQESA-N 1 0 553.788 6.839 1 0 biogenic,in-vitro KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(/C(=C/[C@H]2CC[C@@H]4CC[C@@H]5C=CC=C[C@]54C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000085531982 291938241 /nfs/dbraw/zinc/93/82/41/291938241.db2.gz KKLOXRVPMJNBKY-XREFAFDVSA-N 1 0 565.754 7.076 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(C[NH2+]C4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571324 291945579 /nfs/dbraw/zinc/94/55/79/291945579.db2.gz PFUGRKVLYKJCHJ-BEUJVDDBSA-N 1 0 780.018 10.137 1 0 biogenic,in-vitro KKAFRO COc1cc(C(=O)N2Cc3ccc(C[NH+](C)C)n3Cc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000001488363 561676215 /nfs/dbraw/zinc/67/62/15/561676215.db2.gz JHKGSUZURKZFET-UHFFFAOYSA-N 1 0 570.693 6.686 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(-n2cnc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1 ZINC000001490567 561676240 /nfs/dbraw/zinc/67/62/40/561676240.db2.gz SJZACGUSACJVDL-UHFFFAOYSA-N 1 0 545.525 5.042 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000001493264 561676385 /nfs/dbraw/zinc/67/63/85/561676385.db2.gz QBXLXAUMNLADJH-BSSRNLCFSA-N 1 0 592.592 5.120 1 0 KKAFRO CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(I)c(CC)[nH+]1 ZINC000001534057 561676814 /nfs/dbraw/zinc/67/68/14/561676814.db2.gz RBBNFEGFUGKFNL-UHFFFAOYSA-N 1 0 510.383 5.270 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001553092 561677490 /nfs/dbraw/zinc/67/74/90/561677490.db2.gz LDVRAJSZIPKJHL-OYKBBOKPSA-N 1 0 582.629 7.285 1 0 KKAFRO C[NH+](CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001857008 561679583 /nfs/dbraw/zinc/67/95/83/561679583.db2.gz LTQAJWGSUGQUPR-UHFFFAOYSA-N 1 0 579.704 6.209 1 0 KKAFRO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000002912926 561681121 /nfs/dbraw/zinc/68/11/21/561681121.db2.gz ZIOXPAOJQOZNQG-UHFFFAOYSA-N 1 0 506.071 5.867 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000003786133 561682331 /nfs/dbraw/zinc/68/23/31/561682331.db2.gz XHNPKKNIQBKPHA-GMQQYTKMSA-N 1 0 525.577 8.068 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003780979 561682355 /nfs/dbraw/zinc/68/23/55/561682355.db2.gz NNQQINUYFDRYPI-RRPNLBNLSA-N 1 0 519.529 7.536 1 0 KKAFRO COc1cc(CC[NH2+]CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000003915040 561684663 /nfs/dbraw/zinc/68/46/63/561684663.db2.gz CDTOKNFRMSVMMU-UHFFFAOYSA-N 1 0 536.694 5.514 1 0 KKAFRO CC[C@@H](C)c1nc(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000003917947 561685319 /nfs/dbraw/zinc/68/53/19/561685319.db2.gz ILSSGVAAXSWLME-JOCHJYFZSA-N 1 0 533.676 6.098 1 0 KKAFRO O=c1cc(NCCC[NH2+]Cc2sc(Br)c(Br)c2Br)[nH]c2ccccc12 ZINC000003923739 561686191 /nfs/dbraw/zinc/68/61/91/561686191.db2.gz AGTOSXYCGRACNE-UHFFFAOYSA-N 1 0 550.114 5.469 1 0 KKAFRO CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000003929649 561687063 /nfs/dbraw/zinc/68/70/63/561687063.db2.gz IVEDLBLTDDBGQI-RUZDIDTESA-N 1 0 577.810 7.580 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 ZINC000003930933 561687508 /nfs/dbraw/zinc/68/75/08/561687508.db2.gz JMIKNHGMALLEMU-SSEXGKCCSA-N 1 0 550.530 5.687 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000003933414 561688058 /nfs/dbraw/zinc/68/80/58/561688058.db2.gz NZPBORMKRQQWNV-ONTRIGRTSA-N 1 0 536.760 6.764 1 0 KKAFRO CCN1C(=O)c2ccccc2[C@H]1[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000003938812 561688901 /nfs/dbraw/zinc/68/89/01/561688901.db2.gz JYCLPXSCZKCIMO-YEFUCVGBSA-N 1 0 569.598 7.301 1 0 KKAFRO O=C(c1ccco1)N1CC[C@](CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000003961237 561691169 /nfs/dbraw/zinc/69/11/69/561691169.db2.gz XNEIHDJRJHCBGO-PMERELPUSA-N 1 0 581.544 5.579 1 0 KKAFRO CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(C[NH2+][C@H](C)C(C)(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000003962969 561691278 /nfs/dbraw/zinc/69/12/78/561691278.db2.gz DQPJVNQWPBLBAB-HSZRJFAPSA-N 1 0 621.873 6.133 1 0 KKAFRO O=C(NCCC[N+]1=CC=N[C@H]1c1ccccc1)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965558 561691577 /nfs/dbraw/zinc/69/15/77/561691577.db2.gz VQYFGCRKLOVLMQ-AREMUKBSSA-O 1 0 517.451 5.230 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000003981614 561692540 /nfs/dbraw/zinc/69/25/40/561692540.db2.gz SBVKGMUDJCJZJQ-JQTPODDPSA-N 1 0 612.792 7.142 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000004383696 561694627 /nfs/dbraw/zinc/69/46/27/561694627.db2.gz XMCRJVIWAZBDSM-SSEXGKCCSA-N 1 0 630.717 5.150 1 0 KKAFRO CCC1=C(C(=O)OCC[NH+](C)C)[C@@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425228 561695045 /nfs/dbraw/zinc/69/50/45/561695045.db2.gz VNUCNKCATYSOBV-XMMPIXPASA-N 1 0 532.493 6.229 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)c5cc6cc(N)ccc6[nH]5)ccc4[nH]3)ccc2[nH]1 ZINC000005582492 561697167 /nfs/dbraw/zinc/69/71/67/561697167.db2.gz DERBHUXENPWNHC-UHFFFAOYSA-N 1 0 590.688 5.289 1 0 KKAFRO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000005582804 561697294 /nfs/dbraw/zinc/69/72/94/561697294.db2.gz XXRDVUOSJIQWET-UHFFFAOYSA-N 1 0 596.851 7.513 1 0 KKAFRO O=c1c(-c2ccccc2)c(SCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000005582808 561697299 /nfs/dbraw/zinc/69/72/99/561697299.db2.gz COAUCWCVXCNCHR-UHFFFAOYSA-N 1 0 625.263 7.982 1 0 KKAFRO O=C(CCC[NH+]1CCC(Nc2ccc(F)cc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000005941751 561700522 /nfs/dbraw/zinc/70/05/22/561700522.db2.gz UQRJPUOCSXNBHR-UHFFFAOYSA-N 1 0 508.617 5.523 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000006001966 561700820 /nfs/dbraw/zinc/70/08/20/561700820.db2.gz YZARHHJVMXTBDM-ZCNNKMAESA-N 1 0 635.757 7.276 1 0 KKAFRO COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716053 561702930 /nfs/dbraw/zinc/70/29/30/561702930.db2.gz LKRNZKIENIKMKS-SFHVURJKSA-N 1 0 562.026 6.451 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585191 561705822 /nfs/dbraw/zinc/70/58/22/561705822.db2.gz OIYZVIZIRLVDIJ-OWGSQAEBSA-N 1 0 573.699 8.561 1 0 KKAFRO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597791 561706217 /nfs/dbraw/zinc/70/62/17/561706217.db2.gz BXFWXAHHGFPRIK-UHFFFAOYSA-N 1 0 571.766 5.782 1 0 KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679903 561706876 /nfs/dbraw/zinc/70/68/76/561706876.db2.gz KJOIRNUOPVSAQC-YWXNZHFBSA-N 1 0 585.713 10.061 3 0 KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679915 561706885 /nfs/dbraw/zinc/70/68/85/561706885.db2.gz KBSMGRBHVBYBIY-ZCGWPHLNSA-N 1 0 515.663 8.774 1 0 KKAFRO CC[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc21 ZINC000008689934 561707649 /nfs/dbraw/zinc/70/76/49/561707649.db2.gz RIEFGETUVZRVBO-JCLYDOAMSA-N 1 0 595.653 8.034 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000008693913 561708180 /nfs/dbraw/zinc/70/81/80/561708180.db2.gz RCRMFTXYFLYPIV-UHFFFAOYSA-N 1 0 552.018 5.554 3 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccc3ncccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000009575199 561709203 /nfs/dbraw/zinc/70/92/03/561709203.db2.gz ZZUNUVBTJDPEEV-AIODKQKWSA-N 1 0 765.945 5.110 1 0 KKAFRO CC(C)S(=O)(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440382 561712466 /nfs/dbraw/zinc/71/24/66/561712466.db2.gz LSOHVGBWXSGCMC-UHFFFAOYSA-N 1 0 518.723 5.581 1 0 KKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)CC2)cc1 ZINC000013440398 561712489 /nfs/dbraw/zinc/71/24/89/561712489.db2.gz MDTMXEFHEMINEK-UHFFFAOYSA-N 1 0 512.763 7.413 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(I)cc3)CC2)CC1 ZINC000013474975 561714610 /nfs/dbraw/zinc/71/46/10/561714610.db2.gz CPELYVWCRNINCS-UHFFFAOYSA-N 1 0 530.494 5.857 1 0 KKAFRO CC(=O)c1cccc(NC(=O)Nc2ccc(C(N)=O)cc2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475848 561714682 /nfs/dbraw/zinc/71/46/82/561714682.db2.gz WLMDJDKSCHHUMP-UHFFFAOYSA-N 1 0 502.590 5.226 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(OC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487120 561715173 /nfs/dbraw/zinc/71/51/73/561715173.db2.gz PAIUNIRTUIJSDU-UHFFFAOYSA-N 1 0 520.819 6.945 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489490 561715905 /nfs/dbraw/zinc/71/59/05/561715905.db2.gz JBTVOWMPTOMYFD-GDLZYMKVSA-N 1 0 515.444 5.906 1 0 KKAFRO CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529131 561717508 /nfs/dbraw/zinc/71/75/08/561717508.db2.gz DCAZAGGSPNTUCU-DITALETJSA-N 1 0 509.690 6.558 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[N@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553290 561718267 /nfs/dbraw/zinc/71/82/67/561718267.db2.gz XDMMCTICBNVRHD-FQEVSTJZSA-N 1 0 519.592 5.014 1 0 KKAFRO C[NH2+]Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013559604 561719567 /nfs/dbraw/zinc/71/95/67/561719567.db2.gz KUPDICLCUUMCDF-UHFFFAOYSA-N 1 0 517.473 6.589 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](Cc1ccc(C)o1)C(=O)NC1CCCCC1 ZINC000013581712 561720202 /nfs/dbraw/zinc/72/02/02/561720202.db2.gz IRQZEYBHGZCGEZ-PMERELPUSA-N 1 0 532.729 5.817 1 0 KKAFRO O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588392 561720988 /nfs/dbraw/zinc/72/09/88/561720988.db2.gz JQFIBEBVODCPDV-WJOKGBTCSA-N 1 0 515.697 7.947 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643405 561722338 /nfs/dbraw/zinc/72/23/38/561722338.db2.gz OJUQZWAQJCEVIB-UHFFFAOYSA-N 1 0 518.872 6.310 1 0 KKAFRO COc1ccc(C(=O)NCC2CC[NH+](C3CCCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643500 561722474 /nfs/dbraw/zinc/72/24/74/561722474.db2.gz DEEGMNGYQUUMOX-UHFFFAOYSA-N 1 0 533.540 6.788 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000013660998 561723368 /nfs/dbraw/zinc/72/33/68/561723368.db2.gz UPXQBLPCYIPMQK-RUZDIDTESA-N 1 0 514.666 6.407 3 0 KKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661269 561723599 /nfs/dbraw/zinc/72/35/99/561723599.db2.gz BVLUFAKPRYIHIB-GJZUVCINSA-N 1 0 527.661 6.740 3 0 KKAFRO O=C(CCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679415 561724550 /nfs/dbraw/zinc/72/45/50/561724550.db2.gz XUNDGPOBBOBIHO-UHFFFAOYSA-N 1 0 523.508 7.233 1 0 KKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccc(C(F)(F)F)cc34)c3ccccc32)cc1 ZINC000013741544 561726022 /nfs/dbraw/zinc/72/60/22/561726022.db2.gz APVFTNRKXVIFQR-UHFFFAOYSA-N 1 0 522.586 7.633 1 0 KKAFRO CCCC[C@@H]1CCc2cc(C(=O)C(C)C)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740444 561726071 /nfs/dbraw/zinc/72/60/71/561726071.db2.gz HGRLRYSQVKQOPB-HHHXNRCGSA-N 1 0 500.731 6.534 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781683 561729438 /nfs/dbraw/zinc/72/94/38/561729438.db2.gz TUGILCFBIODMPH-MHZLTWQESA-N 1 0 512.716 5.812 1 0 KKAFRO O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CC[NH+]([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 ZINC000013806862 561731491 /nfs/dbraw/zinc/73/14/91/561731491.db2.gz RZYITGJRSITIGE-DEOSSOPVSA-N 1 0 520.504 6.192 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820577 561732611 /nfs/dbraw/zinc/73/26/11/561732611.db2.gz WCFIHELNALCPDD-UHFFFAOYSA-N 1 0 505.584 5.997 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2cc(Cl)ccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820100 561732626 /nfs/dbraw/zinc/73/26/26/561732626.db2.gz NSITXENFFTWYLM-MUXSNRJPSA-N 1 0 516.126 6.151 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000013829724 561733296 /nfs/dbraw/zinc/73/32/96/561733296.db2.gz DFOQIPDEMBIDFU-JOCHJYFZSA-N 1 0 507.627 5.889 1 0 KKAFRO CSc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834309 561734074 /nfs/dbraw/zinc/73/40/74/561734074.db2.gz ULMSNOSBZQNIKK-UHFFFAOYSA-N 1 0 503.689 7.092 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000013862486 561734754 /nfs/dbraw/zinc/73/47/54/561734754.db2.gz IWFUKLIMSBWEIS-UHFFFAOYSA-N 1 0 520.076 7.854 1 0 KKAFRO CCCCC1(CCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000013863926 561735115 /nfs/dbraw/zinc/73/51/15/561735115.db2.gz FDJQARYJQHXLKI-HKBQPEDESA-N 1 0 532.732 8.600 1 0 KKAFRO C[NH+](C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000014141246 561737078 /nfs/dbraw/zinc/73/70/78/561737078.db2.gz VTTUVOLMPNOBRT-LDLOPFEMSA-N 1 0 612.774 6.583 1 0 KKAFRO CC[C@H](C)[C@H]([NH2+]C[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000014176220 561737297 /nfs/dbraw/zinc/73/72/97/561737297.db2.gz NXIHJWJQJIGCQT-LASKTHCNSA-N 1 0 600.553 7.149 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000014176216 561737348 /nfs/dbraw/zinc/73/73/48/561737348.db2.gz NXIHJWJQJIGCQT-WMQVBLFHSA-N 1 0 600.553 7.149 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCCF ZINC000014209591 561737686 /nfs/dbraw/zinc/73/76/86/561737686.db2.gz KDEFFRZENHEKTD-AREMUKBSSA-N 1 0 607.579 5.343 1 0 KKAFRO CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1 ZINC000014209321 561737717 /nfs/dbraw/zinc/73/77/17/561737717.db2.gz GBSQCLVMGDMQSW-RYWJPUDZSA-N 1 0 618.649 6.956 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000014209902 561737766 /nfs/dbraw/zinc/73/77/66/561737766.db2.gz IFDBWKFSUPQKCA-OLUZHXLYSA-N 1 0 621.266 5.734 1 0 KKAFRO CS(=O)(=O)CC[NH2+]CCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000014945057 561742883 /nfs/dbraw/zinc/74/28/83/561742883.db2.gz FUAWEXVTNBAJGV-UHFFFAOYSA-N 1 0 573.090 5.538 1 0 KKAFRO COc1cc(OC)cc(-c2cc3cnc(NCCCCC[NH+]4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000014945337 561743032 /nfs/dbraw/zinc/74/30/32/561743032.db2.gz PGLZJHICUYCCJE-UHFFFAOYSA-N 1 0 550.704 5.148 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(NS(C)(=O)=O)c4)c3C2=O)cc1 ZINC000014950587 561745649 /nfs/dbraw/zinc/74/56/49/561745649.db2.gz KSINTWWJWBSRMR-UHFFFAOYSA-N 1 0 583.636 5.194 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950820 561745770 /nfs/dbraw/zinc/74/57/70/561745770.db2.gz RPUAJKDGVVDDHX-HKBQPEDESA-N 1 0 617.713 7.008 1 0 KKAFRO CC(C)[NH2+]Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000014951119 561745862 /nfs/dbraw/zinc/74/58/62/561745862.db2.gz BQUAXYUZCNMCEI-UHFFFAOYSA-N 1 0 552.532 6.171 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1 ZINC000014950930 561745909 /nfs/dbraw/zinc/74/59/09/561745909.db2.gz HOMLILSZEAMAIN-HSZRJFAPSA-N 1 0 529.669 6.879 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(-c2c[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1 ZINC000014951308 561745992 /nfs/dbraw/zinc/74/59/92/561745992.db2.gz MHUDSSWPYCLMLR-UHFFFAOYSA-N 1 0 544.537 6.264 1 0 KKAFRO CC(C)Oc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953509 561746569 /nfs/dbraw/zinc/74/65/69/561746569.db2.gz OCXDHMHFDLCZGZ-UHFFFAOYSA-N 1 0 542.507 6.444 1 0 KKAFRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Cl ZINC000014953541 561746609 /nfs/dbraw/zinc/74/66/09/561746609.db2.gz VPVZSERFJANUOF-UHFFFAOYSA-N 1 0 548.898 6.318 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959710 561748261 /nfs/dbraw/zinc/74/82/61/561748261.db2.gz RASORPKPULRQAN-UHFFFAOYSA-N 1 0 532.069 6.101 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962908 561748718 /nfs/dbraw/zinc/74/87/18/561748718.db2.gz HXTBRWBQSSNSIS-UHFFFAOYSA-N 1 0 530.446 7.888 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]CCCO2)c1Cl ZINC000014963137 561748770 /nfs/dbraw/zinc/74/87/70/561748770.db2.gz PQEQQMLZYPTIEQ-UHFFFAOYSA-N 1 0 582.897 5.825 1 0 KKAFRO CC1(C)CC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC(C)(C)[NH2+]1 ZINC000014963002 561748796 /nfs/dbraw/zinc/74/87/96/561748796.db2.gz KRVICYSFUWOTBR-UHFFFAOYSA-N 1 0 559.929 7.186 1 0 KKAFRO Cc1cccc(C)c1OC(=O)N(c1ccc(-c2ccccc2)cc1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000014965431 561749611 /nfs/dbraw/zinc/74/96/11/561749611.db2.gz DXMWOOBCASSUSW-UHFFFAOYSA-N 1 0 584.724 7.593 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)n2)cc1 ZINC000014965410 561749622 /nfs/dbraw/zinc/74/96/22/561749622.db2.gz HLSZVIJXLSHTNC-UHFFFAOYSA-N 1 0 538.652 5.935 1 0 KKAFRO c1cn(CCCNc2ccnc3oc(-c4ccc(OCC[NH+]5CCCCC5)cc4)c(-c4ccccc4)c32)cn1 ZINC000014965397 561749647 /nfs/dbraw/zinc/74/96/47/561749647.db2.gz JZVXAFREQFUEDW-UHFFFAOYSA-N 1 0 521.665 6.725 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000014970378 561750941 /nfs/dbraw/zinc/75/09/41/561750941.db2.gz RJPIWPXFPIJADI-SSEXGKCCSA-N 1 0 575.717 5.220 1 0 KKAFRO CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000014970476 561750976 /nfs/dbraw/zinc/75/09/76/561750976.db2.gz KXINUWXQXWZNNY-AJQTZOPKSA-N 1 0 571.729 5.730 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000014970564 561751056 /nfs/dbraw/zinc/75/10/56/561751056.db2.gz MUMIOCPFGKBWRY-MGBGTMOVSA-N 1 0 601.755 5.482 1 0 KKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545697 561755855 /nfs/dbraw/zinc/75/58/55/561755855.db2.gz RCSPFHBAQYBMER-ZJSXRUAMSA-N 1 0 541.644 6.460 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000017545676 561755865 /nfs/dbraw/zinc/75/58/65/561755865.db2.gz RUDOVWVZIBYLAA-HKBQPEDESA-N 1 0 597.800 6.953 3 0 KKAFRO COc1ccc([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000017545688 561755889 /nfs/dbraw/zinc/75/58/89/561755889.db2.gz IFPCQGFXMAXFBA-SSEXGKCCSA-N 1 0 590.720 6.830 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545809 561756019 /nfs/dbraw/zinc/75/60/19/561756019.db2.gz SCRRLRZNYGLGNP-LQJZCPKCSA-N 1 0 635.805 6.564 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545815 561756115 /nfs/dbraw/zinc/75/61/15/561756115.db2.gz SCRRLRZNYGLGNP-SAIUNTKASA-N 1 0 635.805 6.564 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545854 561756124 /nfs/dbraw/zinc/75/61/24/561756124.db2.gz WGQCVUUUJSQMIV-RCZVLFRGSA-N 1 0 581.750 6.823 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+](CC)CC)c1cc(OC)c(OC)c(OC)c1 ZINC000017545860 561756139 /nfs/dbraw/zinc/75/61/39/561756139.db2.gz ZYYIKJVDQPHUGQ-HSZRJFAPSA-N 1 0 555.712 6.433 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577488 561756695 /nfs/dbraw/zinc/75/66/95/561756695.db2.gz VOOOYBCZHYEAAU-AQIUQABFSA-N 1 0 546.036 7.838 3 0 KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655031 561757772 /nfs/dbraw/zinc/75/77/72/561757772.db2.gz YZLHJDXGHOKASL-VMPREFPWSA-N 1 0 571.762 6.285 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655001 561757804 /nfs/dbraw/zinc/75/78/04/561757804.db2.gz NSMBJRVAUNACHA-IZLXSDGUSA-N 1 0 557.735 5.895 1 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655087 561757978 /nfs/dbraw/zinc/75/79/78/561757978.db2.gz ZDBKWMSLDSBPEF-IZZNHLLZSA-N 1 0 604.744 5.854 1 0 KKAFRO COc1ccc([C@H]2C=CC[N@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018182084 561758166 /nfs/dbraw/zinc/75/81/66/561758166.db2.gz PMFCRKQEBIMFMP-SAIUNTKASA-N 1 0 526.696 6.968 1 0 KKAFRO O[C@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019365465 561758296 /nfs/dbraw/zinc/75/82/96/561758296.db2.gz DEEUPPNPQSCODX-HHHXNRCGSA-N 1 0 509.488 5.296 1 0 KKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCCC(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000021986370 561758817 /nfs/dbraw/zinc/75/88/17/561758817.db2.gz NZEHVFLXVPQUHX-UHFFFAOYSA-N 1 0 523.973 7.533 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(CN3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000022926588 561759716 /nfs/dbraw/zinc/75/97/16/561759716.db2.gz BIMHPQLSNVDIIN-UHFFFAOYSA-N 1 0 519.835 6.219 1 0 KKAFRO O=C(CCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940051 561760808 /nfs/dbraw/zinc/76/08/08/561760808.db2.gz XEDCDXNHPOXCNC-CUXWIDLWSA-N 1 0 503.756 5.867 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000022941794 561761061 /nfs/dbraw/zinc/76/10/61/561761061.db2.gz IUHUKZRXWQPIFE-LJAQVGFWSA-N 1 0 506.694 6.309 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022940866 561761094 /nfs/dbraw/zinc/76/10/94/561761094.db2.gz PSQJTKUPFCWUEO-VWLOTQADSA-N 1 0 504.502 5.352 1 0 KKAFRO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 ZINC000023249191 561761408 /nfs/dbraw/zinc/76/14/08/561761408.db2.gz RBLCKVWSBGCRJN-SAIUNTKASA-N 1 0 616.181 5.596 1 0 KKAFRO COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CC[NH+](C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357775 561761525 /nfs/dbraw/zinc/76/15/25/561761525.db2.gz DFSRCPBSJAXTNU-UHFFFAOYSA-N 1 0 595.535 5.701 1 0 KKAFRO COc1ccc2nc(NCCC[NH+](C)CCCNc3nc4ccc(OC)cc4n4cccc34)c3cccn3c2c1 ZINC000026152486 561767781 /nfs/dbraw/zinc/76/77/81/561767781.db2.gz FYXQWWFEXDLFAM-UHFFFAOYSA-N 1 0 537.668 5.542 1 0 KKAFRO COc1ccc(CCC[NH+]2CCC(COC(c3ccc(Br)cc3)c3ccc(Br)cc3)CC2)cc1 ZINC000025996506 561765017 /nfs/dbraw/zinc/76/50/17/561765017.db2.gz AECKKEDVYYYKSF-UHFFFAOYSA-N 1 0 587.396 7.671 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026009475 561765740 /nfs/dbraw/zinc/76/57/40/561765740.db2.gz UTZKWISWBRTAEP-UHFFFAOYSA-N 1 0 640.747 7.040 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008143 561765752 /nfs/dbraw/zinc/76/57/52/561765752.db2.gz GCGPDMHRIZLRII-UHFFFAOYSA-N 1 0 607.195 6.674 1 0 KKAFRO C[NH+](C)Cc1oc2ccccc2c1C[C@@](C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 ZINC000026153008 561767976 /nfs/dbraw/zinc/76/79/76/561767976.db2.gz BUEBEWBKGTZUAF-GKPFONBGSA-N 1 0 557.735 5.705 1 0 KKAFRO C[NH+](CCCNc1nc2ccc(Cl)cc2n2cccc12)CCCNc1nc2ccc(Cl)cc2n2cccc12 ZINC000026144100 561766985 /nfs/dbraw/zinc/76/69/85/561766985.db2.gz XGSZMHCHAKQPCV-UHFFFAOYSA-N 1 0 546.506 6.831 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 ZINC000026146180 561767130 /nfs/dbraw/zinc/76/71/30/561767130.db2.gz LFWRQDJRCRSTSQ-UHFFFAOYSA-N 1 0 574.607 7.232 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160946 561768579 /nfs/dbraw/zinc/76/85/79/561768579.db2.gz XOLUMIJQZDSNAE-URXFXBBRSA-N 1 0 504.652 5.097 1 0 KKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026166003 561769224 /nfs/dbraw/zinc/76/92/24/561769224.db2.gz YVJCKFKMZVODMS-YKSBVNFPSA-N 1 0 512.597 6.099 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166953 561769304 /nfs/dbraw/zinc/76/93/04/561769304.db2.gz RSPWHGICVNMFPG-URXFXBBRSA-N 1 0 504.652 5.097 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NCc1ccccc1 ZINC000026172882 561770286 /nfs/dbraw/zinc/77/02/86/561770286.db2.gz JANCESINOVSQRO-LVCCDNIOSA-N 1 0 704.872 5.083 1 0 KKAFRO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2Cl)cc1 ZINC000026183077 561772013 /nfs/dbraw/zinc/77/20/13/561772013.db2.gz WYTZVAKESSXSGN-MKPDMIMOSA-N 1 0 501.070 6.727 1 0 KKAFRO CC(C)N(C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1)C(C)C ZINC000026182594 561772077 /nfs/dbraw/zinc/77/20/77/561772077.db2.gz SNXWEUBBRHJIEA-CZFRINIUSA-N 1 0 506.734 7.617 1 0 KKAFRO CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026184521 561772274 /nfs/dbraw/zinc/77/22/74/561772274.db2.gz BPBXLBMJYVSLOP-QRRGNZNSSA-N 1 0 508.706 6.849 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CC[C@@H]3[C@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189290 561773182 /nfs/dbraw/zinc/77/31/82/561773182.db2.gz LVISBZKPLIJIAQ-IXCJQBJRSA-N 1 0 511.638 5.342 1 0 KKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3c(c2)OCO3)cc1 ZINC000026248023 561773633 /nfs/dbraw/zinc/77/36/33/561773633.db2.gz WETZQYWACQZUCR-ISILISOKSA-N 1 0 508.662 6.526 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CCCc1ccccc1 ZINC000026262343 561775736 /nfs/dbraw/zinc/77/57/36/561775736.db2.gz MNFBAYCPPKGRMJ-ACHIHNKUSA-N 1 0 585.789 5.827 1 0 KKAFRO CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295410 561781340 /nfs/dbraw/zinc/78/13/40/561781340.db2.gz ZABNQKMXHNVFGT-IFZVWTTESA-N 1 0 726.959 5.639 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026282022 561779193 /nfs/dbraw/zinc/77/91/93/561779193.db2.gz BZAQMPAUHHKIFU-UHFFFAOYSA-N 1 0 625.745 5.837 1 0 KKAFRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Oc2ccccc2)cc1 ZINC000026376799 561782242 /nfs/dbraw/zinc/78/22/42/561782242.db2.gz YKWRHYNVKICDLL-LJAQVGFWSA-N 1 0 515.654 5.195 1 0 KKAFRO CC[NH+](CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026384002 561783871 /nfs/dbraw/zinc/78/38/71/561783871.db2.gz TUIMHIBJZZZHRQ-JZLAJQMUSA-N 1 0 707.817 5.546 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026384753 561784121 /nfs/dbraw/zinc/78/41/21/561784121.db2.gz AQTWXHKJEFVDRR-UHFFFAOYSA-N 1 0 676.782 6.176 1 0 KKAFRO COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1Cn1cccn1 ZINC000026388387 561785055 /nfs/dbraw/zinc/78/50/55/561785055.db2.gz WIGAASFXSQDZFN-UHFFFAOYSA-N 1 0 523.637 5.185 1 0 KKAFRO NC([NH3+])c1ccc([C@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390795 561785826 /nfs/dbraw/zinc/78/58/26/561785826.db2.gz HGGWYECIIAISPG-MGBGTMOVSA-N 1 0 579.593 7.175 1 0 KKAFRO O=C(NCCC[N@H+](CCNC(=O)OCc1ccccc1)CCc1c[nH]c2ccccc12)OCc1ccccc1 ZINC000026394022 561786387 /nfs/dbraw/zinc/78/63/87/561786387.db2.gz VLVOHAQIIPYBRK-UHFFFAOYSA-N 1 0 528.653 5.255 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026394331 561786532 /nfs/dbraw/zinc/78/65/32/561786532.db2.gz VWBZXOUIQRZOHZ-UHFFFAOYSA-N 1 0 658.792 6.037 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7cc(Cl)ccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026398507 561787610 /nfs/dbraw/zinc/78/76/10/561787610.db2.gz DRHJKWSLTIAGQI-UHFFFAOYSA-N 1 0 675.247 6.551 1 0 KKAFRO COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)C3 ZINC000026403367 561789086 /nfs/dbraw/zinc/78/90/86/561789086.db2.gz DICOBUHJULWHPR-RUZDIDTESA-N 1 0 526.681 5.624 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026477815 561791349 /nfs/dbraw/zinc/79/13/49/561791349.db2.gz SMZQSHCOJPJYFJ-QNOVMCAUSA-N 1 0 648.656 5.281 1 0 KKAFRO CCOC(=O)N(CC1CCCCC1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500798 561795429 /nfs/dbraw/zinc/79/54/29/561795429.db2.gz WMHAPICIKIEXDX-GDLZYMKVSA-N 1 0 569.812 5.984 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCC ZINC000026483036 561792030 /nfs/dbraw/zinc/79/20/30/561792030.db2.gz RYSGWDNWPBFHGS-UIKMQHARSA-N 1 0 592.592 5.122 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000026483509 561792155 /nfs/dbraw/zinc/79/21/55/561792155.db2.gz OGNKPCYDPFXKQE-KVHSSYOWSA-N 1 0 579.458 5.020 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026484326 561792279 /nfs/dbraw/zinc/79/22/79/561792279.db2.gz ADAFXJAYMPTMDM-SHMWJOFESA-N 1 0 607.512 5.798 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488141 561792804 /nfs/dbraw/zinc/79/28/04/561792804.db2.gz UFYKJCCSGPBIBE-KOUNENMGSA-N 1 0 663.576 5.959 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026494291 561794008 /nfs/dbraw/zinc/79/40/08/561794008.db2.gz KWILXWLMEXXFLT-MUUNZHRXSA-N 1 0 598.209 6.258 1 0 KKAFRO CCCN(C(=O)Cc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500381 561795342 /nfs/dbraw/zinc/79/53/42/561795342.db2.gz LQKUTPDIDRQGMQ-PMERELPUSA-N 1 0 561.792 5.427 1 0 KKAFRO Cc1cccc(CC[NH2+][C@H](C)c2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)c1 ZINC000026502739 561795878 /nfs/dbraw/zinc/79/58/78/561795878.db2.gz BNFDLMAILPXQNE-GOSISDBHSA-N 1 0 506.532 5.472 1 0 KKAFRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026504040 561796162 /nfs/dbraw/zinc/79/61/62/561796162.db2.gz SEPRFJGTZLHOFO-INIZCTEOSA-N 1 0 571.401 5.926 1 0 KKAFRO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+]([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c12 ZINC000026505658 561796589 /nfs/dbraw/zinc/79/65/89/561796589.db2.gz BLWAOIOYJZOAMQ-YTTGMZPUSA-N 1 0 522.656 6.394 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026566600 561797088 /nfs/dbraw/zinc/79/70/88/561797088.db2.gz QNQBWJMVOBQXKB-QNGWXLTQSA-N 1 0 710.699 6.086 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CC[C@H]2CCC(=O)N(C)C2)c1 ZINC000026576717 561800500 /nfs/dbraw/zinc/80/05/00/561800500.db2.gz CXUFKVCNFOSZHM-CJTJAOPVSA-N 1 0 596.860 7.082 1 0 KKAFRO CC(C)[NH+](CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1)C(C)C ZINC000026577221 561801246 /nfs/dbraw/zinc/80/12/46/561801246.db2.gz UQBZLKNWXDPGDG-UHFFFAOYSA-N 1 0 715.339 7.467 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@@H]5CCCC[C@@H]5[C@@H]5CCCC[C@@H]54)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026577645 561802177 /nfs/dbraw/zinc/80/21/77/561802177.db2.gz BKSRWLOPOUNWJY-CTKZYYEMSA-N 1 0 658.975 9.800 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1 ZINC000026578934 561803875 /nfs/dbraw/zinc/80/38/75/561803875.db2.gz DFFXDKRXIFQUQA-VLAOEWOHSA-N 1 0 597.655 6.004 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cccn(C)c2=O)c1 ZINC000026579454 561804698 /nfs/dbraw/zinc/80/46/98/561804698.db2.gz HLEXEUROULQVOE-OQERGNBTSA-N 1 0 592.828 6.765 1 0 KKAFRO COc1cc(NCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c(Cl)cc1C(=O)OCC[NH+]1CCCCC1 ZINC000026579466 561804700 /nfs/dbraw/zinc/80/47/00/561804700.db2.gz HCVUTCPGHVIMAD-UHFFFAOYSA-N 1 0 645.266 6.161 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000026579511 561804819 /nfs/dbraw/zinc/80/48/19/561804819.db2.gz NJTRIIAWECXRRV-MGPFPDDXSA-N 1 0 569.598 6.323 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000026579664 561805093 /nfs/dbraw/zinc/80/50/93/561805093.db2.gz QCBJDXAWTKFZMK-HHSLBVOYSA-N 1 0 626.071 6.596 1 0 KKAFRO C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026580141 561805592 /nfs/dbraw/zinc/80/55/92/561805592.db2.gz QBDQYYQDOAPAPB-CBZJRKILSA-N 1 0 666.886 5.705 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000026663246 561810637 /nfs/dbraw/zinc/81/06/37/561810637.db2.gz BADTXYGFGWBMDW-UKILVPOCSA-N 1 0 544.910 5.929 1 0 KKAFRO [NH3+]CCC[C@H]1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc43)C(=O)[C@H]12 ZINC000026663545 561810676 /nfs/dbraw/zinc/81/06/76/561810676.db2.gz DPGNBBMMTWINDM-IFDYJGHISA-N 1 0 554.760 5.354 1 0 KKAFRO CCCc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3[C@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000026664184 561810944 /nfs/dbraw/zinc/81/09/44/561810944.db2.gz IBTVWQOYCRXIFM-SSEXGKCCSA-N 1 0 520.695 5.156 1 0 KKAFRO CN(C)C(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026667240 561811420 /nfs/dbraw/zinc/81/14/20/561811420.db2.gz KQIVABWZJYITON-XMGMBJFZSA-N 1 0 678.726 7.711 1 0 KKAFRO COc1ccc(C[NH2+]Cc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)cc1 ZINC000026673355 561813116 /nfs/dbraw/zinc/81/31/16/561813116.db2.gz BNVVVBACQMXBRV-UHFFFAOYSA-N 1 0 544.099 6.355 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673352 561813131 /nfs/dbraw/zinc/81/31/31/561813131.db2.gz HTUOQHKWGZYQEG-UHFFFAOYSA-N 1 0 582.070 7.365 1 0 KKAFRO CC1CC[NH+](CCCCCCCCCCCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026725371 561815744 /nfs/dbraw/zinc/81/57/44/561815744.db2.gz NCPRDHJUGHXWFQ-UHFFFAOYSA-N 1 0 579.229 8.696 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026724925 561815762 /nfs/dbraw/zinc/81/57/62/561815762.db2.gz ADZSGFZICHOKOJ-KDXMTYKHSA-N 1 0 668.835 5.868 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729417 561816502 /nfs/dbraw/zinc/81/65/02/561816502.db2.gz BXJRBGNXZAKXLL-FLQNDTOOSA-N 1 0 517.629 5.138 1 0 KKAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000026747733 561819169 /nfs/dbraw/zinc/81/91/69/561819169.db2.gz OZLHOOXTNYHATN-MHZLTWQESA-N 1 0 635.831 5.453 1 0 KKAFRO C[C@@H]([NH2+]CCc1ccccc1-n1ccnc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817016 561820357 /nfs/dbraw/zinc/82/03/57/561820357.db2.gz CWQFUYIPHGCENY-BHSOYGCJSA-N 1 0 517.802 7.049 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833529 561823538 /nfs/dbraw/zinc/82/35/38/561823538.db2.gz MGIDXWHXFOXZPR-FUFSCUOVSA-N 1 0 542.079 5.727 1 0 KKAFRO O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026833520 561823573 /nfs/dbraw/zinc/82/35/73/561823573.db2.gz HJLPYDCDKYIKCT-MXBOTTGLSA-N 1 0 555.122 6.338 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835396 561824110 /nfs/dbraw/zinc/82/41/10/561824110.db2.gz MGIDXWHXFOXZPR-OUTSHDOLSA-N 1 0 542.079 5.727 1 0 KKAFRO C[N@H+](CCCN1C(=S)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836380 561824463 /nfs/dbraw/zinc/82/44/63/561824463.db2.gz UMIAUEYAPOVSMU-MUUNZHRXSA-N 1 0 558.810 6.492 1 0 KKAFRO C[C@@](CC[NH+]1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 ZINC000026839070 561825165 /nfs/dbraw/zinc/82/51/65/561825165.db2.gz FGFRONXSKVOYOY-QIKUIUABSA-N 1 0 569.149 6.512 1 0 KKAFRO Cn1cc(C[C@H]2NC(=O)N(C[C@H](CC[NH+]3CCC(c4ccccc4)CC3)c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000026839269 561825318 /nfs/dbraw/zinc/82/53/18/561825318.db2.gz RKIZPVZFHNYEJF-JTSJOTPCSA-N 1 0 569.149 6.348 1 0 KKAFRO O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026839609 561825444 /nfs/dbraw/zinc/82/54/44/561825444.db2.gz IMKUHYXVQQEXJP-IOWSJCHKSA-N 1 0 585.839 6.949 1 0 KKAFRO CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCC[N@H+](CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841927 561825842 /nfs/dbraw/zinc/82/58/42/561825842.db2.gz JROGEIVTQALTED-LJAQVGFWSA-N 1 0 572.768 5.053 1 0 KKAFRO CC(C)[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026842525 561825958 /nfs/dbraw/zinc/82/59/58/561825958.db2.gz IJZQNIBRFABISG-PMERELPUSA-N 1 0 570.796 6.469 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026843052 561826147 /nfs/dbraw/zinc/82/61/47/561826147.db2.gz UYRIKGJBKKNPSC-XQJOSWFISA-N 1 0 656.227 6.581 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C)CC2)c(C(C)C)c1 ZINC000026849486 561827050 /nfs/dbraw/zinc/82/70/50/561827050.db2.gz ORVQAEPSSZSIJP-NDEPHWFRSA-N 1 0 554.801 5.489 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@H]2OCc2cccc3c2NCCC3)cc1 ZINC000027081290 561835162 /nfs/dbraw/zinc/83/51/62/561835162.db2.gz GRMUUYATJYSIHM-BVRKHOPBSA-N 1 0 516.682 5.701 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026956094 561829218 /nfs/dbraw/zinc/82/92/18/561829218.db2.gz FJGKVFWXFGAENH-PXDATVDWSA-N 1 0 559.585 5.799 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026956106 561829237 /nfs/dbraw/zinc/82/92/37/561829237.db2.gz FJGKVFWXFGAENH-SQJMNOBHSA-N 1 0 559.585 5.799 1 0 KKAFRO CC[NH+](CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000027076923 561834375 /nfs/dbraw/zinc/83/43/75/561834375.db2.gz FFLIKULUAZFXNV-UHFFFAOYSA-N 1 0 674.806 5.842 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCC[NH+]3CCC(c4cccc(OC)c4)CC3)c2)C1C(=O)OC ZINC000027078446 561834646 /nfs/dbraw/zinc/83/46/46/561834646.db2.gz DKRKVNNABQANQQ-UTDZTPKCSA-N 1 0 606.789 5.672 1 0 KKAFRO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027099317 561838417 /nfs/dbraw/zinc/83/84/17/561838417.db2.gz CYCBXKJGMMXKHS-UHFFFAOYSA-N 1 0 568.649 5.210 1 0 KKAFRO Cc1cc(N)[nH+]c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C1CCCCC1)C1CCCCC1 ZINC000027197088 561844489 /nfs/dbraw/zinc/84/44/89/561844489.db2.gz CVJJKAXDDGZLEP-LITSAYRRSA-N 1 0 583.818 5.558 1 0 KKAFRO CC(C)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189706 561843270 /nfs/dbraw/zinc/84/32/70/561843270.db2.gz GSYWKUSBTVKLIY-UHFFFAOYSA-N 1 0 636.768 7.660 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccccc1 ZINC000027207865 561846345 /nfs/dbraw/zinc/84/63/45/561846345.db2.gz AKRLDNUSUDYWEE-CRNKYVSFSA-N 1 0 505.605 6.098 1 0 KKAFRO O=C(CCc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000027209181 561846638 /nfs/dbraw/zinc/84/66/38/561846638.db2.gz XGOHRXQNQVENKV-UHFFFAOYSA-N 1 0 524.488 5.414 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccc(I)cc1 ZINC000027209700 561846830 /nfs/dbraw/zinc/84/68/30/561846830.db2.gz VWUYWLASXQATSZ-ICYKMPLBSA-N 1 0 631.501 6.703 1 0 KKAFRO CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CC[NH+](CC)CC)n2c1=O ZINC000027323916 561853085 /nfs/dbraw/zinc/85/30/85/561853085.db2.gz RMTWNPZVHIZOGT-UHFFFAOYSA-N 1 0 644.836 5.998 1 0 KKAFRO O=NSC1(C[N@H+](CCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)Cc2ccccc2)CCCCC1 ZINC000027324274 561853312 /nfs/dbraw/zinc/85/33/12/561853312.db2.gz RJVPYONGDQUUDQ-UHFFFAOYSA-N 1 0 600.612 8.833 1 0 KKAFRO O=C(NCCC[NH+]1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027332438 561855316 /nfs/dbraw/zinc/85/53/16/561855316.db2.gz OIGDXAKQNTUARS-UHFFFAOYSA-N 1 0 531.526 5.639 1 0 KKAFRO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027407449 561855779 /nfs/dbraw/zinc/85/57/79/561855779.db2.gz VDKGSTLZQQFJLL-UHFFFAOYSA-N 1 0 623.729 5.796 1 0 KKAFRO COc1cc(OCC[N@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430743 561859236 /nfs/dbraw/zinc/85/92/36/561859236.db2.gz LGXYJZXPHICFLX-PMERELPUSA-N 1 0 588.811 5.988 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)c2=O)cc1 ZINC000027438730 561860425 /nfs/dbraw/zinc/86/04/25/561860425.db2.gz LQUHPSCNOVBDIJ-ZDERHKTGSA-N 1 0 603.188 5.876 1 0 KKAFRO C[C@@H](c1ccc(I)cc1)N1CC[N@@H+](C2CCN(C(=O)c3c(F)cccc3I)CC2)C[C@@H]1C ZINC000027517442 561861187 /nfs/dbraw/zinc/86/11/87/561861187.db2.gz JXAPPEREGABNTD-ROUUACIJSA-N 1 0 661.341 5.407 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027517512 561861286 /nfs/dbraw/zinc/86/12/86/561861286.db2.gz PBZUGIXUZZZNKG-FQEVSTJZSA-N 1 0 532.044 5.419 1 0 KKAFRO CN(C[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517649 561861391 /nfs/dbraw/zinc/86/13/91/561861391.db2.gz HFHVHLAVHVRGJU-RUZDIDTESA-N 1 0 658.942 8.377 1 0 KKAFRO CN(C[C@@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517801 561861591 /nfs/dbraw/zinc/86/15/91/561861591.db2.gz BECWCZRLWGOCHQ-SANMLTNESA-N 1 0 555.607 6.417 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517898 561861642 /nfs/dbraw/zinc/86/16/42/561861642.db2.gz HXDFCVUEFGABQU-SANMLTNESA-N 1 0 555.607 5.945 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517974 561861647 /nfs/dbraw/zinc/86/16/47/561861647.db2.gz YLAVOXZWKHCONB-RUZDIDTESA-N 1 0 610.470 7.381 1 0 KKAFRO Cc1oc(=O)oc1C[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027517902 561861686 /nfs/dbraw/zinc/86/16/86/561861686.db2.gz QPWWPFQSAKMDMA-JGCGQSQUSA-N 1 0 623.686 5.994 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+](CCO)CCO)CC1 ZINC000027518245 561862074 /nfs/dbraw/zinc/86/20/74/561862074.db2.gz WNRUNEPPOHUHGY-XMMPIXPASA-N 1 0 630.457 5.182 1 0 KKAFRO O[C@@H](COc1cccc2c1ccnc2Sc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027518655 561862496 /nfs/dbraw/zinc/86/24/96/561862496.db2.gz CHVBRBCMRRHUFT-GDLZYMKVSA-N 1 0 561.751 6.533 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccnc(C5CC5)n4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518724 561862511 /nfs/dbraw/zinc/86/25/11/561862511.db2.gz XGVZFROGCMORAK-QFIPXVFZSA-N 1 0 572.109 6.296 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(C)c2)cc1 ZINC000027518777 561862631 /nfs/dbraw/zinc/86/26/31/561862631.db2.gz JVEIHEXJFKDWES-MMMHUDGJSA-N 1 0 531.656 5.790 1 0 KKAFRO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027518916 561862775 /nfs/dbraw/zinc/86/27/75/561862775.db2.gz KUOUHUKIBBTXEV-PXNSSMCTSA-N 1 0 571.610 5.893 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000027519020 561862920 /nfs/dbraw/zinc/86/29/20/561862920.db2.gz AAXSMTSTCQSEEA-GNLINPSCSA-N 1 0 577.681 5.499 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccnc(C)n4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027519307 561863015 /nfs/dbraw/zinc/86/30/15/561863015.db2.gz LSWCHERKJUTYNF-OAQYLSRUSA-N 1 0 546.071 5.727 1 0 KKAFRO CCc1cccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000027520434 561863518 /nfs/dbraw/zinc/86/35/18/561863518.db2.gz HMWXVRNYPUAKEU-DJXTYDQKSA-N 1 0 545.683 6.044 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027524711 561865824 /nfs/dbraw/zinc/86/58/24/561865824.db2.gz ABJKTLXATIQLEH-SSEXGKCCSA-N 1 0 638.662 5.938 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Br)cc2Br)CC1 ZINC000027526660 561866350 /nfs/dbraw/zinc/86/63/50/561866350.db2.gz PBCXCUMHGNKYFZ-UHFFFAOYSA-N 1 0 552.376 6.574 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027527282 561866806 /nfs/dbraw/zinc/86/68/06/561866806.db2.gz QMADDIHSCBGERQ-UHFFFAOYSA-N 1 0 523.121 6.082 1 0 KKAFRO COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027549918 561867739 /nfs/dbraw/zinc/86/77/39/561867739.db2.gz WLLDCVHJRCZONV-SSEXGKCCSA-N 1 0 529.706 6.633 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)N1CCN([C@H]2CCCN(c3ccccc3)C2)C1=O ZINC000027555501 561869458 /nfs/dbraw/zinc/86/94/58/561869458.db2.gz ZIGSKINRKYMVCJ-LZEYHBPHSA-N 1 0 630.834 5.002 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCN(C)CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027560979 561870714 /nfs/dbraw/zinc/87/07/14/561870714.db2.gz FKGXUHCXAYJWCH-UHFFFAOYSA-N 1 0 554.735 6.059 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3Oc3ccccc3)cc1)CC2 ZINC000027654026 561877177 /nfs/dbraw/zinc/87/71/77/561877177.db2.gz WIHWHNCYFUMLIA-UHFFFAOYSA-N 1 0 508.618 6.349 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc4ccccc4n3)cc1)CC2 ZINC000027655776 561877439 /nfs/dbraw/zinc/87/74/39/561877439.db2.gz IHYIEVZVUPBFIO-UHFFFAOYSA-N 1 0 586.692 6.357 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000027657144 561877960 /nfs/dbraw/zinc/87/79/60/561877960.db2.gz BEEQXPRIGOACQA-QHCPKHFHSA-N 1 0 619.515 7.404 1 0 KKAFRO COc1ccc([C@H]2Sc3cc(F)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736166 561881835 /nfs/dbraw/zinc/88/18/35/561881835.db2.gz AEKRAIGQUFARMX-CLJLJLNGSA-N 1 0 508.615 5.110 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCCCCCOCCCCCc2ccccc2)C1 ZINC000027740417 561882486 /nfs/dbraw/zinc/88/24/86/561882486.db2.gz XWVOBBUZTLULSD-XLJNKUFUSA-N 1 0 569.763 5.848 1 0 KKAFRO C[NH+](C)C1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027869808 561888104 /nfs/dbraw/zinc/88/81/04/561888104.db2.gz JYQMSEKCPUABBR-UHFFFAOYSA-N 1 0 658.246 7.796 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCC[NH+](C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027877994 561888751 /nfs/dbraw/zinc/88/87/51/561888751.db2.gz JYIHNEXEMOABLT-CBCOYMTMSA-N 1 0 501.796 8.111 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887134 561889572 /nfs/dbraw/zinc/88/95/72/561889572.db2.gz WUQDKLRKJCHPFS-PMERELPUSA-N 1 0 525.064 5.915 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cnc3[nH]cnc3c2)c1 ZINC000027897201 561890392 /nfs/dbraw/zinc/89/03/92/561890392.db2.gz NVYYHQBULPXDNK-DBUALKDLSA-N 1 0 588.800 7.090 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2cccc3ncccc23)c1 ZINC000027901155 561890991 /nfs/dbraw/zinc/89/09/91/561890991.db2.gz OREBMADZDPBHSM-KZZSTRQFSA-N 1 0 626.889 9.147 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2cncc3ccccc32)c1 ZINC000027981978 561891808 /nfs/dbraw/zinc/89/18/08/561891808.db2.gz SCOJMVHPJZVNGW-DMBJWNJESA-N 1 0 612.862 8.757 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000027997129 561894038 /nfs/dbraw/zinc/89/40/38/561894038.db2.gz SEKAXGVMWBVITH-YTTGMZPUSA-N 1 0 580.556 5.845 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(O)(c4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997422 561894053 /nfs/dbraw/zinc/89/40/53/561894053.db2.gz GGHMYUMZXWTTQT-HKBQPEDESA-N 1 0 616.542 5.113 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000027999897 561894607 /nfs/dbraw/zinc/89/46/07/561894607.db2.gz HFTDAWJFAQMENN-ZUHDFBLUSA-N 1 0 625.187 5.335 1 0 KKAFRO COc1cc2c(cc1OCC[NH2+]CCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000028002821 561894970 /nfs/dbraw/zinc/89/49/70/561894970.db2.gz SBAQNALMGGEPLL-UHFFFAOYSA-N 1 0 519.617 6.177 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007103 561895803 /nfs/dbraw/zinc/89/58/03/561895803.db2.gz KXMSNVZBMZCZNF-CRJIABDTSA-N 1 0 652.855 7.820 1 0 KKAFRO COc1ccc(OCCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007013 561895821 /nfs/dbraw/zinc/89/58/21/561895821.db2.gz ZDDOKQGCSSPNEM-PGUFJCEWSA-N 1 0 619.828 6.279 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028008870 561896091 /nfs/dbraw/zinc/89/60/91/561896091.db2.gz ZWOQMOJOUOIONP-WJOKGBTCSA-N 1 0 548.680 6.356 1 0 KKAFRO CCCn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011255 561896348 /nfs/dbraw/zinc/89/63/48/561896348.db2.gz PCDLAZBOJIOXQD-UQDPWRLZSA-N 1 0 596.860 7.007 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000028012733 561896517 /nfs/dbraw/zinc/89/65/17/561896517.db2.gz NKIUUIQCFJBFIE-VWLOTQADSA-N 1 0 525.520 6.265 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011427 561896521 /nfs/dbraw/zinc/89/65/21/561896521.db2.gz NFDIIEKBTXCQDG-JGCGQSQUSA-N 1 0 580.747 6.212 1 0 KKAFRO COc1cc(CCN2CC[NH+](CCCCOc3ccc(Cl)cc3[C@H]3Sc4ccccc4N3C(C)=O)CC2)cc(OC)c1OC ZINC000028013176 561896732 /nfs/dbraw/zinc/89/67/32/561896732.db2.gz BMOOPJSSGFKUKB-UUWRZZSWSA-N 1 0 640.246 6.543 1 0 KKAFRO Cn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014175 561896962 /nfs/dbraw/zinc/89/69/62/561896962.db2.gz CDQNFYDAQGBSAS-VUHKNJSWSA-N 1 0 568.806 6.134 1 0 KKAFRO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028019743 561898075 /nfs/dbraw/zinc/89/80/75/561898075.db2.gz VWYAKQIBNSPPEC-GFJCEQABSA-N 1 0 644.876 7.350 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021454 561898475 /nfs/dbraw/zinc/89/84/75/561898475.db2.gz FSHOMAHJUYDWJR-PTTLIBFYSA-N 1 0 616.866 7.325 1 0 KKAFRO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022013 561898697 /nfs/dbraw/zinc/89/86/97/561898697.db2.gz JAZDXLMRRUTSBU-GFJCEQABSA-N 1 0 658.903 7.739 1 0 KKAFRO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028023067 561898961 /nfs/dbraw/zinc/89/89/61/561898961.db2.gz VDRHHLLGNIGFLU-NNYJQHGCSA-N 1 0 562.730 5.343 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCC[NH2+]CC2)cc1 ZINC000028085972 561898999 /nfs/dbraw/zinc/89/89/99/561898999.db2.gz QAOJXMKGOCECEF-UHFFFAOYSA-N 1 0 560.485 6.360 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1C ZINC000028086484 561899110 /nfs/dbraw/zinc/89/91/10/561899110.db2.gz OXBZNPLKDFFHHC-MGBGTMOVSA-N 1 0 624.609 6.012 1 0 KKAFRO CCn1nc(Cc2ccccc2F)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086970 561899202 /nfs/dbraw/zinc/89/92/02/561899202.db2.gz PQERIGBWDFXHHY-MRPJDYLLSA-N 1 0 564.721 5.776 1 0 KKAFRO CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000028092132 561900069 /nfs/dbraw/zinc/90/00/69/561900069.db2.gz MXWBHDROFAXUDI-XIFFEERXSA-N 1 0 558.744 6.997 1 0 KKAFRO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028092382 561900100 /nfs/dbraw/zinc/90/01/00/561900100.db2.gz RGIPYCSQKBJEOA-KJCODNFBSA-N 1 0 604.811 6.426 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093856 561900351 /nfs/dbraw/zinc/90/03/51/561900351.db2.gz JPIGMEITTGHWBF-FZKFUBHISA-N 1 0 590.784 6.036 1 0 KKAFRO COc1ccc(CC[NH2+]CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028101756 561901715 /nfs/dbraw/zinc/90/17/15/561901715.db2.gz KQGPSZYXWZEGGU-UHFFFAOYSA-N 1 0 536.694 5.514 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000028106014 561902307 /nfs/dbraw/zinc/90/23/07/561902307.db2.gz BGOXVMFCSBFTSC-ZEQKJWHPSA-N 1 0 584.602 6.267 1 0 KKAFRO O=C1NC(=O)C(c2nn(CCC[NH+]3CCCC3)c3ccccc32)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12 ZINC000028111765 561903168 /nfs/dbraw/zinc/90/31/68/561903168.db2.gz AOIKKLIBKSSHQP-UHFFFAOYSA-N 1 0 565.677 6.187 1 0 KKAFRO C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000028112041 561903175 /nfs/dbraw/zinc/90/31/75/561903175.db2.gz GUMUOONUTXLUDP-UHFFFAOYSA-N 1 0 502.873 7.099 1 0 KKAFRO CN1CC[NH+](CCCn2nc(C3=C(c4cn(-c5ccc6ccccc6c5)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1 ZINC000028111772 561903186 /nfs/dbraw/zinc/90/31/86/561903186.db2.gz VJVSHXVHOJVSOB-UHFFFAOYSA-N 1 0 594.719 5.338 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112536 561903286 /nfs/dbraw/zinc/90/32/86/561903286.db2.gz NLMFMSDGYBOUTF-HXUWFJFHSA-N 1 0 572.408 7.546 1 0 KKAFRO COCCOc1ccc(C2CC[NH+](Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1 ZINC000028113586 561903351 /nfs/dbraw/zinc/90/33/51/561903351.db2.gz WRDMAHSXMXZSEA-UHFFFAOYSA-N 1 0 524.625 5.038 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000028113397 561903388 /nfs/dbraw/zinc/90/33/88/561903388.db2.gz JLGKUPJDEGSXJD-OAQYLSRUSA-N 1 0 571.515 7.258 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028114599 561903470 /nfs/dbraw/zinc/90/34/70/561903470.db2.gz XWTXCJZHFFXBFP-NRFANRHFSA-N 1 0 571.515 7.258 1 0 KKAFRO C[NH+](C)CCCn1nc(C2=C(c3cn(-c4csc5ccccc54)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000028114540 561903530 /nfs/dbraw/zinc/90/35/30/561903530.db2.gz DVXSJBDRMIDVMC-UHFFFAOYSA-N 1 0 545.668 5.714 1 0 KKAFRO CN(C)C(=[NH2+])c1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1 ZINC000028114748 561903674 /nfs/dbraw/zinc/90/36/74/561903674.db2.gz AGSZXFWXEIGOTP-UHFFFAOYSA-N 1 0 532.431 6.447 1 0 KKAFRO COc1cccc(NC(=O)NC[C@H](CCN2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028115771 561903794 /nfs/dbraw/zinc/90/37/94/561903794.db2.gz AUAOCEZREQZZSP-QFIPXVFZSA-N 1 0 533.544 6.248 1 0 KKAFRO Cc1cccc(NC(=O)NC[C@H](CCN2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028117629 561904122 /nfs/dbraw/zinc/90/41/22/561904122.db2.gz KIGNGGYJNXGYFO-QHCPKHFHSA-N 1 0 517.545 6.548 1 0 KKAFRO C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028133645 561906243 /nfs/dbraw/zinc/90/62/43/561906243.db2.gz QVFTZVPVDAIMDC-DERQMEARSA-N 1 0 561.748 5.527 1 0 KKAFRO Cc1ccccc1-c1cc(N2CCC([NH+]3CCCC3)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028135892 561906550 /nfs/dbraw/zinc/90/65/50/561906550.db2.gz YEKUUKBWRXINQL-UHFFFAOYSA-N 1 0 646.676 7.584 1 0 KKAFRO O=C1c2c(-c3ccccc3Cl)cc(N3CCC([NH+]4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028135886 561906620 /nfs/dbraw/zinc/90/66/20/561906620.db2.gz ZLGNFBXLIAXOKD-UHFFFAOYSA-N 1 0 667.094 7.929 1 0 KKAFRO CCCC[NH2+]C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222540 561907565 /nfs/dbraw/zinc/90/75/65/561907565.db2.gz UNISMNODUPTQJC-LTUXWTGPSA-N 1 0 534.544 7.883 1 0 KKAFRO CCCC[NH2+]C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028225254 561907863 /nfs/dbraw/zinc/90/78/63/561907863.db2.gz HLHNQXBYEPZYBL-DNEWZETLSA-N 1 0 533.556 8.488 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CC[NH+](CCC4CCCC4)CC3)cc21 ZINC000028241285 561910461 /nfs/dbraw/zinc/91/04/61/561910461.db2.gz KCWCRYONKVKQQG-MDWZMJQESA-N 1 0 520.117 6.340 1 0 KKAFRO CC[N@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028331081 561912686 /nfs/dbraw/zinc/91/26/86/561912686.db2.gz YMARRYFQPATFSB-UHFFFAOYSA-N 1 0 508.824 7.930 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnnc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028330888 561912719 /nfs/dbraw/zinc/91/27/19/561912719.db2.gz GQAKZLNWAKJYFP-NIYFSFCBSA-N 1 0 513.469 5.121 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1F)C(C)C ZINC000028331886 561912778 /nfs/dbraw/zinc/91/27/78/561912778.db2.gz YKHUVGGKDQRUNT-YTTGMZPUSA-N 1 0 545.699 5.308 1 0 KKAFRO CN(C(=O)Cc1ccc(Br)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028336266 561913319 /nfs/dbraw/zinc/91/33/19/561913319.db2.gz RRXWHTHSPSWHTE-UHFFFAOYSA-N 1 0 505.500 6.137 1 0 KKAFRO CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028337881 561913630 /nfs/dbraw/zinc/91/36/30/561913630.db2.gz ZLEKVAHXZAYTIM-UHFFFAOYSA-N 1 0 502.702 7.041 1 0 KKAFRO CC(=O)c1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028337312 561913633 /nfs/dbraw/zinc/91/36/33/561913633.db2.gz OMADLRZDINRQSY-YTTGMZPUSA-N 1 0 555.719 5.443 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028340855 561913982 /nfs/dbraw/zinc/91/39/82/561913982.db2.gz RHBWUBIPEDYYLY-HHHXNRCGSA-N 1 0 523.674 5.361 1 0 KKAFRO COc1cccc(-n2c(=O)c3c(C[N@H+](C)Cc4ccccc4)c(-c4ccc(NC(=O)C(C)C)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028234290 561909503 /nfs/dbraw/zinc/90/95/03/561909503.db2.gz NCNKFVKUGBSINN-UHFFFAOYSA-N 1 0 694.804 7.443 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028237233 561909989 /nfs/dbraw/zinc/90/99/89/561909989.db2.gz XUDCIPKRXUWXDU-NTEUORMPSA-N 1 0 547.621 6.325 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(C2CCCCC2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238426 561910072 /nfs/dbraw/zinc/91/00/72/561910072.db2.gz QBBCUXWNGPGVPA-UHFFFAOYSA-N 1 0 615.746 7.364 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028238560 561910097 /nfs/dbraw/zinc/91/00/97/561910097.db2.gz VEKWSXMVPJSWQF-MAJWKWKESA-N 1 0 568.705 5.626 1 0 KKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000028349578 561915377 /nfs/dbraw/zinc/91/53/77/561915377.db2.gz UEWLORGTXJRWRQ-DQEYMECFSA-N 1 0 540.676 7.737 1 0 KKAFRO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578597 555451120 /nfs/dbraw/zinc/45/11/20/555451120.db2.gz OCSSPPVRIBPKRC-NBTVYNQOSA-N 1 0 542.120 5.871 2 0 KKAFRO O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028382483 561920407 /nfs/dbraw/zinc/92/04/07/561920407.db2.gz ZJSAQJKAZJAADM-UHFFFAOYSA-N 1 0 685.212 8.003 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC000028371502 561918462 /nfs/dbraw/zinc/91/84/62/561918462.db2.gz ISSMOFDSASESSU-WZQNMIHXSA-N 1 0 503.664 6.566 1 0 KKAFRO C[N@H+](Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374712 561918978 /nfs/dbraw/zinc/91/89/78/561918978.db2.gz JJBDKVDIKZJYDD-VSJLXWSYSA-N 1 0 636.240 5.063 1 0 KKAFRO O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028376387 561919224 /nfs/dbraw/zinc/91/92/24/561919224.db2.gz KMCBGZVIIVJGJV-MUUNZHRXSA-N 1 0 574.125 5.138 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3C4CCCC3CCC4)cc2)cc1 ZINC000028376926 561919408 /nfs/dbraw/zinc/91/94/08/561919408.db2.gz XKPFIOPKBVZILS-HAIKDGOVSA-N 1 0 503.664 6.851 1 0 KKAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000028383370 561920487 /nfs/dbraw/zinc/92/04/87/561920487.db2.gz GIDPWFFAZCUBJU-SFHVURJKSA-N 1 0 541.035 6.061 1 0 KKAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NC(C)(C)c3ccccc3)C(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000028378506 561919680 /nfs/dbraw/zinc/91/96/80/561919680.db2.gz PKSQVEFYOWEGDM-UHFFFAOYSA-N 1 0 728.854 5.757 1 0 KKAFRO O=C(CC[NH+]1CCCC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028383403 561920509 /nfs/dbraw/zinc/92/05/09/561920509.db2.gz APVQJOJADLTGKC-UHFFFAOYSA-N 1 0 510.965 5.720 1 0 KKAFRO Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1 ZINC000028383220 561920512 /nfs/dbraw/zinc/92/05/12/561920512.db2.gz WOOZSBMPDKKASI-VWLOTQADSA-N 1 0 544.627 5.444 1 0 KKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028383166 561920517 /nfs/dbraw/zinc/92/05/17/561920517.db2.gz JLGKVODNGIQLLA-UHFFFAOYSA-N 1 0 526.125 5.985 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(N(C)C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028385131 561920957 /nfs/dbraw/zinc/92/09/57/561920957.db2.gz XKQSIIXFVBAVEH-UHFFFAOYSA-N 1 0 504.631 5.252 1 0 KKAFRO C[NH+](C)C1CCN(CC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3O)cc2)CC1 ZINC000028387063 561921377 /nfs/dbraw/zinc/92/13/77/561921377.db2.gz BJGKPMBOOBWKQH-UHFFFAOYSA-N 1 0 631.120 6.689 1 0 KKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000028389558 561921942 /nfs/dbraw/zinc/92/19/42/561921942.db2.gz FSFFCZITRFQQNJ-UHFFFAOYSA-N 1 0 548.687 5.162 1 0 KKAFRO O=C(CCC[NH+]1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028389922 561922093 /nfs/dbraw/zinc/92/20/93/561922093.db2.gz ACSHIQDUJGNFPK-UHFFFAOYSA-N 1 0 602.078 7.539 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)N(C)C(=O)[C@@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455353 561923573 /nfs/dbraw/zinc/92/35/73/561923573.db2.gz VMDMREAZDDFEQM-QSSDJRQSSA-N 1 0 635.205 6.358 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3F)c2=O)cc1 ZINC000028458713 561924534 /nfs/dbraw/zinc/92/45/34/561924534.db2.gz VVEYOWIYYBHSQW-NFTQTCPJSA-N 1 0 607.151 5.625 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028458716 561924557 /nfs/dbraw/zinc/92/45/57/561924557.db2.gz WPMCUSYCPMBJCW-FXAGJUNHSA-N 1 0 607.151 5.625 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000028459971 561924879 /nfs/dbraw/zinc/92/48/79/561924879.db2.gz DGRIKUBKESWIOD-HKBQPEDESA-N 1 0 558.673 6.192 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]CCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028461219 561925273 /nfs/dbraw/zinc/92/52/73/561925273.db2.gz HZMVJLWFSIUIPU-PBBNMVCDSA-N 1 0 622.166 5.101 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(Cl)cc3)c2=O)cc1 ZINC000028462977 561925644 /nfs/dbraw/zinc/92/56/44/561925644.db2.gz ZXCREDPGYFXGPM-KSMSDSDGSA-N 1 0 637.633 6.530 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1 ZINC000028527449 561932588 /nfs/dbraw/zinc/93/25/88/561932588.db2.gz YCUBESUJZDJYCJ-XIFFEERXSA-N 1 0 605.845 6.310 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472628 561927259 /nfs/dbraw/zinc/92/72/59/561927259.db2.gz HXLPXRVFECQWCN-IBGZPJMESA-N 1 0 555.510 5.185 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028475937 561928127 /nfs/dbraw/zinc/92/81/27/561928127.db2.gz OPWBUFJRFSZXEP-MGBGTMOVSA-N 1 0 621.807 5.748 1 0 KKAFRO CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028476992 561928461 /nfs/dbraw/zinc/92/84/61/561928461.db2.gz VOVCAFWIQXNUIB-HHHXNRCGSA-N 1 0 603.616 5.782 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)N1CCCC1 ZINC000028520851 561929064 /nfs/dbraw/zinc/92/90/64/561929064.db2.gz VFJOTTZGMDRNPT-MUUNZHRXSA-N 1 0 614.643 5.453 1 0 KKAFRO CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028521397 561929249 /nfs/dbraw/zinc/92/92/49/561929249.db2.gz MTHZQNMVJGFKRT-AREMUKBSSA-N 1 0 589.589 5.393 1 0 KKAFRO Cc1cc(C)cc(NC(=O)NC[C@@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028521802 561929468 /nfs/dbraw/zinc/92/94/68/561929468.db2.gz DDHJYTODSBZYIU-YTTGMZPUSA-N 1 0 510.726 6.784 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000028523066 561929868 /nfs/dbraw/zinc/92/98/68/561929868.db2.gz RKKWLOOKZFPDMB-HKBQPEDESA-N 1 0 585.751 5.773 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523196 561929970 /nfs/dbraw/zinc/92/99/70/561929970.db2.gz QRUOSJZEFNEZHQ-UJCCJREASA-N 1 0 500.687 5.422 1 0 KKAFRO CCc1ccn2c(c1)ncc2C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930231 /nfs/dbraw/zinc/93/02/31/561930231.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 1 0 532.704 5.574 1 0 KKAFRO CCC[NH+](CCC)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528328 561932894 /nfs/dbraw/zinc/93/28/94/561932894.db2.gz KHNUKPJNDHSXDI-DFOKCWARSA-N 1 0 656.315 5.410 1 0 KKAFRO Cc1cc(NCC[NH+](C(C)C)C(C)C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570715 561939003 /nfs/dbraw/zinc/93/90/03/561939003.db2.gz BRLMAJCPKWNHCO-UHFFFAOYSA-N 1 0 518.580 5.990 1 0 KKAFRO CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000028571943 561939650 /nfs/dbraw/zinc/93/96/50/561939650.db2.gz RQXBPIGIJBKCME-VSGBNLITSA-N 1 0 535.132 5.493 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000028604035 561940431 /nfs/dbraw/zinc/94/04/31/561940431.db2.gz HJZUUBMOBXGRHG-UHFFFAOYSA-N 1 0 502.478 5.005 1 0 KKAFRO COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028636643 561941194 /nfs/dbraw/zinc/94/11/94/561941194.db2.gz LBFWGSLFWYAMGC-WJOKGBTCSA-N 1 0 589.744 5.610 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028638054 561941963 /nfs/dbraw/zinc/94/19/63/561941963.db2.gz IBMAZESEFQSFBW-UHFFFAOYSA-N 1 0 524.753 7.877 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCCCC[N@H+](C)CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639254 561942538 /nfs/dbraw/zinc/94/25/38/561942538.db2.gz YRYZTOKWYPCBPO-VHEBQXMUSA-N 1 0 673.844 6.984 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000028643403 561944103 /nfs/dbraw/zinc/94/41/03/561944103.db2.gz ZNEBNWIAFHHHDT-CLJLJLNGSA-N 1 0 556.128 5.278 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000028644581 561944374 /nfs/dbraw/zinc/94/43/74/561944374.db2.gz SYFRYRFSGBUDTO-JWQCQUIFSA-N 1 0 590.573 5.931 1 0 KKAFRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028644873 561944433 /nfs/dbraw/zinc/94/44/33/561944433.db2.gz WOFRNMWURPZWBM-KZWKGFQFSA-N 1 0 611.808 6.652 1 0 KKAFRO NC(=[NH2+])N[C@H](C(=O)NCCCCCCCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000028645066 561944590 /nfs/dbraw/zinc/94/45/90/561944590.db2.gz KRPWQHGCZYBYFD-NDEPHWFRSA-N 1 0 502.659 5.326 1 0 KKAFRO CC[NH+](CC)CCOc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OC)cc2)cc1 ZINC000028709289 561950647 /nfs/dbraw/zinc/95/06/47/561950647.db2.gz WIUKUUCUXDMLKU-UMSFTDKQSA-N 1 0 568.739 6.788 1 0 KKAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O ZINC000028701726 561946893 /nfs/dbraw/zinc/94/68/93/561946893.db2.gz HBLIGSJPLIFUFI-BZFILIQBSA-N 1 0 641.816 5.574 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702708 561947130 /nfs/dbraw/zinc/94/71/30/561947130.db2.gz OQHYZEOWQMXHCP-XMMPIXPASA-N 1 0 612.640 6.809 1 0 KKAFRO Nc1nc([C@@H](CC[NH+]2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702680 561947134 /nfs/dbraw/zinc/94/71/34/561947134.db2.gz MYYAWMQCERSIHA-OAQYLSRUSA-N 1 0 610.628 6.240 1 0 KKAFRO CNC(=O)Nc1nc([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702881 561947445 /nfs/dbraw/zinc/94/74/45/561947445.db2.gz YCGUWWLHDLAZTK-HSZRJFAPSA-N 1 0 651.677 6.783 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702900 561947507 /nfs/dbraw/zinc/94/75/07/561947507.db2.gz UXWASFWFYFPAIK-ITHCMUOMSA-N 1 0 726.787 8.459 1 0 KKAFRO CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704046 561948130 /nfs/dbraw/zinc/94/81/30/561948130.db2.gz AJPSXOQDVAYDLP-YDWZHMMXSA-N 1 0 582.654 7.301 1 0 KKAFRO CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704099 561948278 /nfs/dbraw/zinc/94/82/78/561948278.db2.gz MHJVDZLLZRONGX-YDWZHMMXSA-N 1 0 532.647 6.422 1 0 KKAFRO O=C(OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028704228 561948353 /nfs/dbraw/zinc/94/83/53/561948353.db2.gz HQRXYUWJSNZQRQ-RUZDIDTESA-N 1 0 546.133 5.327 1 0 KKAFRO CN1CC[NH+](CCCCOc2ccc(-c3cc(-c4ccccc4)c4c(n3)-c3ccccc3NC(=O)C4)cc2Cl)CC1 ZINC000028704156 561948427 /nfs/dbraw/zinc/94/84/27/561948427.db2.gz OVYOGLNLKLZBJP-UHFFFAOYSA-N 1 0 567.133 6.637 1 0 KKAFRO O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704291 561948518 /nfs/dbraw/zinc/94/85/18/561948518.db2.gz IVHBZRJJMFGLOA-VPUSJEBWSA-N 1 0 546.133 5.321 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704288 561948583 /nfs/dbraw/zinc/94/85/83/561948583.db2.gz MIKYSSMGUSODNP-PXJZQJOASA-N 1 0 568.139 5.625 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccc(OC)nc5)cc4)CC3)C2=O)c1 ZINC000028704498 561948652 /nfs/dbraw/zinc/94/86/52/561948652.db2.gz FIWUCUMYHZJORV-UHFFFAOYSA-N 1 0 580.660 5.909 1 0 KKAFRO Cc1cc(C)c(NCCNC(=O)[C@@H]2CC3(CCN(C(=O)[C@@H](CCCc4ccccc4)NC(=O)C(C)(C)[NH3+])CC3)c3ccccc32)c(C)c1 ZINC000028706014 561949261 /nfs/dbraw/zinc/94/92/61/561949261.db2.gz YZLWTDPGLBVVPQ-ZFEZZJPFSA-N 1 0 651.896 5.433 1 0 KKAFRO CC(=O)Nc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4cccc(NC(C)=O)c4)c3)ccn2)c1 ZINC000028707573 561950072 /nfs/dbraw/zinc/95/00/72/561950072.db2.gz HFVHDYXALWEPRI-MEKGRNQZSA-N 1 0 560.702 5.576 1 0 KKAFRO C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC[NH+](C)C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000028707782 561950213 /nfs/dbraw/zinc/95/02/13/561950213.db2.gz YPQSWVMYIBHMQU-LJQANCHMSA-N 1 0 556.560 5.117 1 0 KKAFRO Cc1ccc2nc(-c3ccc(OCCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1 ZINC000028711425 561951912 /nfs/dbraw/zinc/95/19/12/561951912.db2.gz YYWNRQZCPIMCAK-UHFFFAOYSA-N 1 0 509.481 6.598 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Cl)cc2s1 ZINC000028711696 561952307 /nfs/dbraw/zinc/95/23/07/561952307.db2.gz SADWOEDMAPRHRI-SSEXGKCCSA-N 1 0 665.300 5.580 1 0 KKAFRO CC[N@@H+]1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713635 561954068 /nfs/dbraw/zinc/95/40/68/561954068.db2.gz CIBAYWPDYJITNN-IBGZPJMESA-N 1 0 526.002 7.135 1 0 KKAFRO CC[N@H+](CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028766557 561959815 /nfs/dbraw/zinc/95/98/15/561959815.db2.gz NHPXDBZGHFXSRP-NDEPHWFRSA-N 1 0 525.730 6.869 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028771837 561961511 /nfs/dbraw/zinc/96/15/11/561961511.db2.gz OTXSDJOFSVUWCT-FZCXESBVSA-N 1 0 572.746 6.158 1 0 KKAFRO c1ccc(C(CC[NH+]2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816205 561964038 /nfs/dbraw/zinc/96/40/38/561964038.db2.gz QUMDLHSILZMXIA-COCZKOEFSA-N 1 0 638.852 8.823 1 0 KKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@H](c4ccccc4Cl)[C@@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816247 561964047 /nfs/dbraw/zinc/96/40/47/561964047.db2.gz ONCHPBKAGOWLIQ-VSGBNLITSA-N 1 0 527.492 6.538 1 0 KKAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000028818486 561965227 /nfs/dbraw/zinc/96/52/27/561965227.db2.gz INEACRKPYDPVAY-ZEQRLZLVSA-N 1 0 568.187 6.120 1 0 KKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC[NH+]4CCC4)ccn32)n1)c1ccccc1 ZINC000028822155 561966718 /nfs/dbraw/zinc/96/67/18/561966718.db2.gz KRJQPVKMGUTYTM-QHCPKHFHSA-N 1 0 535.671 5.908 1 0 KKAFRO Cc1c(C[N@H+](C)C[C@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822508 561967099 /nfs/dbraw/zinc/96/70/99/561967099.db2.gz AUXILGDQTCBBEA-DEOSSOPVSA-N 1 0 549.096 5.139 1 0 KKAFRO Cc1c(C[N@H+](C)C[C@@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822507 561967181 /nfs/dbraw/zinc/96/71/81/561967181.db2.gz AUXILGDQTCBBEA-XMMPIXPASA-N 1 0 549.096 5.139 1 0 KKAFRO Cc1nc2ccc(CC[NH2+]C[C@@H](C)c3c4c([nH]c3-c3cc(C)cc(C)c3)CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)C4)cc2[nH]1 ZINC000028823038 561967678 /nfs/dbraw/zinc/96/76/78/561967678.db2.gz JDPYVJZHURCBGX-HSZRJFAPSA-N 1 0 645.745 7.704 1 0 KKAFRO CCCCN(CCCC)C(=O)c1ccc2nc(Nc3cc(OC)c(OC)c(OC)c3)n(CCC[NH3+])c2c1 ZINC000028823349 561967969 /nfs/dbraw/zinc/96/79/69/561967969.db2.gz XSNJFUJYXXEUEX-UHFFFAOYSA-N 1 0 511.667 5.197 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccccc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823426 561968069 /nfs/dbraw/zinc/96/80/69/561968069.db2.gz QGVHTHKTHDECNA-UHFFFAOYSA-N 1 0 531.789 7.059 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CC[NH+](C)C)c1 ZINC000028823932 561968784 /nfs/dbraw/zinc/96/87/84/561968784.db2.gz OLLQZYNQBYGVCQ-IGYGKHONSA-N 1 0 644.688 5.339 1 0 KKAFRO COC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824382 561969536 /nfs/dbraw/zinc/96/95/36/561969536.db2.gz WGUZZROGPWEHAR-DEOSSOPVSA-N 1 0 658.718 5.854 1 0 KKAFRO COC(=O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824802 561970003 /nfs/dbraw/zinc/97/00/03/561970003.db2.gz WPVHSRPUAPKWSP-HDJDAXJMSA-N 1 0 539.598 5.258 1 0 KKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 ZINC000028825236 561970536 /nfs/dbraw/zinc/97/05/36/561970536.db2.gz LNCSKIVFDGRAQA-MGBGTMOVSA-N 1 0 652.905 6.305 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc43)CC2)CC1 ZINC000028826066 561971094 /nfs/dbraw/zinc/97/10/94/561971094.db2.gz GLXIDQAFNJQBTM-UHFFFAOYSA-N 1 0 626.285 8.936 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2c3ccccc3CN2C(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)cc1 ZINC000028827052 561971488 /nfs/dbraw/zinc/97/14/88/561971488.db2.gz PSUKRKRXCDLYAY-YBZKQSBQSA-N 1 0 727.755 6.719 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827042 561971517 /nfs/dbraw/zinc/97/15/17/561971517.db2.gz WGVTXAVYDDKERH-CQTOTRCISA-N 1 0 613.651 6.803 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](CC(F)(F)F)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028827226 561971605 /nfs/dbraw/zinc/97/16/05/561971605.db2.gz OSXBZLBBJZHPPI-LADGPHEKSA-N 1 0 592.124 5.824 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879635 561976445 /nfs/dbraw/zinc/97/64/45/561976445.db2.gz HFCBNESMBVZUHP-FQLXRVMXSA-N 1 0 622.178 6.522 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@H](NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869455 561973795 /nfs/dbraw/zinc/97/37/95/561973795.db2.gz DPODTSKCKFJAHM-HHHXNRCGSA-N 1 0 564.604 5.331 1 0 KKAFRO O=C(NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 ZINC000028869772 561973812 /nfs/dbraw/zinc/97/38/12/561973812.db2.gz PKGJBHXJYDGBET-LJAQVGFWSA-N 1 0 518.126 6.472 1 0 KKAFRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869727 561973835 /nfs/dbraw/zinc/97/38/35/561973835.db2.gz UPEDKGWAXYKNLY-NDEPHWFRSA-N 1 0 502.058 5.514 1 0 KKAFRO C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000028879560 561976487 /nfs/dbraw/zinc/97/64/87/561976487.db2.gz UTHMUINLECVICV-JHFSOIRNSA-N 1 0 550.096 5.115 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000028879507 561976491 /nfs/dbraw/zinc/97/64/91/561976491.db2.gz HSJXMFJMCVMAKI-NSOVKSMOSA-N 1 0 640.168 6.628 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(CCN(Cc3ccc(-c4ccccc4)cc3)C(=O)NC(C)(C)CO)CC2)cc1 ZINC000028874519 561975244 /nfs/dbraw/zinc/97/52/44/561975244.db2.gz DXTFGJMQKYMFGQ-UHFFFAOYSA-N 1 0 513.726 6.247 1 0 KKAFRO O=C(OC[C@@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879018 561976137 /nfs/dbraw/zinc/97/61/37/561976137.db2.gz SAJYZUZYZMJMOG-XCZPVHLTSA-N 1 0 578.150 5.851 1 0 KKAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887279 561977792 /nfs/dbraw/zinc/97/77/92/561977792.db2.gz JKTKBFQTDDXWEE-VWLOTQADSA-N 1 0 611.530 5.079 1 0 KKAFRO CC[C@H](C)C[C@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887406 561977816 /nfs/dbraw/zinc/97/78/16/561977816.db2.gz LOUSLMDIWLUSPD-FKAPRUDGSA-N 1 0 623.669 8.811 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887466 561977917 /nfs/dbraw/zinc/97/79/17/561977917.db2.gz UORKWHJWWONHKB-XMMPIXPASA-N 1 0 514.689 6.781 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887471 561977932 /nfs/dbraw/zinc/97/79/32/561977932.db2.gz UORKWHJWWONHKB-DEOSSOPVSA-N 1 0 514.689 6.781 1 0 KKAFRO CN(C)C(=O)C[NH+]1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 ZINC000028889686 561978054 /nfs/dbraw/zinc/97/80/54/561978054.db2.gz UFNQEGHYWQYWSB-UHFFFAOYSA-N 1 0 602.179 5.428 1 0 KKAFRO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCN(CC(F)(F)F)CC1 ZINC000028889701 561978189 /nfs/dbraw/zinc/97/81/89/561978189.db2.gz RSDYGTXGQLVPFB-FNZWTVRRSA-N 1 0 603.060 6.508 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cccc(OCC[NH+]3CCCCC3)c21 ZINC000028892249 561978295 /nfs/dbraw/zinc/97/82/95/561978295.db2.gz RFQUPEWTNAMUKD-XMMPIXPASA-N 1 0 525.693 6.085 1 0 KKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1[C@H](C)NC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000028892343 561978324 /nfs/dbraw/zinc/97/83/24/561978324.db2.gz GEKOXTKXWRGFMQ-LJAQVGFWSA-N 1 0 640.828 8.137 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ns3)CC1)=CC2 ZINC000028957202 561983187 /nfs/dbraw/zinc/98/31/87/561983187.db2.gz TZRGGOZFUMLKLA-JXFKEZNVSA-N 1 0 530.582 7.111 1 0 KKAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(CC[NH+]4CCCC4)C(C)C)cc3)nc12 ZINC000028957661 561983240 /nfs/dbraw/zinc/98/32/40/561983240.db2.gz KDTFQAJYJIGSFS-UHFFFAOYSA-N 1 0 581.142 5.598 1 0 KKAFRO CCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1 ZINC000028957655 561983266 /nfs/dbraw/zinc/98/32/66/561983266.db2.gz BGKZQFXBRTXGLE-UHFFFAOYSA-N 1 0 567.115 5.209 1 0 KKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCC[N@@H+]4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960889 561984116 /nfs/dbraw/zinc/98/41/16/561984116.db2.gz XOWKMVCDZXOXHR-OAQYLSRUSA-N 1 0 523.464 6.459 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(OCC(=O)N3CCOCC3)CC2)c1 ZINC000028961730 561984389 /nfs/dbraw/zinc/98/43/89/561984389.db2.gz MYSZXEOULDVMAC-UHFFFAOYSA-N 1 0 646.898 5.827 1 0 KKAFRO C[NH2+]CC1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1Cl)c1ccccc1C2 ZINC000028962438 561984564 /nfs/dbraw/zinc/98/45/64/561984564.db2.gz SZTDJVOSYSXAKM-WJOKGBTCSA-N 1 0 532.059 6.559 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967527 561985221 /nfs/dbraw/zinc/98/52/21/561985221.db2.gz AVNRQNCIDFQTAS-RUZDIDTESA-N 1 0 512.679 5.973 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967532 561985245 /nfs/dbraw/zinc/98/52/45/561985245.db2.gz AVNRQNCIDFQTAS-VWLOTQADSA-N 1 0 512.679 5.973 1 0 KKAFRO CC(C)C(=O)Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1 ZINC000028967770 561985343 /nfs/dbraw/zinc/98/53/43/561985343.db2.gz JINILTRBRUIBFE-PKTZIBPZSA-N 1 0 500.668 6.331 1 0 KKAFRO COc1ccc(OC)c(C(=O)Nc2nc3ccc(C(=O)NCC[NH2+]Cc4ccc5ccccc5c4)cc3s2)c1 ZINC000028967707 561985345 /nfs/dbraw/zinc/98/53/45/561985345.db2.gz ZDQDVTJDANMHRR-UHFFFAOYSA-N 1 0 540.645 5.239 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH2+]Cc4ccc(-c5ccccc5)cc4)C3)cc2s1)C1CCCC1 ZINC000028967730 561985400 /nfs/dbraw/zinc/98/54/00/561985400.db2.gz MSWJDHFLZNZLJE-KAYWLYCHSA-N 1 0 552.744 7.379 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975210 561986499 /nfs/dbraw/zinc/98/64/99/561986499.db2.gz HUEIIQRYVMJFKL-WPFOTENUSA-N 1 0 573.735 5.105 1 0 KKAFRO COc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1 ZINC000029037192 561988427 /nfs/dbraw/zinc/98/84/27/561988427.db2.gz VOHKPPOYXDJURU-UHFFFAOYSA-N 1 0 554.658 5.927 1 0 KKAFRO CNc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1 ZINC000029037198 561988434 /nfs/dbraw/zinc/98/84/34/561988434.db2.gz BGRGYPWSRFVWGD-UHFFFAOYSA-N 1 0 553.674 5.960 1 0 KKAFRO CCNC(=O)NC1CC[NH+](Cc2ccc(-c3nc4nc(SC)ncc4cc3-c3ccccc3)cc2)CC1 ZINC000028980051 561988456 /nfs/dbraw/zinc/98/84/56/561988456.db2.gz HOMHJTJWACGWMP-UHFFFAOYSA-N 1 0 512.683 5.364 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(N)s5)CC4)cc3)nc2n1 ZINC000029037179 561988461 /nfs/dbraw/zinc/98/84/61/561988461.db2.gz BVMOTFUJGCIPKD-UHFFFAOYSA-N 1 0 525.707 5.894 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1 ZINC000029037187 561988469 /nfs/dbraw/zinc/98/84/69/561988469.db2.gz JTBJVILIKCZILP-UHFFFAOYSA-N 1 0 570.726 6.640 1 0 KKAFRO O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(F)cc1 ZINC000029038630 561989142 /nfs/dbraw/zinc/98/91/42/561989142.db2.gz ZBUMCITULAAXBQ-SANMLTNESA-N 1 0 500.643 5.217 1 0 KKAFRO O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(Cl)cc1 ZINC000029038625 561989178 /nfs/dbraw/zinc/98/91/78/561989178.db2.gz PHDDUIXSXSRRQU-SANMLTNESA-N 1 0 517.098 5.732 1 0 KKAFRO O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(Cl)cc1 ZINC000029038623 561989210 /nfs/dbraw/zinc/98/92/10/561989210.db2.gz PHDDUIXSXSRRQU-AREMUKBSSA-N 1 0 517.098 5.732 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000029039278 561989648 /nfs/dbraw/zinc/98/96/48/561989648.db2.gz KVAFVQVUSUWETG-QHCPKHFHSA-N 1 0 510.044 6.322 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039340 561989736 /nfs/dbraw/zinc/98/97/36/561989736.db2.gz SQWVOXOCDCWIEB-FIXSFTCYSA-N 1 0 538.010 5.010 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040075 561990373 /nfs/dbraw/zinc/99/03/73/561990373.db2.gz XLRKVUXIKLTNKO-XECDKEEKSA-N 1 0 550.587 7.063 1 0 KKAFRO CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cncnc3)CC2)C1 ZINC000029041146 561990934 /nfs/dbraw/zinc/99/09/34/561990934.db2.gz YIQYJBKGDDWABP-RCZVLFRGSA-N 1 0 558.567 5.320 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000029042928 561991781 /nfs/dbraw/zinc/99/17/81/561991781.db2.gz BKPWIYNAJFNIBS-CEUYOYMZSA-N 1 0 574.209 7.301 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029043184 561991895 /nfs/dbraw/zinc/99/18/95/561991895.db2.gz JOPLEQJQVLGYIT-XQFUHLNNSA-N 1 0 610.136 7.305 1 0 KKAFRO O=C(/C=C/c1cccc(Br)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045435 561992485 /nfs/dbraw/zinc/99/24/85/561992485.db2.gz RNDDGSPVPFHWQM-BFBXESIISA-N 1 0 536.514 5.423 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045733 561992607 /nfs/dbraw/zinc/99/26/07/561992607.db2.gz KXZARDUIYCLEFF-BLRKDVCKSA-N 1 0 511.588 5.078 1 0 KKAFRO CC[C@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)[NH2+]C1CCCC1 ZINC000029045987 561992748 /nfs/dbraw/zinc/99/27/48/561992748.db2.gz WTOKBVWULGQFCD-GOSISDBHSA-N 1 0 565.583 5.650 1 0 KKAFRO O=C(Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029046273 561992828 /nfs/dbraw/zinc/99/28/28/561992828.db2.gz WECNWUSUXVLYLK-PGUFJCEWSA-N 1 0 624.692 5.823 1 0 KKAFRO c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000029049093 561993822 /nfs/dbraw/zinc/99/38/22/561993822.db2.gz VNYUGMZLAKLKAX-UHFFFAOYSA-N 1 0 523.644 6.524 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4csc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062377 561996050 /nfs/dbraw/zinc/99/60/50/561996050.db2.gz SFTBDBTVPUYAQX-LJAQVGFWSA-N 1 0 548.753 6.064 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cccnc4)c3=O)CC2)C(C)C)c1 ZINC000029064234 561996283 /nfs/dbraw/zinc/99/62/83/561996283.db2.gz DZBPCCBNAIHNNJ-SSEXGKCCSA-N 1 0 528.697 5.694 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cnccn4)c3=O)CC2)C(C)C)c1 ZINC000029064069 561996294 /nfs/dbraw/zinc/99/62/94/561996294.db2.gz IVZMHEWNZZMPTO-GDLZYMKVSA-N 1 0 529.685 5.089 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125702 561997924 /nfs/dbraw/zinc/99/79/24/561997924.db2.gz QMWBUFQWRWCLHE-UHFFFAOYSA-N 1 0 571.714 6.076 1 0 KKAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ncco2)cc(-c2ncco2)c1 ZINC000029129116 562001568 /nfs/dbraw/zinc/00/15/68/562001568.db2.gz WGYRDHMVDDVNRZ-BNIKKZEQSA-N 1 0 533.604 5.309 1 0 KKAFRO CCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126760 561998922 /nfs/dbraw/zinc/99/89/22/561998922.db2.gz VURVNYUMSCKMDC-UHFFFAOYSA-N 1 0 512.683 5.625 1 0 KKAFRO Cc1cc(-c2nc3c(ccc4c3CC[N@H+](CCCSc3nnc(-c5cccc6nc(C)ccc65)n3C)CC4)o2)n(C)n1 ZINC000029126916 561999159 /nfs/dbraw/zinc/99/91/59/561999159.db2.gz NZPLLWYDJFVQEH-UHFFFAOYSA-N 1 0 578.746 5.772 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126990 561999174 /nfs/dbraw/zinc/99/91/74/561999174.db2.gz ILAPINSYTQOSTH-SFHVURJKSA-N 1 0 580.680 6.779 1 0 KKAFRO CCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127230 561999645 /nfs/dbraw/zinc/99/96/45/561999645.db2.gz QRWDBCPLADXSGV-UHFFFAOYSA-N 1 0 515.605 5.788 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4nc5cc(C(F)(F)F)ccn5c4CC3)n2C)n1 ZINC000029127317 561999842 /nfs/dbraw/zinc/99/98/42/561999842.db2.gz QWMBVXDLQBRGEQ-UHFFFAOYSA-N 1 0 551.642 5.588 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128088 562000597 /nfs/dbraw/zinc/00/05/97/562000597.db2.gz MGGAVHMSVGABJH-WTKACWAISA-N 1 0 515.591 6.953 1 0 KKAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nccs2)cc(-c2nccs2)c1 ZINC000029129507 562001904 /nfs/dbraw/zinc/00/19/04/562001904.db2.gz KDBCNKHHBUKNRH-BNIKKZEQSA-N 1 0 565.740 6.246 1 0 KKAFRO Cc1cc(-c2cc(OC(=O)c3ccc(CN4CCOCC4)cc3)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135672 562004453 /nfs/dbraw/zinc/00/44/53/562004453.db2.gz SMACWNIQVWKMBX-UHFFFAOYSA-N 1 0 679.221 6.923 1 0 KKAFRO COc1ccc(CC[NH2+]CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000029220223 562007068 /nfs/dbraw/zinc/00/70/68/562007068.db2.gz MTTBNIDCEUMFGD-UHFFFAOYSA-N 1 0 537.678 6.007 1 0 KKAFRO COc1ccc2c(c1)C[C@@H](Sc1ccc(OCC[NH+]3CCCCC3)cc1)[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000029312853 562012154 /nfs/dbraw/zinc/01/21/54/562012154.db2.gz MIEOUGAGNUPXNU-MMKLJALJSA-N 1 0 521.767 6.548 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 ZINC000029334325 562014107 /nfs/dbraw/zinc/01/41/07/562014107.db2.gz QJYUYVCROMLJRH-NDEPHWFRSA-N 1 0 576.625 5.348 1 0 KKAFRO COc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338552 562014770 /nfs/dbraw/zinc/01/47/70/562014770.db2.gz UZAQLUSKGDVMCF-RUZDIDTESA-N 1 0 546.520 6.475 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000029404441 562020452 /nfs/dbraw/zinc/02/04/52/562020452.db2.gz CIJBLVOZDMZNJK-YDSCLTKRSA-N 1 0 517.629 5.481 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000029411836 562021909 /nfs/dbraw/zinc/02/19/09/562021909.db2.gz BIMJVPXBEXJSPH-YTTGMZPUSA-N 1 0 546.759 7.233 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccccc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029417512 562023250 /nfs/dbraw/zinc/02/32/50/562023250.db2.gz DLJDKEONMYMAPN-QFIPXVFZSA-N 1 0 545.083 7.433 1 0 KKAFRO CCN(CC)C(=O)[C@@H](C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417464 562023262 /nfs/dbraw/zinc/02/32/62/562023262.db2.gz YQEYJULPTBJTTD-MHZLTWQESA-N 1 0 616.872 6.950 1 0 KKAFRO CCOC(=O)[C@H](C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417474 562023265 /nfs/dbraw/zinc/02/32/65/562023265.db2.gz SDKYLZYCEWRREX-RUZDIDTESA-N 1 0 589.802 6.645 1 0 KKAFRO CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000029480718 562027250 /nfs/dbraw/zinc/02/72/50/562027250.db2.gz LTWFJGXDTKTBLB-BCRBLDSWSA-N 1 0 626.886 6.030 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029464990 562024076 /nfs/dbraw/zinc/02/40/76/562024076.db2.gz UQMILXFLXOSGFZ-SVBPBHIXSA-N 1 0 614.856 6.991 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465568 562024299 /nfs/dbraw/zinc/02/42/99/562024299.db2.gz HNKINIUXSPUALZ-UHFFFAOYSA-N 1 0 536.764 6.902 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@@H]3CCC(=O)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029466083 562024399 /nfs/dbraw/zinc/02/43/99/562024399.db2.gz HFXUYZQVCSUBMO-MIGAKDOKSA-N 1 0 610.639 7.200 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1)C(C)C ZINC000029466292 562024419 /nfs/dbraw/zinc/02/44/19/562024419.db2.gz FYXJSQODWMKBFP-UHFFFAOYSA-N 1 0 510.726 6.872 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000029467369 562024740 /nfs/dbraw/zinc/02/47/40/562024740.db2.gz ANPDXXWCXYXWBT-UHFFFAOYSA-N 1 0 667.295 5.278 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1)C1CCCCC1 ZINC000029467679 562024835 /nfs/dbraw/zinc/02/48/35/562024835.db2.gz VTPFXLXIVOMHJI-UHFFFAOYSA-N 1 0 550.791 7.797 1 0 KKAFRO CCCCN(CCCC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1 ZINC000029467933 562024869 /nfs/dbraw/zinc/02/48/69/562024869.db2.gz HKSACTHMCIPFRN-UHFFFAOYSA-N 1 0 552.807 8.044 1 0 KKAFRO CCCCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029468209 562024933 /nfs/dbraw/zinc/02/49/33/562024933.db2.gz XWGKDMIXUKXHEY-UHFFFAOYSA-N 1 0 616.872 7.240 1 0 KKAFRO CC(C)c1ccc(N2CNC(=O)C23CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC3)cc1 ZINC000029477420 562026664 /nfs/dbraw/zinc/02/66/64/562026664.db2.gz ANAAXKMZILVPRT-UHFFFAOYSA-N 1 0 518.652 6.045 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@H+](C)CC1CCCCC1 ZINC000029482239 562027493 /nfs/dbraw/zinc/02/74/93/562027493.db2.gz OYXVGBLHSLYWBP-LQJZCPKCSA-N 1 0 561.811 6.232 1 0 KKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(COc3cccc(C(F)(F)F)c3)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029483499 562027884 /nfs/dbraw/zinc/02/78/84/562027884.db2.gz BEQQTZVFTYCFLV-GOSISDBHSA-N 1 0 593.568 8.192 1 0 KKAFRO CCOC(=O)N1CC[NH+](CCCCCC(=O)N[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)CC1 ZINC000029486043 562028335 /nfs/dbraw/zinc/02/83/35/562028335.db2.gz GWDSOXJOOIZXIW-SSEXGKCCSA-N 1 0 593.813 6.247 1 0 KKAFRO CC(C)CCC(=O)OCOC(=O)C1(C(=O)OCOC(=O)CCC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029560603 562033067 /nfs/dbraw/zinc/03/30/67/562033067.db2.gz HYLIYAIRWFDNMS-KCWPFWIISA-N 1 0 678.175 5.022 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029549751 562030713 /nfs/dbraw/zinc/03/07/13/562030713.db2.gz BBSPBBGTHVFTAX-PMERELPUSA-N 1 0 566.720 5.692 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551362 562031004 /nfs/dbraw/zinc/03/10/04/562031004.db2.gz CLUUKANTNNYMBZ-HKBQPEDESA-N 1 0 580.747 5.864 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCCOc2ccc(OC)cc2[C@@H]2Sc3ccccc3N(C)C2=O)cc1 ZINC000029551386 562031069 /nfs/dbraw/zinc/03/10/69/562031069.db2.gz OUOAHKBNSMBARV-LJAQVGFWSA-N 1 0 536.694 5.683 1 0 KKAFRO CNC(=O)Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029561156 562033243 /nfs/dbraw/zinc/03/32/43/562033243.db2.gz AEUYUCUVFNNAHV-UHFFFAOYSA-N 1 0 501.606 5.061 1 0 KKAFRO O=C(CCC[N@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)N(c1ccccc1)C1CCCCC1 ZINC000029555109 562031907 /nfs/dbraw/zinc/03/19/07/562031907.db2.gz ZTTWBAJERSGUBJ-BHYZAODMSA-N 1 0 529.675 7.421 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2CN(C)c3ccccc3S2)c1 ZINC000029559537 562032838 /nfs/dbraw/zinc/03/28/38/562032838.db2.gz YRKXDSQFNDBXPZ-LJAQVGFWSA-N 1 0 522.667 5.487 1 0 KKAFRO CN(C)C(=O)C(CC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029561760 562033459 /nfs/dbraw/zinc/03/34/59/562033459.db2.gz IDVZJRFQKTZGPN-UHFFFAOYSA-N 1 0 571.769 6.426 1 0 KKAFRO O=C(OCc1ccccc1)Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562635 562033535 /nfs/dbraw/zinc/03/35/35/562033535.db2.gz SPTWJKJTLZNWPT-UHFFFAOYSA-N 1 0 578.688 7.058 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCc1cccs1)(C(=O)OCCc1cccs1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563572 562033785 /nfs/dbraw/zinc/03/37/85/562033785.db2.gz KSZWYINMRMPIJQ-ZBLYBZFDSA-N 1 0 642.195 5.757 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Br)cc4)nc3n2)CC1 ZINC000029564185 562034043 /nfs/dbraw/zinc/03/40/43/562034043.db2.gz NCBRFZSXMXIOAD-UHFFFAOYSA-N 1 0 644.405 6.455 1 0 KKAFRO CC(=O)NCCC1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029566229 562034470 /nfs/dbraw/zinc/03/44/70/562034470.db2.gz GBOCBIASBIMNAJ-XMMPIXPASA-N 1 0 504.502 5.478 1 0 KKAFRO O=C(Cc1ccccc1)Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566162 562034476 /nfs/dbraw/zinc/03/44/76/562034476.db2.gz QOFIYPMRPCNFLK-UHFFFAOYSA-N 1 0 562.689 6.491 1 0 KKAFRO CC(C)c1ccc(OP(=O)(Oc2ccc(C(C)C)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633588 562039401 /nfs/dbraw/zinc/03/94/01/562039401.db2.gz QBCVNXNNSIULEF-YTTGMZPUSA-N 1 0 614.683 8.515 1 0 KKAFRO Cc1ccc(-c2nn(CCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801020 562041096 /nfs/dbraw/zinc/04/10/96/562041096.db2.gz HMCSQQRQWHXSFU-UHFFFAOYSA-N 1 0 520.599 5.993 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801017 562041147 /nfs/dbraw/zinc/04/11/47/562041147.db2.gz VEHMQZMSSPFGRO-UHFFFAOYSA-N 1 0 524.709 6.153 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccccn3)nc2)cc1 ZINC000034802914 562042234 /nfs/dbraw/zinc/04/22/34/562042234.db2.gz KAKKSKBNYKULAA-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(CC(=O)NCc4ccccc4)cc3)cc2)cc1 ZINC000034802872 562042240 /nfs/dbraw/zinc/04/22/40/562042240.db2.gz NNGQIBLFBRAJNF-UHFFFAOYSA-N 1 0 659.959 9.490 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccccc3)nc2)cc1 ZINC000034802976 562042281 /nfs/dbraw/zinc/04/22/81/562042281.db2.gz GUZCOKRWMLZMDA-UHFFFAOYSA-N 1 0 513.770 8.026 1 0 KKAFRO CC(C)(Cc1cc[nH]c1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803805 562042666 /nfs/dbraw/zinc/04/26/66/562042666.db2.gz KKIXJJBSHVMTCC-NGQVCNFZSA-N 1 0 519.649 5.811 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3c(n2)N2CCC(=O)N2C(c2c(Cl)cccc2Cl)=C3)cc1 ZINC000034804562 562043151 /nfs/dbraw/zinc/04/31/51/562043151.db2.gz TYCSETQHBQUZAZ-UHFFFAOYSA-N 1 0 539.467 5.713 1 0 KKAFRO CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4OC4CC[NH+](C)CC4)ccc3C)ccc2n1 ZINC000034804570 562043176 /nfs/dbraw/zinc/04/31/76/562043176.db2.gz DGUSFVFTIHATAT-UHFFFAOYSA-N 1 0 549.597 6.391 1 0 KKAFRO CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804835 562043510 /nfs/dbraw/zinc/04/35/10/562043510.db2.gz DKBCAGVQZAJUSZ-UHFFFAOYSA-N 1 0 639.719 6.142 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc(OC)cc1 ZINC000034961414 562044202 /nfs/dbraw/zinc/04/42/02/562044202.db2.gz MJJIHQACZGUMQB-BKMJKUGQSA-N 1 0 521.698 6.805 3 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000036177573 562049478 /nfs/dbraw/zinc/04/94/78/562049478.db2.gz UTKYLEFNOKDKOE-UXBLZVDNSA-N 1 0 555.909 6.325 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177567 562049489 /nfs/dbraw/zinc/04/94/89/562049489.db2.gz BTFGNGJNZBBAMN-WEVVVXLNSA-N 1 0 557.349 6.951 1 0 KKAFRO COCCCOc1cc(CN(C[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000035802985 562045340 /nfs/dbraw/zinc/04/53/40/562045340.db2.gz WKIAMHCWMIABDD-FTJBHMTQSA-N 1 0 509.090 5.849 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1Cc1cccnc1 ZINC000035975122 562045987 /nfs/dbraw/zinc/04/59/87/562045987.db2.gz MINVVCXPGANHIA-AREMUKBSSA-N 1 0 511.592 5.272 1 0 KKAFRO CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)[NH2+]C[C@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080060 562046149 /nfs/dbraw/zinc/04/61/49/562046149.db2.gz RUCJIIMIRGBHTE-DHLKQENFSA-N 1 0 578.157 5.944 1 0 KKAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000036284834 562053521 /nfs/dbraw/zinc/05/35/21/562053521.db2.gz DOYFFOORPOMQKB-YYFXGUOYSA-N 1 0 633.321 7.248 1 0 KKAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H](C[NH2+]C2CCC2)CC2CCCCC2)CC1 ZINC000036284916 562053619 /nfs/dbraw/zinc/05/36/19/562053619.db2.gz QDOQJKGCPCRRMX-VDCPHJTRSA-N 1 0 620.282 5.420 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285423 562054098 /nfs/dbraw/zinc/05/40/98/562054098.db2.gz DISYLWQACBWOEF-FYSMJZIKSA-N 1 0 516.435 6.340 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285574 562054216 /nfs/dbraw/zinc/05/42/16/562054216.db2.gz LPHQBJBSTAQIHO-DEOSSOPVSA-N 1 0 587.514 5.846 1 0 KKAFRO CC[C@H](C)C[NH2+][C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)[C@@H](C)CC ZINC000036285625 562054317 /nfs/dbraw/zinc/05/43/17/562054317.db2.gz AUHYYKPUZBCSPT-WURXVLGASA-N 1 0 586.570 8.017 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2ncn([C@@H](C)c3ccccc3)c2c(Br)c1 ZINC000036330287 562055489 /nfs/dbraw/zinc/05/54/89/562055489.db2.gz DQNOTYWXDWEBPE-LBPRGKRZSA-N 1 0 535.514 5.308 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2ncn(Cc3c(F)cccc3F)c2c(Br)c1 ZINC000036330272 562055496 /nfs/dbraw/zinc/05/54/96/562055496.db2.gz WRKFVHFGUFHTOF-UHFFFAOYSA-N 1 0 557.467 5.026 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccccc1 ZINC000036338419 562056970 /nfs/dbraw/zinc/05/69/70/562056970.db2.gz SDHHOFBLTRTNNH-RSXGOPAZSA-N 1 0 516.605 5.248 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036338894 562057592 /nfs/dbraw/zinc/05/75/92/562057592.db2.gz LWAMOKCDAHOWOM-UHFFFAOYSA-N 1 0 581.573 6.428 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c(OC)c1 ZINC000036349229 562057862 /nfs/dbraw/zinc/05/78/62/562057862.db2.gz ROMYLFSTEDMJGG-SSEXGKCCSA-N 1 0 605.743 5.229 1 0 KKAFRO COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c1 ZINC000036349244 562057994 /nfs/dbraw/zinc/05/79/94/562057994.db2.gz HPRDHALQPIXBSW-WJOKGBTCSA-N 1 0 589.744 5.610 1 0 KKAFRO COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c1 ZINC000036349242 562057998 /nfs/dbraw/zinc/05/79/98/562057998.db2.gz IFOQRGBXSMPXLY-SSEXGKCCSA-N 1 0 575.717 5.220 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000036351479 562058319 /nfs/dbraw/zinc/05/83/19/562058319.db2.gz DPIMUOJRFNNAHL-KYJUHHDHSA-N 1 0 584.727 6.615 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCC5)c4)C[C@H]23)CC1 ZINC000036351580 562058708 /nfs/dbraw/zinc/05/87/08/562058708.db2.gz LDHLGMYURVJXRN-WWKQIGMOSA-N 1 0 540.127 5.281 1 0 KKAFRO CCNC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351561 562058717 /nfs/dbraw/zinc/05/87/17/562058717.db2.gz KMOGXAHQBLWLAE-UCVANPEUSA-N 1 0 571.141 5.212 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351650 562058802 /nfs/dbraw/zinc/05/88/02/562058802.db2.gz CUWOXHKJMDGMKB-MGBGTMOVSA-N 1 0 630.582 8.872 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC000036351612 562058850 /nfs/dbraw/zinc/05/88/50/562058850.db2.gz HJONUQJNSLJIMX-FTJBHMTQSA-N 1 0 528.619 5.103 1 0 KKAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]CCCC5CCCCC5)C4)C3)s2)c(C)c1 ZINC000036351709 562058958 /nfs/dbraw/zinc/05/89/58/562058958.db2.gz PLKVEFSFRBCFIF-FTJBHMTQSA-N 1 0 566.812 6.023 1 0 KKAFRO C[NH+]1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351764 562059220 /nfs/dbraw/zinc/05/92/20/562059220.db2.gz KTSMKIKRRIOEJN-QFWOEDSFSA-N 1 0 540.539 5.637 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]C3CCC(C)(C)CC3)C2)C1 ZINC000036351795 562059223 /nfs/dbraw/zinc/05/92/23/562059223.db2.gz YCJKVWJHVBFZPH-RPWUZVMVSA-N 1 0 560.661 5.864 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000036378315 562059652 /nfs/dbraw/zinc/05/96/52/562059652.db2.gz PODNXBRQMKYVOI-URXFXBBRSA-N 1 0 535.681 6.526 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000038146583 562065190 /nfs/dbraw/zinc/06/51/90/562065190.db2.gz DIIOKAPUKRNPAJ-HOFKKMOUSA-N 1 0 540.704 6.797 3 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CC[NH+]3CCCCC3)ccc2C1 ZINC000038151300 562066863 /nfs/dbraw/zinc/06/68/63/562066863.db2.gz SUQSWWKAHLCGRQ-QWOOXDRHSA-N 1 0 595.809 5.952 1 0 KKAFRO O=C(CNC1(c2ccc(-c3c(Cl)cccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157894 562069794 /nfs/dbraw/zinc/06/97/94/562069794.db2.gz FFJIQQUKMRHXIF-UHFFFAOYSA-N 1 0 574.955 7.915 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccc(Cl)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157907 562069832 /nfs/dbraw/zinc/06/98/32/562069832.db2.gz XEWTWWFJVGEDOA-UHFFFAOYSA-N 1 0 540.510 7.262 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157903 562069865 /nfs/dbraw/zinc/06/98/65/562069865.db2.gz KQEZVNVONIRPFK-UHFFFAOYSA-N 1 0 590.061 7.507 1 0 KKAFRO C[C@H](Nc1c(-c2c(F)cc(OCCC[NH+]3CCCCC3)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000038311372 562070961 /nfs/dbraw/zinc/07/09/61/562070961.db2.gz UWVYORNWUVNEHV-ZDUSSCGKSA-N 1 0 518.918 5.340 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4cccc(C)c4C)C4CC4)[C@H]4C[NH2+]C[C@@H](C3)N4)cc2)c(Cl)c1 ZINC000039260295 562073031 /nfs/dbraw/zinc/07/30/31/562073031.db2.gz VKBBVOVNGWGZCA-HVIPQOSHSA-N 1 0 620.621 6.655 1 0 in-vitro KKAFRO O=c1ccc(-n2ccc3ccccc32)nn1CCCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000040414323 562075596 /nfs/dbraw/zinc/07/55/96/562075596.db2.gz DMCIQQQVSKCJQJ-UHFFFAOYSA-N 1 0 504.078 5.613 1 0 KKAFRO CC[NH+](CC)C[C@H](O)CSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422447 562075988 /nfs/dbraw/zinc/07/59/88/562075988.db2.gz LLMCAXLJBYLHOZ-JTHBVZDNSA-N 1 0 514.679 5.868 1 0 KKAFRO CC1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000040563994 562077764 /nfs/dbraw/zinc/07/77/64/562077764.db2.gz GWEWFPMLAGKWMJ-URLMMPGGSA-N 1 0 534.144 6.978 1 0 KKAFRO O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(N2CCCC2)c(OCC[NH+]2CCCCC2)c1 ZINC000040565957 562078021 /nfs/dbraw/zinc/07/80/21/562078021.db2.gz NVZQFZXHIBKGBT-UHFFFAOYSA-N 1 0 500.470 5.889 1 0 KKAFRO CCC[N@@H+]1C[C@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@H]2C1 ZINC000040602130 562078437 /nfs/dbraw/zinc/07/84/37/562078437.db2.gz PWXYVVOGSGGNIT-PKOBYXMFSA-N 1 0 510.874 6.092 1 0 KKAFRO COC(=O)CCc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040631900 562078576 /nfs/dbraw/zinc/07/85/76/562078576.db2.gz SVPCSOMHSOLIQG-UHFFFAOYSA-N 1 0 523.620 5.487 1 0 KKAFRO CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000040863509 562081058 /nfs/dbraw/zinc/08/10/58/562081058.db2.gz AROUWIMOXIPEQX-ABYGYWHVSA-N 1 0 504.700 5.029 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040898658 562083333 /nfs/dbraw/zinc/08/33/33/562083333.db2.gz BDOBNHGYFGVFDD-QHCPKHFHSA-N 1 0 507.581 6.647 1 0 KKAFRO C[C@H](c1ccn(-c2ccc(C(F)(F)F)cc2)c1)[NH+]1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000040899812 562083374 /nfs/dbraw/zinc/08/33/74/562083374.db2.gz KECSVTDSTFIBIO-GOSISDBHSA-N 1 0 505.968 5.870 1 0 KKAFRO CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C(=[NH2+])N(C)C)cc1 ZINC000040900827 562083529 /nfs/dbraw/zinc/08/35/29/562083529.db2.gz XUBLMPPIAJVFTL-UHFFFAOYSA-N 1 0 500.386 5.179 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000040901147 562083554 /nfs/dbraw/zinc/08/35/54/562083554.db2.gz VRKAWVPHBXFMEM-UHFFFAOYSA-N 1 0 505.884 5.025 1 0 KKAFRO CCC[N@@H+]1CCC[C@H](c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040917736 562084087 /nfs/dbraw/zinc/08/40/87/562084087.db2.gz LZOWLPPKVLNYEG-SFHVURJKSA-N 1 0 517.609 5.281 1 0 KKAFRO CCC[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040954201 562086449 /nfs/dbraw/zinc/08/64/49/562086449.db2.gz GAWLGGFBSVEUMN-ZFIHGSKBSA-N 1 0 522.574 6.330 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(C)ccc2F)C1 ZINC000040957695 562086934 /nfs/dbraw/zinc/08/69/34/562086934.db2.gz YPAHDVKIEWLVPC-AHPZMPFVSA-N 1 0 505.719 5.118 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Cl)C1 ZINC000040975913 562087174 /nfs/dbraw/zinc/08/71/74/562087174.db2.gz HCRMKCAILQTGAX-NYULUDCUSA-N 1 0 508.147 5.324 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(C)cc1 ZINC000042803241 562088102 /nfs/dbraw/zinc/08/81/02/562088102.db2.gz XEDCIESGUQLHMH-UHFFFAOYSA-N 1 0 551.691 5.421 1 0 KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)CC4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532591 560072594 /nfs/dbraw/zinc/07/25/94/560072594.db2.gz KFEVUNVZZSJLBB-CHIVFCCHSA-N 1 0 511.703 5.970 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCCC3)[C@H]2[C@@H]1C ZINC000085532471 560072609 /nfs/dbraw/zinc/07/26/09/560072609.db2.gz ACIXZNREGCKOIB-WIPJXPNTSA-N 1 0 573.774 6.830 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)C[C@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532496 560072757 /nfs/dbraw/zinc/07/27/57/560072757.db2.gz ZSCXLHZTZGDSBN-GJIJGONESA-N 1 0 565.795 7.140 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3CC[C@]5(O)[C@@H]3C=CC[C@H](C)C3)[C@H]2[C@@H]1C ZINC000085532379 560072768 /nfs/dbraw/zinc/07/27/68/560072768.db2.gz TZXYUWJMTYIYOZ-PSVRICBUSA-N 1 0 505.655 5.130 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCC(C)C)[C@H]2[C@@H]1C ZINC000085532416 560072853 /nfs/dbraw/zinc/07/28/53/560072853.db2.gz AWNNQCHEFCWHNM-KDJUNULDSA-N 1 0 563.735 5.268 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCCC(C)C)[C@H]2[C@@H]1C ZINC000085532393 560072872 /nfs/dbraw/zinc/07/28/72/560072872.db2.gz GRWHWSZFWUCEAW-HXZFUUHCSA-N 1 0 577.762 5.658 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532345 560073028 /nfs/dbraw/zinc/07/30/28/560073028.db2.gz DVZUPUZEMYNWJI-OQWDBDEGSA-N 1 0 535.725 6.135 1 0 biogenic,in-vitro KKAFRO Cc1cc(C)n(C[C@@H](NC(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccccc2)n1 ZINC000043021944 562644952 /nfs/dbraw/zinc/64/49/52/562644952.db2.gz LCXRMOKMNODMLL-GDLZYMKVSA-N 1 0 564.656 6.015 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064030 562645304 /nfs/dbraw/zinc/64/53/04/562645304.db2.gz BEXVBWGCOSRYDF-PMERELPUSA-N 1 0 550.600 6.538 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000043070632 562645500 /nfs/dbraw/zinc/64/55/00/562645500.db2.gz MMJRIJVMZMXHPL-UHFFFAOYSA-N 1 0 540.630 5.240 1 0 KKAFRO O=C(N[C@@H](c1ncc[nH]1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069679 562645520 /nfs/dbraw/zinc/64/55/20/562645520.db2.gz PCLLBFUYVTXKME-RUZDIDTESA-N 1 0 522.575 5.272 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NCCC[NH+](C)C ZINC000043073911 562645607 /nfs/dbraw/zinc/64/56/07/562645607.db2.gz MHVRGMRSKOIIHH-JLHYYAGUSA-N 1 0 523.563 5.397 1 0 KKAFRO CC(=O)NC1(c2cccc(F)c2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccccc3)C(=O)CO2)CC1 ZINC000043105328 562645986 /nfs/dbraw/zinc/64/59/86/562645986.db2.gz GZSOMSMPMRBKAO-HKBQPEDESA-N 1 0 584.519 5.909 1 0 KKAFRO Cc1c(OC2CC[NH+](CC3CC[NH+]([C@@](C)(Cc4ccc(F)cc4)C(=O)[O-])CC3)CC2)ccc(Cl)c1Cl ZINC000043151886 562646390 /nfs/dbraw/zinc/64/63/90/562646390.db2.gz AYPGYVOWMUSFPT-NDEPHWFRSA-N 1 0 537.503 6.082 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+](C)C)cc4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000043170522 562646535 /nfs/dbraw/zinc/64/65/35/562646535.db2.gz ONTKIUFMGHVNJP-UHFFFAOYSA-N 1 0 507.642 5.935 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000043205434 562647014 /nfs/dbraw/zinc/64/70/14/562647014.db2.gz MZBCWMLDVRAXQY-SANMLTNESA-N 1 0 531.738 5.202 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCCc3ccccc3)cc2)n1 ZINC000043524408 562649030 /nfs/dbraw/zinc/64/90/30/562649030.db2.gz XFGNUWDPCXOWCB-NDEPHWFRSA-N 1 0 556.663 5.279 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2cccc(OCCCc3ccccc3)c2)n1 ZINC000043532230 562649282 /nfs/dbraw/zinc/64/92/82/562649282.db2.gz MRKGTCKCDREKNQ-NDEPHWFRSA-N 1 0 556.663 5.279 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1F)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000043532537 562649412 /nfs/dbraw/zinc/64/94/12/562649412.db2.gz NWEHAMQGCHTUHB-UKPGIYTDSA-N 1 0 624.550 8.310 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589889 562650069 /nfs/dbraw/zinc/65/00/69/562650069.db2.gz CKYOUSJBAOMLEO-DNKZPPIMSA-N 1 0 582.113 5.455 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000043598659 562650125 /nfs/dbraw/zinc/65/01/25/562650125.db2.gz JCESPGJQSJLSHD-YLWZKEKXSA-N 1 0 558.719 5.768 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCC[NH+]4CCCCC4)c3Cl)c2n1 ZINC000044031970 562651740 /nfs/dbraw/zinc/65/17/40/562651740.db2.gz RMTHOYRNQSAXCC-UHFFFAOYSA-N 1 0 593.577 5.088 1 0 KKAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052555 562651818 /nfs/dbraw/zinc/65/18/18/562651818.db2.gz MDLRAEPVBHKBOT-SANMLTNESA-N 1 0 546.405 5.135 1 0 KKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH]2)cc1 ZINC000044306119 562653618 /nfs/dbraw/zinc/65/36/18/562653618.db2.gz UBUCIIFBJIRGAF-UHFFFAOYSA-N 1 0 562.640 6.624 1 0 KKAFRO O=C(O[C@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1)c1ccccc1 ZINC000044306460 562653782 /nfs/dbraw/zinc/65/37/82/562653782.db2.gz SOBFYVRPTUPRPS-WJOKGBTCSA-N 1 0 545.727 6.661 1 0 KKAFRO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4ccc(C(C)(C)C)cc4)ccc3CC[C@H]2O)cc1 ZINC000044307921 562654146 /nfs/dbraw/zinc/65/41/46/562654146.db2.gz YAVNTIXQCGCZAO-XWHIBYANSA-N 1 0 589.802 5.476 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2cnc4ccccc4c2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000044358342 562655305 /nfs/dbraw/zinc/65/53/05/562655305.db2.gz YFDHKSKGWQOQGC-LJAQVGFWSA-N 1 0 551.612 7.738 1 0 KKAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C[C@@H]2CCOC2)CC1 ZINC000044358371 562655335 /nfs/dbraw/zinc/65/53/35/562655335.db2.gz VNZFZQBATSJITB-HFZDXXHNSA-N 1 0 546.539 5.108 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1C ZINC000044359429 562655471 /nfs/dbraw/zinc/65/54/71/562655471.db2.gz XSDWSIBQQPTUOF-LMSSTIIKSA-N 1 0 582.667 5.064 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(N3CC[NH2+]CC3)nc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000044387073 562656027 /nfs/dbraw/zinc/65/60/27/562656027.db2.gz KOKWUMJGDGLYBY-UHFFFAOYSA-N 1 0 540.402 6.309 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)[nH]1 ZINC000044430633 562657608 /nfs/dbraw/zinc/65/76/08/562657608.db2.gz ZOGNMJNQBLFBPT-UHFFFAOYSA-N 1 0 586.114 5.936 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000045167998 562658095 /nfs/dbraw/zinc/65/80/95/562658095.db2.gz IYIJSIQRKWLRMK-FOQUEBIGSA-N 1 0 519.517 5.475 1 0 KKAFRO CC(C)[NH+](CCOc1ccc2c(c1)N(C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)CC2)C(C)C ZINC000045168686 562658137 /nfs/dbraw/zinc/65/81/37/562658137.db2.gz BYVFGJFBCNZFFG-UHFFFAOYSA-N 1 0 528.413 6.560 1 0 KKAFRO O=C(/C=C/c1cc(C(F)(F)F)ccc1F)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045186929 562658184 /nfs/dbraw/zinc/65/81/84/562658184.db2.gz AACSJUIJKVSDNE-DHZHZOJOSA-N 1 0 501.568 6.505 1 0 KKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186614 562658214 /nfs/dbraw/zinc/65/82/14/562658214.db2.gz LDCIPMKXLAJYAT-FQEVSTJZSA-N 1 0 500.630 6.983 1 0 KKAFRO CC(C)[NH+]1CCC(Oc2ccc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168978 562658217 /nfs/dbraw/zinc/65/82/17/562658217.db2.gz HTHWWQRUXVIKQR-JGCGQSQUSA-N 1 0 518.145 6.499 1 0 KKAFRO C[N@H+](CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045187821 562658254 /nfs/dbraw/zinc/65/82/54/562658254.db2.gz DMXIGACZQWXTRE-MUUNZHRXSA-N 1 0 530.713 6.023 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045187413 562658282 /nfs/dbraw/zinc/65/82/82/562658282.db2.gz FLYQMGNBZSBSLE-DBXZWAMYSA-N 1 0 526.508 5.967 1 0 KKAFRO C[C@H](c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045188514 562658339 /nfs/dbraw/zinc/65/83/39/562658339.db2.gz FOSHRTYAWBPJLF-LJQANCHMSA-N 1 0 510.531 5.483 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000045189510 562658380 /nfs/dbraw/zinc/65/83/80/562658380.db2.gz DVPIKXCLRWWIPR-XYOKQWHBSA-N 1 0 524.536 7.118 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)[NH2+][C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190170 562658420 /nfs/dbraw/zinc/65/84/20/562658420.db2.gz MRIXOSVAIGMWCR-WOJBJXKFSA-N 1 0 521.621 6.206 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)CC1 ZINC000045192915 562658706 /nfs/dbraw/zinc/65/87/06/562658706.db2.gz NQQWHBWDWXSNCO-SOFGYWHQSA-N 1 0 511.497 6.076 1 0 KKAFRO CC[N@H+](C)CCCn1c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2nc1N(C)C ZINC000045201513 562659081 /nfs/dbraw/zinc/65/90/81/562659081.db2.gz DGXCVGAFNROZNA-UHFFFAOYSA-N 1 0 521.090 5.525 1 0 KKAFRO O=C(C=C1c2ccccc2-c2ccccc21)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201967 562659129 /nfs/dbraw/zinc/65/91/29/562659129.db2.gz ZCHGYFBBHAUIIX-UHFFFAOYSA-N 1 0 515.701 7.135 1 0 KKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(I)cc1 ZINC000045202856 562659200 /nfs/dbraw/zinc/65/92/00/562659200.db2.gz LDPYFQFJRQEAPM-UHFFFAOYSA-N 1 0 530.454 5.944 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045210699 562659311 /nfs/dbraw/zinc/65/93/11/562659311.db2.gz QOOXSJMYERMZSS-NBSXQYNISA-N 1 0 522.904 6.297 1 0 KKAFRO CC(C)(C[NH2+]CCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045210033 562659318 /nfs/dbraw/zinc/65/93/18/562659318.db2.gz JQNFDYJZQDXDQM-UHFFFAOYSA-N 1 0 513.429 5.075 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC2)CC1 ZINC000045226602 562659343 /nfs/dbraw/zinc/65/93/43/562659343.db2.gz YNPOMHHWJVNDQO-UHFFFAOYSA-N 1 0 509.115 6.998 1 0 KKAFRO C[NH+](C)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045211265 562659344 /nfs/dbraw/zinc/65/93/44/562659344.db2.gz VRPZMEZJIINZRN-QHCPKHFHSA-N 1 0 506.474 5.113 1 0 KKAFRO Cc1cc(F)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045227226 562659354 /nfs/dbraw/zinc/65/93/54/562659354.db2.gz WJUPYZAHLINMLT-UHFFFAOYSA-N 1 0 522.064 6.429 1 0 KKAFRO c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)oc1C[NH2+]CCN1CCOCC1 ZINC000045226686 562659378 /nfs/dbraw/zinc/65/93/78/562659378.db2.gz VBSIYFLNTMIVQC-UHFFFAOYSA-N 1 0 521.621 5.848 1 0 KKAFRO O=C(N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045228535 562659516 /nfs/dbraw/zinc/65/95/16/562659516.db2.gz XDCYTXNEJKMHIJ-VWLOTQADSA-N 1 0 532.512 5.647 1 0 KKAFRO Cc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000045229288 562659563 /nfs/dbraw/zinc/65/95/63/562659563.db2.gz SJGLQVJJYKHFCS-UHFFFAOYSA-N 1 0 519.089 5.541 1 0 KKAFRO CCCC[NH+](CCCC)CC[C@H](O)/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000045230704 562659651 /nfs/dbraw/zinc/65/96/51/562659651.db2.gz ZCTAXTJBDYYHSO-GMPUOFRTSA-N 1 0 517.463 7.788 1 0 KKAFRO Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1 ZINC000045231278 562659706 /nfs/dbraw/zinc/65/97/06/562659706.db2.gz UCYULHKIUZOKKA-UHFFFAOYSA-N 1 0 508.471 5.062 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)c(=O)n3c2CCCC3)cc1 ZINC000045284583 562660162 /nfs/dbraw/zinc/66/01/62/562660162.db2.gz DTBJXJOVJQUJFV-UHFFFAOYSA-N 1 0 526.681 5.163 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045287134 562660197 /nfs/dbraw/zinc/66/01/97/562660197.db2.gz UEUNIDSAYSDNGK-UHFFFAOYSA-N 1 0 514.670 6.150 1 0 KKAFRO CC(C)(C)OC(=O)n1ccc2cc(C[NH2+]C[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290931 562660356 /nfs/dbraw/zinc/66/03/56/562660356.db2.gz QZHOOQCSGZGSKN-RUZDIDTESA-N 1 0 516.429 5.000 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@H]1CCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000045298405 562660386 /nfs/dbraw/zinc/66/03/86/562660386.db2.gz YWKPGWQHNFOGPP-DEOSSOPVSA-N 1 0 530.159 5.556 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4cccc(-c5ccccc5)c4)CC3)c2c1 ZINC000045301444 562660515 /nfs/dbraw/zinc/66/05/15/562660515.db2.gz WHMGUGOTHSUKGZ-ILXNMNDLSA-N 1 0 507.634 5.238 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC000045301764 562660524 /nfs/dbraw/zinc/66/05/24/562660524.db2.gz FITFYPNQERMWEA-UHFFFAOYSA-N 1 0 506.090 6.499 1 0 KKAFRO Cn1c2ccccc2nc1NC1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045301446 562660534 /nfs/dbraw/zinc/66/05/34/562660534.db2.gz XNIPPKKAUSSBEB-VQHVLOKHSA-N 1 0 526.512 5.708 1 0 KKAFRO Cc1ccc(C)c(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000045302183 562660558 /nfs/dbraw/zinc/66/05/58/562660558.db2.gz YJKUNPVERJOEJI-UHFFFAOYSA-N 1 0 518.101 6.599 1 0 KKAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045302962 562660748 /nfs/dbraw/zinc/66/07/48/562660748.db2.gz YGRLQBYLITUWDG-HSZRJFAPSA-N 1 0 511.713 5.429 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000045303052 562660783 /nfs/dbraw/zinc/66/07/83/562660783.db2.gz RQJLTPYFEKFWPB-KPKJPENVSA-N 1 0 521.464 5.672 1 0 KKAFRO CCCCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321575 562661052 /nfs/dbraw/zinc/66/10/52/562661052.db2.gz MDOBMFVRAIEFSI-IBGZPJMESA-N 1 0 511.610 5.138 1 0 KKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC([NH2+]Cc2cccnc2)CC1 ZINC000045324947 562661232 /nfs/dbraw/zinc/66/12/32/562661232.db2.gz RMBMKMLEBXCZNF-DHZHZOJOSA-N 1 0 521.061 5.029 1 0 KKAFRO Fc1c(COC[C@H](Cc2c[nH]cn2)Nc2nccc(-c3ccc4ccccc4c3)n2)cccc1C(F)(F)F ZINC000045364197 562661975 /nfs/dbraw/zinc/66/19/75/562661975.db2.gz CREXUBNHVLNMCW-QHCPKHFHSA-N 1 0 521.518 6.418 1 0 KKAFRO Cc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373263 562662288 /nfs/dbraw/zinc/66/22/88/562662288.db2.gz DJTKGWCOGVBRHI-SFYKUEKMSA-N 1 0 502.058 5.145 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOCC2(C)C)C1 ZINC000045505700 562662830 /nfs/dbraw/zinc/66/28/30/562662830.db2.gz MKWXOPNMYPINDJ-QTEQDKRBSA-N 1 0 508.547 5.940 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000048307322 562662946 /nfs/dbraw/zinc/66/29/46/562662946.db2.gz BYZPGSPKSVRQTF-WEVVVXLNSA-N 1 0 539.454 5.857 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000048307354 562663016 /nfs/dbraw/zinc/66/30/16/562663016.db2.gz BUBOVRBSDDJFIC-IZZDOVSWSA-N 1 0 557.444 6.162 1 0 KKAFRO CCCC[C@H]1N(CC2CCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048999494 562663209 /nfs/dbraw/zinc/66/32/09/562663209.db2.gz BQGPVKKNJCGGSP-HHHXNRCGSA-N 1 0 509.735 5.944 1 0 KKAFRO C[C@H]1CCC[N@@H+](C2CCN(c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)CC2)C1 ZINC000049033216 562663409 /nfs/dbraw/zinc/66/34/09/562663409.db2.gz NALJGCXSWWMKER-KRWDZBQOSA-N 1 0 513.526 6.677 1 0 KKAFRO C[C@@H]1CCC[N@@H+](C2CCN(c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)CC2)C1 ZINC000049033214 562663412 /nfs/dbraw/zinc/66/34/12/562663412.db2.gz NALJGCXSWWMKER-QGZVFWFLSA-N 1 0 513.526 6.677 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1CC1CCCCC1 ZINC000049053823 562663857 /nfs/dbraw/zinc/66/38/57/562663857.db2.gz IXUUTRACMVUZJF-UHFFFAOYSA-N 1 0 526.769 6.603 1 0 KKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)N(c1ccc(Br)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000049067763 562663998 /nfs/dbraw/zinc/66/39/98/562663998.db2.gz UNUYHVCNCOUDKK-UHFFFAOYSA-N 1 0 525.318 6.879 1 0 KKAFRO COc1ccc(CCOc2ccc3c(c2)c(CC[NH3+])cn3CCCCCc2ccc(SC)cc2)cc1 ZINC000049068728 562664012 /nfs/dbraw/zinc/66/40/12/562664012.db2.gz GWILIXWGRREEOE-UHFFFAOYSA-N 1 0 502.724 6.908 1 0 KKAFRO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(C[NH+](C)C)cc4)cc32)cc1 ZINC000049069056 562664053 /nfs/dbraw/zinc/66/40/53/562664053.db2.gz DODANUINFWAAIF-UHFFFAOYSA-N 1 0 507.642 5.983 1 0 KKAFRO O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049112772 562664595 /nfs/dbraw/zinc/66/45/95/562664595.db2.gz IXKSPYNBVOXXMS-UHFFFAOYSA-N 1 0 533.116 6.596 1 0 KKAFRO CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049114373 562664701 /nfs/dbraw/zinc/66/47/01/562664701.db2.gz SOTWHQNDCMJPNL-AREMUKBSSA-N 1 0 539.765 5.514 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2Cc2ccccc2)s1)C1CCCCC1 ZINC000049125547 562664755 /nfs/dbraw/zinc/66/47/55/562664755.db2.gz YVVYRJPRGCJJLO-PPNCUWOSSA-N 1 0 518.727 5.224 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000049605008 562665232 /nfs/dbraw/zinc/66/52/32/562665232.db2.gz IJBQZWLALOWFAT-UHFFFAOYSA-N 1 0 539.661 5.149 1 0 KKAFRO O=C(N[C@@H](CCC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049605076 562665288 /nfs/dbraw/zinc/66/52/88/562665288.db2.gz JJZOMLNPXSJJBP-MHZLTWQESA-N 1 0 645.471 8.804 1 0 KKAFRO CCOC(=O)c1cc(C(=O)NCCCC[NH+]2CCC(c3cn(C)c4ccccc34)CC2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000049605044 562665315 /nfs/dbraw/zinc/66/53/15/562665315.db2.gz NKEDBINVMJPIQJ-UHFFFAOYSA-N 1 0 605.701 7.430 1 0 KKAFRO COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)NC2CC[NH+](Cc4ccccc4)CC2)[C@@H](Cc2ccc(O)cc2)C(=O)N3)c1 ZINC000049605088 562665354 /nfs/dbraw/zinc/66/53/54/562665354.db2.gz QUNKXPWBEYCFIL-ZAQUEYBZSA-N 1 0 718.895 6.223 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049605200 562665528 /nfs/dbraw/zinc/66/55/28/562665528.db2.gz OZKQAQLGADMYDP-VZUCSPMQSA-N 1 0 569.480 6.181 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc(Br)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049605204 562665536 /nfs/dbraw/zinc/66/55/36/562665536.db2.gz NVGYGVGHYWGMFP-UHFFFAOYSA-N 1 0 568.943 6.744 1 0 KKAFRO NC(=O)c1sc(-n2cnc3ccc(OCC4CC[NH2+]CC4)cc32)cc1OCc1ccccc1C(F)(F)F ZINC000049605227 562665568 /nfs/dbraw/zinc/66/55/68/562665568.db2.gz YEXNALRMYMPINB-UHFFFAOYSA-N 1 0 530.572 5.162 1 0 KKAFRO COc1ccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000049605280 562665627 /nfs/dbraw/zinc/66/56/27/562665627.db2.gz NFNSUJCBMNEKHX-MDWZMJQESA-N 1 0 567.052 5.907 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c1)CC2 ZINC000049605302 562665672 /nfs/dbraw/zinc/66/56/72/562665672.db2.gz MPEJCPFTSQOUEY-UHFFFAOYSA-N 1 0 536.598 6.003 1 0 KKAFRO COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605449 562665912 /nfs/dbraw/zinc/66/59/12/562665912.db2.gz WQQCWWFROVXTDG-OIDHKYIRSA-N 1 0 678.661 5.736 1 0 KKAFRO CCNC(=O)NC1CC[NH+](Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000049605500 562665963 /nfs/dbraw/zinc/66/59/63/562665963.db2.gz FQJNVWVYTBECGO-NRFANRHFSA-N 1 0 547.769 5.945 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc(-c3ccco3)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049605639 562666183 /nfs/dbraw/zinc/66/61/83/562666183.db2.gz KOZMRYCXBLUKGE-UHFFFAOYSA-N 1 0 556.106 7.242 1 0 KKAFRO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605789 562666344 /nfs/dbraw/zinc/66/63/44/562666344.db2.gz NLPYUOOSZXDDEC-UFYCRDLUSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000049605754 562666333 /nfs/dbraw/zinc/66/63/33/562666333.db2.gz RXONTSVTWRMLQQ-BFGDYUKKSA-N 1 0 570.605 6.705 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049605795 562666342 /nfs/dbraw/zinc/66/63/42/562666342.db2.gz GZBJBBOJGUMLBY-UHFFFAOYSA-N 1 0 576.574 6.115 1 0 KKAFRO O=C(Nc1cccc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049625527 562666765 /nfs/dbraw/zinc/66/67/65/562666765.db2.gz WNUBINGTGVGWNK-GOTSBHOMSA-N 1 0 535.491 5.809 1 0 KKAFRO O=C(Nc1cccc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049625523 562666783 /nfs/dbraw/zinc/66/67/83/562666783.db2.gz WNUBINGTGVGWNK-PKTZIBPZSA-N 1 0 535.491 5.809 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)c(Cl)c2)C1 ZINC000049625450 562666785 /nfs/dbraw/zinc/66/67/85/562666785.db2.gz PDBJQLQISVCQIY-AHWVRZQESA-N 1 0 585.214 5.420 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCCO)c1 ZINC000049626066 562666991 /nfs/dbraw/zinc/66/69/91/562666991.db2.gz UFBVRCUDHRJUAO-UHFFFAOYSA-N 1 0 578.153 5.915 1 0 KKAFRO C[NH+](C)CCNC(=O)c1ccc2c(c1)n(C1CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC1)c(=O)n2CC1CCCCC1 ZINC000049626109 562667013 /nfs/dbraw/zinc/66/70/13/562667013.db2.gz VENUATGDELZKLZ-UHFFFAOYSA-N 1 0 643.854 5.368 1 0 KKAFRO CCCC[NH+]1CCN(c2cc(NS(=O)(=O)c3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccc2OC)CC1 ZINC000049626160 562667035 /nfs/dbraw/zinc/66/70/35/562667035.db2.gz QJTSNQHAVGQIOH-UHFFFAOYSA-N 1 0 590.668 5.689 1 0 KKAFRO CC(=O)Nc1cccc(CN(Cc2ccc(-c3ccc(C[NH2+]Cc4cccnc4)cn3)cc2)C(=O)Cc2cccnc2)c1 ZINC000049626227 562667066 /nfs/dbraw/zinc/66/70/66/562667066.db2.gz LIYMFZLZKUOJTR-UHFFFAOYSA-N 1 0 570.697 5.558 1 0 KKAFRO CC(C)(C)C(=O)Oc1ccc(C[C@@H]2[NH2+]CCc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)cc1OC(=O)C(C)(C)C ZINC000049626265 562667106 /nfs/dbraw/zinc/66/71/06/562667106.db2.gz ZLQIOUWNDPAURR-DEOSSOPVSA-N 1 0 623.787 6.922 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049626714 562667323 /nfs/dbraw/zinc/66/73/23/562667323.db2.gz RNOJVMQUOQWFKT-KPKJPENVSA-N 1 0 571.471 6.552 1 0 KKAFRO O=c1cc(NCC[C@@H](C[NH2+]Cc2cc3ccccc3o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626739 562667347 /nfs/dbraw/zinc/66/73/47/562667347.db2.gz SDROXRZCBIRXDT-QHCPKHFHSA-N 1 0 624.377 6.550 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@@H]3CC[N@H+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667578 /nfs/dbraw/zinc/66/75/78/562667578.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 1 0 583.198 5.173 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000049639141 562667651 /nfs/dbraw/zinc/66/76/51/562667651.db2.gz QWPPTRDGCOIOSV-WEVVVXLNSA-N 1 0 555.909 6.372 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049639192 562667668 /nfs/dbraw/zinc/66/76/68/562667668.db2.gz WBHJJJBEIQGNME-CSKARUKUSA-N 1 0 571.471 6.598 1 0 KKAFRO O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049650259 562668059 /nfs/dbraw/zinc/66/80/59/562668059.db2.gz KLGKWPHPNYLNFS-UHFFFAOYSA-N 1 0 647.263 9.029 1 0 KKAFRO COc1ccc(C(C(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2)cc1 ZINC000049654689 562668133 /nfs/dbraw/zinc/66/81/33/562668133.db2.gz ZRGFQODGTBBTPX-GIJQJNRQSA-N 1 0 621.727 5.373 1 0 KKAFRO COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678229 562668449 /nfs/dbraw/zinc/66/84/49/562668449.db2.gz JOTYMLKDQAFRFK-IRPSRAIASA-N 1 0 688.872 5.745 1 0 KKAFRO COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679066 562668733 /nfs/dbraw/zinc/66/87/33/562668733.db2.gz WCRLPADNCYTVRC-AYWVHJORSA-N 1 0 651.764 5.431 1 0 KKAFRO O=C(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049695548 562670750 /nfs/dbraw/zinc/67/07/50/562670750.db2.gz BWUVASHCJZBOKE-QHCPKHFHSA-N 1 0 544.142 5.083 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCC[NH+]6CCCCC6)cc5sc4n3)cc2)no1 ZINC000049708660 562670980 /nfs/dbraw/zinc/67/09/80/562670980.db2.gz HRTFJSPOQWWRIM-UHFFFAOYSA-N 1 0 558.708 7.010 1 0 KKAFRO CN(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049709000 562671157 /nfs/dbraw/zinc/67/11/57/562671157.db2.gz QQOGEFBZLDZTLL-XMMPIXPASA-N 1 0 573.184 5.218 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccc(-n5cnnn5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000049709921 562671483 /nfs/dbraw/zinc/67/14/83/562671483.db2.gz RSLCNNBJIWBAGB-UHFFFAOYSA-N 1 0 579.668 5.420 1 0 KKAFRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049710201 562671552 /nfs/dbraw/zinc/67/15/52/562671552.db2.gz UEEWFTFRIVRZLS-XAYKGCCJSA-N 1 0 577.553 5.844 1 0 KKAFRO CCS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049710382 562671639 /nfs/dbraw/zinc/67/16/39/562671639.db2.gz LIZOOHJQNLADMA-XBXARRHUSA-N 1 0 617.643 6.758 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049710399 562671667 /nfs/dbraw/zinc/67/16/67/562671667.db2.gz NJWYHURPOSBCSW-PUNHFCBRSA-N 1 0 619.615 5.339 1 0 KKAFRO CCCCCC(=O)N1CCO[C@@](CC[N@@H+]2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710510 562671691 /nfs/dbraw/zinc/67/16/91/562671691.db2.gz VCZBPJOANUSAGW-SSEXGKCCSA-N 1 0 542.551 6.568 1 0 KKAFRO Brc1cc(Br)c2c(c1)[C@H](NCCC[NH2+][C@@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710594 562671763 /nfs/dbraw/zinc/67/17/63/562671763.db2.gz ZDEPMBSNSMMZEB-RTBURBONSA-N 1 0 652.067 6.720 1 0 KKAFRO CN(C(=O)NCCc1ccccc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049711124 562671988 /nfs/dbraw/zinc/67/19/88/562671988.db2.gz SSPBIPNCZDHDGN-ACCUITESSA-N 1 0 545.555 5.642 1 0 KKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049722574 562672242 /nfs/dbraw/zinc/67/22/42/562672242.db2.gz UYHRAVUARCMIMP-UHFFFAOYSA-N 1 0 607.413 6.412 1 0 KKAFRO O=C(NCCCC[NH2+]C[C@H](Cc1cccc(O)c1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049722580 562672224 /nfs/dbraw/zinc/67/22/24/562672224.db2.gz ZPCQOTWQQWWEGL-NDEPHWFRSA-N 1 0 556.106 6.424 1 0 KKAFRO CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049722582 562672245 /nfs/dbraw/zinc/67/22/45/562672245.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N 1 0 578.544 6.457 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049722685 562672367 /nfs/dbraw/zinc/67/23/67/562672367.db2.gz QBQYZJCUCCJYOJ-UHFFFAOYSA-N 1 0 677.758 7.599 1 0 KKAFRO CCc1ccc(CNC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)o1 ZINC000049722981 562672779 /nfs/dbraw/zinc/67/27/79/562672779.db2.gz CEMZBHDGSBBBKE-OAQYLSRUSA-N 1 0 602.371 5.959 1 0 KKAFRO Cc1c(Cn2ncc(N3C[C@@H](C)[NH2+][C@H](C)C3)c(Cl)c2=O)cccc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049744804 562673483 /nfs/dbraw/zinc/67/34/83/562673483.db2.gz REJOYDJLQJDQCA-NHCUHLMSSA-N 1 0 557.098 5.751 1 0 KKAFRO Cn1c2ccccc2c2c1CC[N@@H+](CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744819 562673551 /nfs/dbraw/zinc/67/35/51/562673551.db2.gz IQXWGZKFNGUKSB-WJOKGBTCSA-N 1 0 548.514 6.301 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744875 562673556 /nfs/dbraw/zinc/67/35/56/562673556.db2.gz LQKSVBWVXREMMV-XUVXKRRUSA-N 1 0 555.909 6.072 1 0 KKAFRO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049744826 562673563 /nfs/dbraw/zinc/67/35/63/562673563.db2.gz GFNOQLBVAJEFJU-JXMROGBWSA-N 1 0 557.444 6.162 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cccc3c2OCCO3)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000049744944 562673595 /nfs/dbraw/zinc/67/35/95/562673595.db2.gz CZYSQYPQMACORO-UHFFFAOYSA-N 1 0 583.516 5.349 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)cc1-c1ccccc1 ZINC000049744942 562673603 /nfs/dbraw/zinc/67/36/03/562673603.db2.gz IQFWTLKHJVZEBD-UHFFFAOYSA-N 1 0 701.780 8.635 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C(=C/c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000049745039 562673664 /nfs/dbraw/zinc/67/36/64/562673664.db2.gz GOHWYHYJIYTAOW-DTSDZHHLSA-N 1 0 583.732 6.765 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049745812 562674077 /nfs/dbraw/zinc/67/40/77/562674077.db2.gz JPUXGPIOHUMPBU-XVNBXDOJSA-N 1 0 589.589 5.978 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745829 562674106 /nfs/dbraw/zinc/67/41/06/562674106.db2.gz CFWKOGVQRHXYDF-UHFFFAOYSA-N 1 0 634.891 6.429 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1 ZINC000049746027 562674223 /nfs/dbraw/zinc/67/42/23/562674223.db2.gz GCTKLNPCQFYBOB-JGCGQSQUSA-N 1 0 599.986 7.028 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(-c3cc4c(ncnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)s3)[nH]2)CC1 ZINC000049756124 562674844 /nfs/dbraw/zinc/67/48/44/562674844.db2.gz JQIJYYCWQQTDIU-UHFFFAOYSA-N 1 0 563.102 6.549 1 0 KKAFRO CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000049756145 562674846 /nfs/dbraw/zinc/67/48/46/562674846.db2.gz UPWGQPKTTPFZIG-HHHXNRCGSA-N 1 0 662.717 5.201 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049756818 562675261 /nfs/dbraw/zinc/67/52/61/562675261.db2.gz DIOOREPVPOCQKL-UHFFFAOYSA-N 1 0 558.683 5.814 1 0 KKAFRO CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCC[NH+]4CCCCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000049761757 562676122 /nfs/dbraw/zinc/67/61/22/562676122.db2.gz ZUPHIAVLINFSCF-QOEXFKEZSA-N 1 0 561.722 7.916 1 0 KKAFRO CC[N@@H+](C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1)C[C@H](CC1CCCCC1)NC(=O)OCc1cncs1 ZINC000049774936 562678783 /nfs/dbraw/zinc/67/87/83/562678783.db2.gz LIXMKOKUEJGOKF-IZZNHLLZSA-N 1 0 605.871 6.752 1 0 KKAFRO COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049775706 562679191 /nfs/dbraw/zinc/67/91/91/562679191.db2.gz DLMHGDJYRFBFRI-XIFFEERXSA-N 1 0 673.858 7.178 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)NCC5CCCCC5)cc3)c4N)c2)CC1 ZINC000049775702 562679201 /nfs/dbraw/zinc/67/92/01/562679201.db2.gz WYYDKVUNYRLXHX-UHFFFAOYSA-N 1 0 538.700 5.099 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c(OCC(N)=O)c3)CC2)ccc2c1CCCC2 ZINC000049777002 562679480 /nfs/dbraw/zinc/67/94/80/562679480.db2.gz IJHJHCWMELZLRQ-UHFFFAOYSA-N 1 0 604.191 6.148 1 0 KKAFRO CCOc1cc(CC)ccc1C1CC[NH+](CCN2CCC(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)cc3)CC2)CC1 ZINC000049777040 562679535 /nfs/dbraw/zinc/67/95/35/562679535.db2.gz COVVZTVRXSKDRL-UHFFFAOYSA-N 1 0 581.801 6.591 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777056 562679605 /nfs/dbraw/zinc/67/96/05/562679605.db2.gz LQXKLTBVOPEDDX-HKBQPEDESA-N 1 0 644.882 5.331 1 0 KKAFRO COc1ccc(C(C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2)cc1 ZINC000049777544 562680145 /nfs/dbraw/zinc/68/01/45/562680145.db2.gz BVOJPMLMSWLMNL-LPYMAVHISA-N 1 0 677.835 6.934 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCN2CC[NH+](C)CC2)ncn1 ZINC000049777799 562680578 /nfs/dbraw/zinc/68/05/78/562680578.db2.gz VKGKEHUDLZDBMP-UHFFFAOYSA-N 1 0 629.691 5.798 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000049778325 562681207 /nfs/dbraw/zinc/68/12/07/562681207.db2.gz YWSRNMSVJIDYNV-JOMNFKBKSA-N 1 0 723.544 8.948 1 0 KKAFRO C[NH+](C)CCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000049780133 562681367 /nfs/dbraw/zinc/68/13/67/562681367.db2.gz PUQZWAZCZZGVMG-ZEQRLZLVSA-N 1 0 651.332 5.153 1 0 KKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049780192 562681387 /nfs/dbraw/zinc/68/13/87/562681387.db2.gz ZUFUIYOZVFSEPX-WNOXWKSXSA-N 1 0 542.723 6.714 1 0 KKAFRO CSc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 ZINC000049780581 562681913 /nfs/dbraw/zinc/68/19/13/562681913.db2.gz LGCMOVRCUKEIRN-RPWUZVMVSA-N 1 0 594.700 5.721 1 0 KKAFRO Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](C[NH3+])C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781108 562682682 /nfs/dbraw/zinc/68/26/82/562682682.db2.gz HHFNUPNPOFOJPD-QHCPKHFHSA-N 1 0 594.410 7.929 1 0 KKAFRO CC(=O)N(C)Cc1ccc(Cl)c(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781267 562682862 /nfs/dbraw/zinc/68/28/62/562682862.db2.gz LDJHYSRTVHXITO-MHZLTWQESA-N 1 0 645.071 7.254 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2N2CC[C@@](C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000049781388 562683026 /nfs/dbraw/zinc/68/30/26/562683026.db2.gz XPXVRXYTAFCHFC-YFTAHVEOSA-N 1 0 639.806 5.500 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049781410 562683059 /nfs/dbraw/zinc/68/30/59/562683059.db2.gz ABOSMIZKCHEJEN-KIKDMBQDSA-N 1 0 647.682 5.406 1 0 KKAFRO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c[n+]1Cc1ccccc1 ZINC000049784015 562683385 /nfs/dbraw/zinc/68/33/85/562683385.db2.gz LJFWUMSWHLYYKL-UMSFTDKQSA-O 1 0 596.751 6.667 1 0 KKAFRO CCOC(=O)[C@@H](NC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c[n+]1Cc1ccccc1)C(C)C ZINC000049784394 562683578 /nfs/dbraw/zinc/68/35/78/562683578.db2.gz GPIRKTNBGUDCEF-HKBQPEDESA-O 1 0 520.653 5.496 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C[C@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784680 562683704 /nfs/dbraw/zinc/68/37/04/562683704.db2.gz NRQKOIIFRGQHPK-ZPGRZCPFSA-N 1 0 627.867 6.098 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)NCC5CCCCC5)cc3)c4N)cc2)CC1 ZINC000049785521 562683996 /nfs/dbraw/zinc/68/39/96/562683996.db2.gz LVSWEGNPHRUXSW-UHFFFAOYSA-N 1 0 538.700 5.099 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)CN4CC[NH+](CC5CCOCC5)CC4)CCCC3)sc2c1 ZINC000049793302 562684703 /nfs/dbraw/zinc/68/47/03/562684703.db2.gz MDXHYQFXUDJZES-SSEXGKCCSA-N 1 0 602.845 5.024 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2 ZINC000049802511 562685783 /nfs/dbraw/zinc/68/57/83/562685783.db2.gz BGFIGOPXAIGFNA-UHFFFAOYSA-N 1 0 506.578 6.089 1 0 KKAFRO CCOc1cc(C[NH+]2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC ZINC000049803133 562686015 /nfs/dbraw/zinc/68/60/15/562686015.db2.gz FPAJMJGGDZGJPZ-UHFFFAOYSA-N 1 0 536.654 5.112 1 0 in-vitro KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+](CC)CC)c(OC)cc43)ccc2s1 ZINC000049807668 562686438 /nfs/dbraw/zinc/68/64/38/562686438.db2.gz KHQLZJIASNWTGK-UHFFFAOYSA-N 1 0 508.644 5.884 1 0 KKAFRO CCCC[PH](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)C[NH3+])cc1 ZINC000049808539 562686689 /nfs/dbraw/zinc/68/66/89/562686689.db2.gz KPVRCOONGRNIPT-GDLZYMKVSA-N 1 0 525.718 6.188 1 0 KKAFRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000049841461 562688362 /nfs/dbraw/zinc/68/83/62/562688362.db2.gz PWYGLERUDMYFDC-UHFFFAOYSA-N 1 0 644.728 6.144 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC ZINC000049841465 562688367 /nfs/dbraw/zinc/68/83/67/562688367.db2.gz QXJNTMSGRQZRFO-CPCREDONSA-N 1 0 649.754 7.822 1 0 KKAFRO CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049867399 562689419 /nfs/dbraw/zinc/68/94/19/562689419.db2.gz PEIFDCMYVCGNKX-MUUNZHRXSA-N 1 0 563.699 5.183 1 0 in-vivo KKAFRO COc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049888983 562691669 /nfs/dbraw/zinc/69/16/69/562691669.db2.gz RMAFRQFHWPJSJM-UHFFFAOYSA-N 1 0 700.794 7.806 1 0 KKAFRO CC(C)[NH+](CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C ZINC000049889202 562691880 /nfs/dbraw/zinc/69/18/80/562691880.db2.gz DWDYTNBJCKOHTA-UHFFFAOYSA-N 1 0 593.643 7.343 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC ZINC000049889361 562692032 /nfs/dbraw/zinc/69/20/32/562692032.db2.gz QXJNTMSGRQZRFO-OWHBQTKESA-N 1 0 649.754 7.822 1 0 KKAFRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2n1 ZINC000049898145 562692276 /nfs/dbraw/zinc/69/22/76/562692276.db2.gz PFSYTCDBLGSLFB-UHFFFAOYSA-N 1 0 645.716 5.539 1 0 KKAFRO COc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000049908056 562693395 /nfs/dbraw/zinc/69/33/95/562693395.db2.gz HYOUMDZUCVBABI-UHFFFAOYSA-N 1 0 556.469 5.627 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(CCC[NH+]1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049908062 562693473 /nfs/dbraw/zinc/69/34/73/562693473.db2.gz CLVCMYHPGVWLHP-UHFFFAOYSA-N 1 0 702.768 8.051 1 0 KKAFRO CC(C)c1cc(Oc2c(I)cc(CC[NH2+]Cc3ccccc3)cc2I)ccc1O ZINC000049917563 562693547 /nfs/dbraw/zinc/69/35/47/562693547.db2.gz POKIJOSVEKDBIE-UHFFFAOYSA-N 1 0 613.277 6.849 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049917583 562693655 /nfs/dbraw/zinc/69/36/55/562693655.db2.gz IVUJSISMRKSLRP-PMERELPUSA-N 1 0 574.499 7.301 1 0 KKAFRO CCc1ccc(NC(=O)N(CCCn2ccnc2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049917777 562693927 /nfs/dbraw/zinc/69/39/27/562693927.db2.gz WSUSORWFWWYPBK-UHFFFAOYSA-N 1 0 564.759 6.983 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917858 562694015 /nfs/dbraw/zinc/69/40/15/562694015.db2.gz DJGWKTWKRTXWLC-NHCUHLMSSA-N 1 0 619.943 7.295 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917957 562694201 /nfs/dbraw/zinc/69/42/01/562694201.db2.gz AGLUKBSNZHMNNX-UFYCRDLUSA-N 1 0 572.364 6.586 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049917984 562694275 /nfs/dbraw/zinc/69/42/75/562694275.db2.gz NRNWHTIXQIROHB-UHFFFAOYSA-N 1 0 676.730 7.516 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3ccccc3c2O)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049918024 562694307 /nfs/dbraw/zinc/69/43/07/562694307.db2.gz HIWGKOLXZQUJCQ-UHFFFAOYSA-N 1 0 556.106 6.841 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000049918041 562694372 /nfs/dbraw/zinc/69/43/72/562694372.db2.gz KZOZELUNTPCTIL-BMRADRMJSA-N 1 0 606.638 7.344 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918114 562694459 /nfs/dbraw/zinc/69/44/59/562694459.db2.gz RLEGSRXMQFKDBA-WNOXWKSXSA-N 1 0 665.860 5.644 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049918133 562694481 /nfs/dbraw/zinc/69/44/81/562694481.db2.gz VOPIXGFAIRZWQB-NHZFLZHXSA-N 1 0 644.728 5.594 1 0 KKAFRO O=C(/C=C/c1ccc(I)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccc(O)cc32)CC1 ZINC000049918139 562694528 /nfs/dbraw/zinc/69/45/28/562694528.db2.gz QBLDZEWRWMWLCL-IZZDOVSWSA-N 1 0 557.476 5.657 1 0 KKAFRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918178 562694541 /nfs/dbraw/zinc/69/45/41/562694541.db2.gz MLJAUVIDNIEKEN-WUTDNEBXSA-N 1 0 549.499 5.206 1 0 KKAFRO CC(C)(C)NC(=O)c1ccc(CC2CC[NH+](CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049937626 562694959 /nfs/dbraw/zinc/69/49/59/562694959.db2.gz AFKBGLZHUWDUOY-UHFFFAOYSA-N 1 0 665.728 5.871 1 0 KKAFRO CC(=O)Nc1ncc(S(=O)(=O)N[C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938441 562695351 /nfs/dbraw/zinc/69/53/51/562695351.db2.gz IOOZPOJLJXNYOT-RUZDIDTESA-N 1 0 715.742 5.553 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000052987911 562696082 /nfs/dbraw/zinc/69/60/82/562696082.db2.gz IAJNZPZRAMWRRM-TUMTZTIRSA-N 1 0 546.649 6.518 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 ZINC000053025979 562696129 /nfs/dbraw/zinc/69/61/29/562696129.db2.gz ZWNBANLWZZXEKO-UHFFFAOYSA-N 1 0 505.490 6.036 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053206627 562696471 /nfs/dbraw/zinc/69/64/71/562696471.db2.gz IFXXCDFBSLSCGP-UHFFFAOYSA-N 1 0 577.733 6.083 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053206562 562696486 /nfs/dbraw/zinc/69/64/86/562696486.db2.gz JIMJOFDKLFAAOU-UHFFFAOYSA-N 1 0 607.612 5.943 1 0 KKAFRO CCCCN1C(=O)[C@H](CCCC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244086 562696843 /nfs/dbraw/zinc/69/68/43/562696843.db2.gz UAFMNOKGJKMIFS-HKBQPEDESA-N 1 0 545.768 6.691 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244105 562696880 /nfs/dbraw/zinc/69/68/80/562696880.db2.gz UXLNBKFAMFLHQY-NDEPHWFRSA-N 1 0 503.687 5.521 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696966 /nfs/dbraw/zinc/69/69/66/562696966.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 1 0 522.640 5.151 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053275019 562697043 /nfs/dbraw/zinc/69/70/43/562697043.db2.gz AERKVHQMODYBFE-UHFFFAOYSA-N 1 0 603.649 6.112 1 0 KKAFRO COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)[N@H+](C)CC4 ZINC000055749964 562697767 /nfs/dbraw/zinc/69/77/67/562697767.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 1 0 624.734 6.565 1 0 KKAFRO CC=C1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[N@@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697852 /nfs/dbraw/zinc/69/78/52/562697852.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 1 0 568.765 5.706 1 0 KKAFRO CCCN1c2ccccc2C(C2CCCCC2)=N[C@H](NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1=O ZINC000058476743 562697983 /nfs/dbraw/zinc/69/79/83/562697983.db2.gz INDVJKRYIVVHGE-SSEXGKCCSA-N 1 0 544.744 5.491 1 0 KKAFRO Cn1c(-c2ccc(NC(=O)CN3CCN(/C=C/[NH+](C)C)CC3)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000058487365 562698120 /nfs/dbraw/zinc/69/81/20/562698120.db2.gz ALOCTNUSOHUKMM-VHEBQXMUSA-N 1 0 520.681 5.010 1 0 KKAFRO CC1(C)CC[NH+](C2(C(N)=O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)n3CCCNS(C)(=O)=O)CC2)CC1 ZINC000058503302 562698292 /nfs/dbraw/zinc/69/82/92/562698292.db2.gz ODQVFPXSIHLBPD-UHFFFAOYSA-N 1 0 723.167 6.304 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000058508911 562698401 /nfs/dbraw/zinc/69/84/01/562698401.db2.gz JFZUBUPLMKFLQR-KYJUHHDHSA-N 1 0 519.645 5.401 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058563791 562699439 /nfs/dbraw/zinc/69/94/39/562699439.db2.gz ORZOCBRCPCCQDN-LJQANCHMSA-N 1 0 573.122 5.793 1 0 KKAFRO O=C(c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000058591796 562700511 /nfs/dbraw/zinc/70/05/11/562700511.db2.gz VPRSRLNXKQKDLR-UHFFFAOYSA-N 1 0 549.506 6.016 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058592505 562700595 /nfs/dbraw/zinc/70/05/95/562700595.db2.gz UPMYXXWLKPRNBD-RUZDIDTESA-N 1 0 634.044 7.301 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000058638981 562701189 /nfs/dbraw/zinc/70/11/89/562701189.db2.gz ACRSSIRQZLKXJN-NYFMKLKXSA-N 1 0 663.042 5.985 1 0 in-vitro KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3)cc2)c(Cl)c1 ZINC000059031018 562701583 /nfs/dbraw/zinc/70/15/83/562701583.db2.gz KQSHVFKMFCTXDI-XMMPIXPASA-N 1 0 540.918 8.365 1 0 KKAFRO COCCCOc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031012 562701596 /nfs/dbraw/zinc/70/15/96/562701596.db2.gz YRILRJCADJPSPO-NDEPHWFRSA-N 1 0 608.606 8.435 1 0 KKAFRO CC(C)c1ccc(C[NH2+]CCCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000059125767 562701730 /nfs/dbraw/zinc/70/17/30/562701730.db2.gz SCFCZEJBFLOUQO-WJOKGBTCSA-N 1 0 504.118 6.267 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(O[C@@H]4CCC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259522 562701941 /nfs/dbraw/zinc/70/19/41/562701941.db2.gz HLHNFPFYQRRGPP-QZTJIDSGSA-N 1 0 525.074 5.842 1 0 KKAFRO COc1ccc([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000059744828 562702234 /nfs/dbraw/zinc/70/22/34/562702234.db2.gz BVLUFAKPRYIHIB-BKMJKUGQSA-N 1 0 527.661 6.740 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000059796281 562702312 /nfs/dbraw/zinc/70/23/12/562702312.db2.gz KWUONWKBBNMQAD-QHHIVDTJSA-N 1 0 567.651 8.181 3 0 KKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1 ZINC000061895545 562702865 /nfs/dbraw/zinc/70/28/65/562702865.db2.gz FRDBUCBHBQKYBK-HKBQPEDESA-N 1 0 509.625 6.439 3 0 KKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)cn1 ZINC000061897979 562702939 /nfs/dbraw/zinc/70/29/39/562702939.db2.gz LLLNQQOQHKAYHT-JGCGQSQUSA-N 1 0 521.661 6.309 3 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000061898506 562702964 /nfs/dbraw/zinc/70/29/64/562702964.db2.gz BGFKMUVOKQEJAS-LJAQVGFWSA-N 1 0 501.577 5.510 3 0 KKAFRO CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061906724 562703099 /nfs/dbraw/zinc/70/30/99/562703099.db2.gz SRAUXLKDIRXQJW-NRFANRHFSA-N 1 0 511.573 5.815 3 0 KKAFRO Cc1cccc(Cl)c1-c1cccc2c(CCCOc3cccc4ccccc43)c(C(=O)NCCOCCOCC[NH3+])[nH]c21 ZINC000063539322 562704469 /nfs/dbraw/zinc/70/44/69/562704469.db2.gz IXUVJFBUVNKVQJ-UHFFFAOYSA-N 1 0 600.159 6.683 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[NH+]4CCCC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000063539603 562704478 /nfs/dbraw/zinc/70/44/78/562704478.db2.gz HTROFVQKJODSCL-UHFFFAOYSA-N 1 0 535.652 6.130 1 0 KKAFRO O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)C[NH2+]CC4)n2)c1)c1c(F)cccc1F ZINC000063540216 562704513 /nfs/dbraw/zinc/70/45/13/562704513.db2.gz SVKRXVXLNOBMGS-UHFFFAOYSA-N 1 0 573.607 6.378 1 0 KKAFRO CN(CCC[NH+](C)C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540249 562704536 /nfs/dbraw/zinc/70/45/36/562704536.db2.gz KDLLVDABAMKMLD-UHFFFAOYSA-N 1 0 526.685 5.991 1 0 KKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1ccc(C(F)(F)F)cc1 ZINC000064311341 562704729 /nfs/dbraw/zinc/70/47/29/562704729.db2.gz KTSFYRFFNOMOLD-FQEVSTJZSA-N 1 0 503.609 6.902 1 0 KKAFRO Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CC[NH+](C)CC5)c(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064417006 562705096 /nfs/dbraw/zinc/70/50/96/562705096.db2.gz IYYUOMFAAASGGM-UHFFFAOYSA-N 1 0 574.007 5.824 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447508 562705395 /nfs/dbraw/zinc/70/53/95/562705395.db2.gz BWLFYVMGFWJXLQ-IACRLCCOSA-N 1 0 550.106 6.765 1 0 KKAFRO CC[N@H+]1Cc2c(cc3nc4n(-c5ccccc5)nc(C(=O)OC)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448347 562705490 /nfs/dbraw/zinc/70/54/90/562705490.db2.gz XCPIKKVLNVAPCV-ZXVVBBHZSA-N 1 0 595.703 6.480 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064448540 562705560 /nfs/dbraw/zinc/70/55/60/562705560.db2.gz AVPLNVLKHWYKNZ-JGCGQSQUSA-N 1 0 604.216 5.342 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064453992 562705693 /nfs/dbraw/zinc/70/56/93/562705693.db2.gz JCJSAFZMXVQVBR-PMACEKPBSA-N 1 0 534.574 5.173 1 0 in-vivo KKAFRO C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC3)c1 ZINC000064491747 562705935 /nfs/dbraw/zinc/70/59/35/562705935.db2.gz RKIZEMGGSLKGQX-PEGYQXGSSA-N 1 0 608.636 5.466 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000064490888 562705977 /nfs/dbraw/zinc/70/59/77/562705977.db2.gz OKWHUFWYCMYVFQ-TYPXCFOJSA-N 1 0 552.716 5.071 3 0 KKAFRO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064510756 562706195 /nfs/dbraw/zinc/70/61/95/562706195.db2.gz FYIHUHLFTBIBLG-GDLZYMKVSA-N 1 0 505.493 6.751 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCNC2=O)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064512359 562706233 /nfs/dbraw/zinc/70/62/33/562706233.db2.gz IYBKCWABKHOZDN-XORNHQRDSA-N 1 0 515.498 5.475 1 0 KKAFRO Cc1nnc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)o1 ZINC000064513591 562706447 /nfs/dbraw/zinc/70/64/47/562706447.db2.gz IAJYKESLIPSTPI-REUBFRLUSA-N 1 0 625.204 7.457 1 0 KKAFRO O=C(CCC[NH+]1CCC(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514006 562706543 /nfs/dbraw/zinc/70/65/43/562706543.db2.gz AADWBQLQKGQDIM-UHFFFAOYSA-N 1 0 567.817 8.297 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4cnc5cnccn54)cc3C)cc2)c(Cl)c1 ZINC000064527981 562707230 /nfs/dbraw/zinc/70/72/30/562707230.db2.gz KJVIYDPVYSPYOA-XMMPIXPASA-N 1 0 561.513 7.063 1 0 KKAFRO CCN(CC[NH3+])C(=O)c1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)ccc1C ZINC000064541078 562707813 /nfs/dbraw/zinc/70/78/13/562707813.db2.gz FTSXVBUFVNXHCB-UHFFFAOYSA-N 1 0 512.658 5.696 1 0 KKAFRO C[NH+]1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5C(F)(F)F)c(C(N)=O)s4)c3c2)CC1 ZINC000064746655 562709166 /nfs/dbraw/zinc/70/91/66/562709166.db2.gz FNHUNERGHGEZMB-UHFFFAOYSA-N 1 0 530.572 5.257 1 0 in-vitro KKAFRO COc1ccccc1CN(C)C(=O)[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH+]1CCC(NC(C)=O)(c2ccccc2)CC1 ZINC000066066197 562709270 /nfs/dbraw/zinc/70/92/70/562709270.db2.gz BDROXNCOLLNVCM-SYBRLPANSA-N 1 0 594.583 6.046 1 0 KKAFRO O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(C/C=C/c1ccccc1)C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC000066066117 562709295 /nfs/dbraw/zinc/70/92/95/562709295.db2.gz VISZYUPFSKJMQJ-KCBJOQEMSA-N 1 0 524.644 5.074 1 0 KKAFRO COc1ccccc1CN(C)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCC(NC(C)=O)(c2ccccc2)CC1 ZINC000066066198 562709341 /nfs/dbraw/zinc/70/93/41/562709341.db2.gz BDROXNCOLLNVCM-VCTRWQRLSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073702 562709501 /nfs/dbraw/zinc/70/95/01/562709501.db2.gz BHFWFRYXVQJKHL-UCGGBYDDSA-N 1 0 632.554 7.056 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073655 562709505 /nfs/dbraw/zinc/70/95/05/562709505.db2.gz NUISDCKIKSBXQV-HVIPQOSHSA-N 1 0 599.002 6.691 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073698 562709515 /nfs/dbraw/zinc/70/95/15/562709515.db2.gz QLLNKTNPRXOQMG-CMVGPNDKSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073649 562709518 /nfs/dbraw/zinc/70/95/18/562709518.db2.gz VBLXYTXLCHOLLW-DICHSLLOSA-N 1 0 582.547 6.176 1 0 KKAFRO C[C@@H]1CN(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073933 562709646 /nfs/dbraw/zinc/70/96/46/562709646.db2.gz QCTSPULDYKATSX-HXUWFJFHSA-N 1 0 621.440 6.800 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074417 562709868 /nfs/dbraw/zinc/70/98/68/562709868.db2.gz HHPXXUVAVCXMQF-WJOKGBTCSA-N 1 0 631.652 6.909 1 0 KKAFRO C[NH2+][C@H](Cc1ccc(O)cc1)[C@H](O)CC/C=C/[C@@H](C)C[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000066074664 562709902 /nfs/dbraw/zinc/70/99/02/562709902.db2.gz RKGVXTNWBIBMQA-ARHRTUCRSA-N 1 0 514.710 5.788 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 ZINC000066075800 562710038 /nfs/dbraw/zinc/71/00/38/562710038.db2.gz XWOZZFOEVKMVJC-GDLZYMKVSA-N 1 0 534.616 5.410 1 0 KKAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000066080424 562710777 /nfs/dbraw/zinc/71/07/77/562710777.db2.gz BQGPSOUAQNSHSM-HHHXNRCGSA-N 1 0 538.523 5.276 1 0 KKAFRO COc1cc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 ZINC000066098351 562710913 /nfs/dbraw/zinc/71/09/13/562710913.db2.gz HFXOGTRXHXSDKI-FOPBOCKXSA-N 1 0 624.609 6.054 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099069 562711036 /nfs/dbraw/zinc/71/10/36/562711036.db2.gz FJASHILMBMXOEQ-QABMSTFYSA-N 1 0 570.586 6.099 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099075 562711046 /nfs/dbraw/zinc/71/10/46/562711046.db2.gz TVOHRYCZUZVYDP-RNAHPLFWSA-N 1 0 570.586 6.099 1 0 KKAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3OC)ncc2Cl)c1 ZINC000066104151 562711649 /nfs/dbraw/zinc/71/16/49/562711649.db2.gz SUQFSXIAGBTMRT-UHFFFAOYSA-N 1 0 578.117 5.015 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCSCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104215 562711659 /nfs/dbraw/zinc/71/16/59/562711659.db2.gz SQQKRSWGMFFDCR-IUUBXHLCSA-N 1 0 583.680 5.258 1 0 KKAFRO O=C(CCCc1ccccc1)O[C@H](CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000066104711 562711748 /nfs/dbraw/zinc/71/17/48/562711748.db2.gz BYFXZIUNDKEGTH-GDLZYMKVSA-N 1 0 524.076 6.850 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104833 562711752 /nfs/dbraw/zinc/71/17/52/562711752.db2.gz FOMYDJXGULFNEY-SITIXWHRSA-N 1 0 581.639 5.575 1 0 KKAFRO CC(C)[N@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)Cc1ccccc1 ZINC000066123822 562712581 /nfs/dbraw/zinc/71/25/81/562712581.db2.gz IZKPDLACVBPOLR-UHFFFAOYSA-N 1 0 521.727 5.103 1 0 KKAFRO C=CC(=O)Nc1cccc(CN2c3nc(NCCCC[NH+](CC)CC)ncc3CN(c3cc(OC)cc(OC)c3)C2=O)c1 ZINC000066129521 562712946 /nfs/dbraw/zinc/71/29/46/562712946.db2.gz SOCDDMPOELAHHU-UHFFFAOYSA-N 1 0 587.725 5.299 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136435 562713124 /nfs/dbraw/zinc/71/31/24/562713124.db2.gz FJOUSLJCSOLAGW-GJBCSVNNSA-N 1 0 642.036 6.660 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000066166903 562714169 /nfs/dbraw/zinc/71/41/69/562714169.db2.gz HBRBWGLNHPGTIF-ZLESDFJESA-N 1 0 628.009 6.270 3 0 KKAFRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066258412 562714946 /nfs/dbraw/zinc/71/49/46/562714946.db2.gz IZTYWGVKCAZWKV-SZPZYZBQSA-N 1 0 597.741 5.004 1 0 KKAFRO C[N@@H+]1CCC[C@@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258802 562715129 /nfs/dbraw/zinc/71/51/29/562715129.db2.gz UKGUYMZTTOHLED-LJQANCHMSA-N 1 0 565.566 5.764 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245723 562716087 /nfs/dbraw/zinc/71/60/87/562716087.db2.gz SEFCGYCHSOJILP-XMMPIXPASA-N 1 0 526.589 5.287 1 0 KKAFRO COCC(F)(F)COCc1ccc([C@@]2(O)CC[NH2+]C[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 ZINC000068246301 562716143 /nfs/dbraw/zinc/71/61/43/562716143.db2.gz IWJPAZAMBMFUOO-VTIYRKAUSA-N 1 0 566.689 5.104 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cn2)c(=O)c2c(F)cccc12 ZINC000068246838 562716192 /nfs/dbraw/zinc/71/61/92/562716192.db2.gz XRQFCDBUTIVNTI-HHHXNRCGSA-N 1 0 525.628 5.022 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1 ZINC000068247983 562716217 /nfs/dbraw/zinc/71/62/17/562716217.db2.gz GOXMNRJCRDHRBQ-UHFFFAOYSA-N 1 0 620.729 5.146 1 0 in-vitro KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294888 562717059 /nfs/dbraw/zinc/71/70/59/562717059.db2.gz KSYVEASKOQESOA-WSTUBMFZSA-N 1 0 512.742 6.271 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2Cl)cc1 ZINC000071316382 562717934 /nfs/dbraw/zinc/71/79/34/562717934.db2.gz BGBREARCDHTETM-WIOPSUGQSA-N 1 0 509.046 5.054 1 0 KKAFRO Cc1cccnc1O[C@@H](c1ccc(Br)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071315958 562717814 /nfs/dbraw/zinc/71/78/14/562717814.db2.gz BPLIGEHINHNRPM-BCHFMIIMSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318503 562718497 /nfs/dbraw/zinc/71/84/97/562718497.db2.gz GWAWCEXQGCBEJE-CLYVBNDRSA-N 1 0 626.006 5.881 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071319257 562718753 /nfs/dbraw/zinc/71/87/53/562718753.db2.gz QGZPBSFUMWAXER-PPHZAIPVSA-N 1 0 580.478 7.448 1 0 KKAFRO C[N@H+](CC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330165 562719082 /nfs/dbraw/zinc/71/90/82/562719082.db2.gz QJIHBQHUALITFU-DEOSSOPVSA-N 1 0 510.509 5.570 1 0 KKAFRO Cc1ccnc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071330085 562719091 /nfs/dbraw/zinc/71/90/91/562719091.db2.gz RUEHTYDIJMMJEX-WINIVTDRSA-N 1 0 595.493 7.151 1 0 KKAFRO Cc1cc(C)cc(C2=C(OCC[C@H]3CCCC[NH2+]3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1 ZINC000071330468 562719151 /nfs/dbraw/zinc/71/91/51/562719151.db2.gz YWHXYUQIWYAANP-XMMPIXPASA-N 1 0 507.505 8.120 1 0 KKAFRO CC(C)c1ccc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334369 562719577 /nfs/dbraw/zinc/71/95/77/562719577.db2.gz OHNIUIOFVVGQRR-NBQDTTAVSA-N 1 0 507.747 7.306 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCSC(=S)N1CC[NH2+]CC1 ZINC000071340251 562719683 /nfs/dbraw/zinc/71/96/83/562719683.db2.gz FPRGKHJECKCTOB-UHFFFAOYSA-N 1 0 628.195 6.446 1 0 KKAFRO C[N@H+]1CC(=Cc2cccc(Br)c2)C2=NC(=S)N[C@H](c3cccc(Br)c3)C2C1 ZINC000071340453 562719751 /nfs/dbraw/zinc/71/97/51/562719751.db2.gz SCXAFDGHPIMNIR-YCZZBHQNSA-N 1 0 505.279 5.014 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103198 562720336 /nfs/dbraw/zinc/72/03/36/562720336.db2.gz GTPMMMDYPWSLBL-WISKXVKBSA-N 1 0 676.053 6.857 3 0 KKAFRO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072105068 562720663 /nfs/dbraw/zinc/72/06/63/562720663.db2.gz RUUSENCBAOGSKC-UHFFFAOYSA-N 1 0 512.073 5.176 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105079 562720674 /nfs/dbraw/zinc/72/06/74/562720674.db2.gz XBHBUHNFHANSTE-UHFFFAOYSA-N 1 0 546.090 5.891 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)NC2CC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109725 562721609 /nfs/dbraw/zinc/72/16/09/562721609.db2.gz KOFTZFGNGACTCM-YIKNKFAXSA-N 1 0 626.232 7.093 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072111313 562721938 /nfs/dbraw/zinc/72/19/38/562721938.db2.gz OSPNJAOCAWIDDT-FLBADVGZSA-N 1 0 670.285 7.110 1 0 KKAFRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112007 562722021 /nfs/dbraw/zinc/72/20/21/562722021.db2.gz NLRTZUWVHGZTCY-FYCJCQSNSA-N 1 0 624.810 6.132 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)C[NH+]2CCCCC2)c(OC(C)C)c1 ZINC000072113429 562722386 /nfs/dbraw/zinc/72/23/86/562722386.db2.gz GYKYDSMPLXRLJJ-JSOSNVBQSA-N 1 0 580.556 7.347 1 0 KKAFRO CC[NH+](CC)CCC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072114330 562722666 /nfs/dbraw/zinc/72/26/66/562722666.db2.gz LBLRSOPWKXGTPC-JSOSNVBQSA-N 1 0 582.572 7.593 1 0 KKAFRO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118057 562723378 /nfs/dbraw/zinc/72/33/78/562723378.db2.gz JLJBKTJUXXMOSG-HHHXNRCGSA-N 1 0 594.559 7.752 1 0 KKAFRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118157 562723470 /nfs/dbraw/zinc/72/34/70/562723470.db2.gz KYIVTVHLBYHQGA-WGDIFIGCSA-N 1 0 560.542 7.556 1 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)N[C@@H](CCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119035 562723753 /nfs/dbraw/zinc/72/37/53/562723753.db2.gz WDRRPXSNQZKAPJ-QRQMUESOSA-N 1 0 658.848 5.185 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@H](CCC[NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119051 562723795 /nfs/dbraw/zinc/72/37/95/562723795.db2.gz WDRRPXSNQZKAPJ-OYPUMOIUSA-N 1 0 658.848 5.185 1 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)N[C@H](CCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119052 562723807 /nfs/dbraw/zinc/72/38/07/562723807.db2.gz WDRRPXSNQZKAPJ-SAGWHXFDSA-N 1 0 658.848 5.185 1 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072121360 562724229 /nfs/dbraw/zinc/72/42/29/562724229.db2.gz SZYOEPFBMRLVKU-UMSFTDKQSA-N 1 0 545.658 7.284 3 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000072123306 562724705 /nfs/dbraw/zinc/72/47/05/562724705.db2.gz NBPPCOOERKVTBL-PNIVXHRMSA-N 1 0 543.748 5.822 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123630 562724763 /nfs/dbraw/zinc/72/47/63/562724763.db2.gz BEGFCGPNILKSKQ-UKJJDJLKSA-N 1 0 633.447 7.344 1 0 KKAFRO Cc1cc(OS(=O)(=O)c2ccccc2)cc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000072123787 562725027 /nfs/dbraw/zinc/72/50/27/562725027.db2.gz GCFLTOHGDAHARG-OWHBQTKESA-N 1 0 687.884 5.227 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2cc(Cl)ccc12 ZINC000072124798 562725133 /nfs/dbraw/zinc/72/51/33/562725133.db2.gz VJBLFASCHMABPW-SSEXGKCCSA-N 1 0 541.095 6.141 1 0 KKAFRO CCCCNC(=O)[C@H](C1CCCCC1)N(CC[NH+](C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127741 562725884 /nfs/dbraw/zinc/72/58/84/562725884.db2.gz HUJIOOUZBZWSBP-COCZKOEFSA-N 1 0 749.997 7.473 3 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@]12CCCN1C(=O)N(CCCC[NH+]1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128760 562726260 /nfs/dbraw/zinc/72/62/60/562726260.db2.gz HNDPSBWXLXUVKK-FAIXQHPJSA-N 1 0 710.945 5.907 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131709 562726794 /nfs/dbraw/zinc/72/67/94/562726794.db2.gz GDDLZCIDYMGDBW-CLYVBNDRSA-N 1 0 648.475 8.467 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072134789 562727332 /nfs/dbraw/zinc/72/73/32/562727332.db2.gz LFOFHFFJVCGFFS-KWRMZWAXSA-N 1 0 662.026 6.467 3 0 KKAFRO O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1C(=O)c1ccc(N3CCC([NH+]4CCCCC4)CC3)cc1S2(=O)=O ZINC000072136427 562727977 /nfs/dbraw/zinc/72/79/77/562727977.db2.gz AHLGSDFQNFHWIN-UHFFFAOYSA-N 1 0 611.686 5.467 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000072136499 562728013 /nfs/dbraw/zinc/72/80/13/562728013.db2.gz NLDQNXPJJNOIIK-OVWOLCBMSA-N 1 0 578.713 5.353 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137863 562728433 /nfs/dbraw/zinc/72/84/33/562728433.db2.gz ZUFKXVUREMYOOB-GDLZYMKVSA-N 1 0 552.477 6.677 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072138043 562728579 /nfs/dbraw/zinc/72/85/79/562728579.db2.gz NNHYDAJISGOSNF-RLCGNTSFSA-N 1 0 654.151 5.441 3 0 KKAFRO CCc1[nH+]c(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2 ZINC000072138049 562728602 /nfs/dbraw/zinc/72/86/02/562728602.db2.gz SQXBOADNRXSHPF-UHFFFAOYSA-N 1 0 653.784 5.326 1 0 KKAFRO CC(C)NC(=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 ZINC000072138492 562728772 /nfs/dbraw/zinc/72/87/72/562728772.db2.gz SIHQACFNVCTPOW-OLHJXYGRSA-N 1 0 582.786 5.144 3 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc3OC(F)(F)F)nc1-2 ZINC000072139821 562729050 /nfs/dbraw/zinc/72/90/50/562729050.db2.gz MWTWLPODPMOIIN-UHFFFAOYSA-N 1 0 690.771 6.161 1 0 KKAFRO COc1ccc(N(S(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH2+]CC1 ZINC000072147798 562729903 /nfs/dbraw/zinc/72/99/03/562729903.db2.gz NPEAGLGRRKGAOK-UHFFFAOYSA-N 1 0 673.861 5.127 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072158219 562730181 /nfs/dbraw/zinc/73/01/81/562730181.db2.gz NVXADGOQGPIPIO-ANUHUJQCSA-N 1 0 643.749 9.848 3 0 KKAFRO COc1ccc([C@@H](C)C[NH+](C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072173021 562730707 /nfs/dbraw/zinc/73/07/07/562730707.db2.gz WCJGGTAAPIAIJS-PSEQGZRXSA-N 1 0 737.894 6.367 1 0 in-vitro KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC5CC[NH+](C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173007 562730712 /nfs/dbraw/zinc/73/07/12/562730712.db2.gz DIRZPSUTKSDOOL-UHFFFAOYSA-N 1 0 558.631 5.520 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180411 562732521 /nfs/dbraw/zinc/73/25/21/562732521.db2.gz KOOGZNWWYRPBFJ-OWCLPIDISA-N 1 0 517.432 5.739 1 0 KKAFRO Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182178 562732857 /nfs/dbraw/zinc/73/28/57/562732857.db2.gz SBFIOSDRDYETRF-HXUWFJFHSA-N 1 0 515.498 5.458 1 0 KKAFRO CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139506 562733455 /nfs/dbraw/zinc/73/34/55/562733455.db2.gz AEQMXNHFCMAJOR-LJAQVGFWSA-N 1 0 540.730 5.187 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2OC(F)F)c2cccc(F)c12)C1CC1 ZINC000073140369 562733618 /nfs/dbraw/zinc/73/36/18/562733618.db2.gz IKMISGUCMXQLNN-HEIROHQZSA-N 1 0 599.600 5.697 1 0 KKAFRO CC[NH+](CC)CCCOc1cc2ncnc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)c2cc1OC ZINC000073159901 562733977 /nfs/dbraw/zinc/73/39/77/562733977.db2.gz ATLNVAPKDPZCJP-UHFFFAOYSA-N 1 0 604.176 7.922 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000073163840 562734290 /nfs/dbraw/zinc/73/42/90/562734290.db2.gz NPMCEFXQQVODJR-SANMLTNESA-N 1 0 514.012 6.053 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000073166310 562734504 /nfs/dbraw/zinc/73/45/04/562734504.db2.gz STFZXNFAUSAZFQ-YKYRRELCSA-N 1 0 568.640 5.488 1 0 KKAFRO O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073167827 562734624 /nfs/dbraw/zinc/73/46/24/562734624.db2.gz KTGYQSLCEGJTLM-WJOKGBTCSA-N 1 0 552.690 5.788 1 0 KKAFRO CN(C)C(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196353 562735120 /nfs/dbraw/zinc/73/51/20/562735120.db2.gz FXQFHLWYGIPPLB-YTOIATDVSA-N 1 0 566.668 5.610 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000073197653 562735401 /nfs/dbraw/zinc/73/54/01/562735401.db2.gz GJLNDEKDUVZOPE-SFTDATJTSA-N 1 0 561.506 6.011 1 0 KKAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCc1cccc(C[NH2+]CCc3c(Cl)cccc3Cl)c1)ccc2[O-] ZINC000073198217 562735616 /nfs/dbraw/zinc/73/56/16/562735616.db2.gz ZKYKDCNIQRGNPZ-DEOSSOPVSA-N 1 0 546.520 5.190 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2Cl)c2ccc(Br)cc2)CC1 ZINC000073198191 562735650 /nfs/dbraw/zinc/73/56/50/562735650.db2.gz SAPIKJFPEVQOKS-LJQANCHMSA-N 1 0 624.838 7.484 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(F)ccc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219771 562736211 /nfs/dbraw/zinc/73/62/11/562736211.db2.gz LPWVPNDDNXQLEM-FPNNDXFKSA-N 1 0 587.765 6.042 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073219641 562736227 /nfs/dbraw/zinc/73/62/27/562736227.db2.gz PBRDPTAWEZZLAO-KBTVXYBOSA-N 1 0 538.157 6.362 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ncccc4Cl)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073221135 562736318 /nfs/dbraw/zinc/73/63/18/562736318.db2.gz HMNNSMICNXFMLO-AAVWJAMMSA-N 1 0 539.145 5.757 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073222107 562736331 /nfs/dbraw/zinc/73/63/31/562736331.db2.gz BWSHDRWLKAYFNJ-FPNNDXFKSA-N 1 0 570.759 6.168 1 0 KKAFRO Cc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073222102 562736354 /nfs/dbraw/zinc/73/63/54/562736354.db2.gz VQKCCZVESKKTGU-KWXIBIRDSA-N 1 0 537.173 6.231 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4Cl)c4ccccc4c3=O)CC2)c1 ZINC000073224303 562736612 /nfs/dbraw/zinc/73/66/12/562736612.db2.gz QQBJRMBDLBYGBZ-UHFFFAOYSA-N 1 0 549.502 6.598 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4cccc(Cl)c4)c4ccccc4c3=O)CC2)c1 ZINC000073224504 562736696 /nfs/dbraw/zinc/73/66/96/562736696.db2.gz GEBYDLQEEGYWCR-UHFFFAOYSA-N 1 0 515.057 5.945 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1 ZINC000073275863 562737299 /nfs/dbraw/zinc/73/72/99/562737299.db2.gz UZOKWTAIZMGZBS-QHCPKHFHSA-N 1 0 509.355 6.898 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000073353262 562738353 /nfs/dbraw/zinc/73/83/53/562738353.db2.gz UVVXBADVWWGZMY-MRHQGJBWSA-N 1 0 601.788 5.866 3 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(C(=O)Oc2ccc(F)c(C(N)=O)c2)c2cccc(F)c2)CC1 ZINC000082136610 562738921 /nfs/dbraw/zinc/73/89/21/562738921.db2.gz QOJZHKOMYWSJNG-UHFFFAOYSA-N 1 0 665.719 5.601 1 0 KKAFRO Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C[NH+]2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1 ZINC000082139967 562739280 /nfs/dbraw/zinc/73/92/80/562739280.db2.gz UNMDCYHNYHSQNY-UHFFFAOYSA-N 1 0 661.760 5.198 1 0 KKAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140358 562739388 /nfs/dbraw/zinc/73/93/88/562739388.db2.gz RCVRSHVGMISHKP-WJOKGBTCSA-N 1 0 674.069 6.061 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140386 562739431 /nfs/dbraw/zinc/73/94/31/562739431.db2.gz CNXQZTWZUOCTHS-GZEZSVSZSA-N 1 0 714.732 5.069 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140610 562739519 /nfs/dbraw/zinc/73/95/19/562739519.db2.gz GMPQJGPEIGUNAE-WJOKGBTCSA-N 1 0 672.053 6.161 1 0 KKAFRO CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc32)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000082149408 562739717 /nfs/dbraw/zinc/73/97/17/562739717.db2.gz JYXLNCZUBWPSBA-UHFFFAOYSA-N 1 0 507.653 6.954 1 0 KKAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082151277 562739894 /nfs/dbraw/zinc/73/98/94/562739894.db2.gz LLSFHWDMCJNSKF-WJOKGBTCSA-N 1 0 609.598 5.263 1 0 KKAFRO CCOC(=O)Nc1cc(NCCCC[NH+](CC)CC)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000082151904 562740009 /nfs/dbraw/zinc/74/00/09/562740009.db2.gz MSRCLZCSKKTAID-UHFFFAOYSA-N 1 0 524.716 6.584 1 0 KKAFRO CCOC(=O)Nc1nc(N[C@H](C)CCC[NH+](CC)CC)c2c(n1)S[C@@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153680 562740225 /nfs/dbraw/zinc/74/02/25/562740225.db2.gz QPAPXDIFCXITEA-RLWLMLJZSA-N 1 0 546.741 6.935 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(C[NH2+]CCF)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082156850 562740803 /nfs/dbraw/zinc/74/08/03/562740803.db2.gz HUCQBWDJSYLEPN-MUUNZHRXSA-N 1 0 679.020 5.363 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(CC(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000082157724 562740971 /nfs/dbraw/zinc/74/09/71/562740971.db2.gz LIJRBTIXYBYBBV-UHFFFAOYSA-N 1 0 517.580 5.553 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(C(C)C)cc4)c4ccccc4c3=O)CC2)c1 ZINC000082158351 562741113 /nfs/dbraw/zinc/74/11/13/562741113.db2.gz GDEKCPQOTZHLSQ-UHFFFAOYSA-N 1 0 522.693 6.415 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nnc(Br)s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000082158446 562741149 /nfs/dbraw/zinc/74/11/49/562741149.db2.gz LLRJQSKRPBWVEO-YFNKSVMNSA-N 1 0 616.651 5.641 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164704 562741183 /nfs/dbraw/zinc/74/11/83/562741183.db2.gz SZDNRBMQYZRUIM-VBTAUBHQSA-N 1 0 691.862 5.110 1 0 KKAFRO Cn1cc(C(=O)NCC[NH+](C)CCNC(=O)c2cn(C)c3c2ccc2cc(Cl)c(Cl)cc32)c2ccc3cc(Cl)c(Cl)cc3c21 ZINC000082187224 562742471 /nfs/dbraw/zinc/74/24/71/562742471.db2.gz NSLADDNPUPFIFG-UHFFFAOYSA-N 1 0 669.440 7.682 1 0 KKAFRO COc1ccc(F)cc1-c1cccc(C[NH2+]C2CCN(C[C@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000084373678 562742876 /nfs/dbraw/zinc/74/28/76/562742876.db2.gz RNYSYXPINOUNRW-QHCPKHFHSA-N 1 0 515.604 5.307 1 0 KKAFRO CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\c1cc(/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc[n+]1CCO ZINC000084394994 562742913 /nfs/dbraw/zinc/74/29/13/562742913.db2.gz WPWFMRDPTDEJJA-FAXVYDRBSA-N 1 0 592.932 10.997 1 0 in-man KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084596392 562743668 /nfs/dbraw/zinc/74/36/68/562743668.db2.gz QYZDZUQKTRTMQJ-BJKOFHAPSA-N 1 0 575.531 6.986 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084601972 562743970 /nfs/dbraw/zinc/74/39/70/562743970.db2.gz ALEZTVDHVPUCJJ-LEWJYISDSA-N 1 0 519.423 5.475 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084616490 562744596 /nfs/dbraw/zinc/74/45/96/562744596.db2.gz NPXGBPQLUUMPJK-MGBGTMOVSA-N 1 0 604.755 6.394 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2cc4ccccc4[nH]2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084616780 562744658 /nfs/dbraw/zinc/74/46/58/562744658.db2.gz TXENCERHUHLVCL-UHFFFAOYSA-N 1 0 557.626 6.694 1 0 KKAFRO COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc(=O)c2cc1OC ZINC000084617227 562744854 /nfs/dbraw/zinc/74/48/54/562744854.db2.gz QDCAJVSXNYAGPD-UHFFFAOYSA-N 1 0 585.745 7.200 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084619238 562745230 /nfs/dbraw/zinc/74/52/30/562745230.db2.gz RCXKRWNMYYQZCZ-VXKWHMMOSA-N 1 0 547.540 5.105 1 0 KKAFRO O=C(C[C@H](Nc1ccc(Br)c2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619624 562745306 /nfs/dbraw/zinc/74/53/06/562745306.db2.gz FALQGTMYJQEIRK-UMSFTDKQSA-N 1 0 701.710 6.289 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000084632432 562745525 /nfs/dbraw/zinc/74/55/25/562745525.db2.gz PLLMMGZUUVZIQQ-PMERELPUSA-N 1 0 684.669 5.389 1 0 KKAFRO CCCCOc1cc2c(cc1OCC[NH+](CC)CC)ncnc2Nc1ccc(NC(=O)OCC)c(C)c1 ZINC000084632568 562745571 /nfs/dbraw/zinc/74/55/71/562745571.db2.gz JNTAXEAJGFMQPH-UHFFFAOYSA-N 1 0 509.651 6.150 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)cc2F)n1 ZINC000084634158 562745851 /nfs/dbraw/zinc/74/58/51/562745851.db2.gz HQLVTAKQJIEMGS-BJKOFHAPSA-N 1 0 542.621 5.957 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652428 562746547 /nfs/dbraw/zinc/74/65/47/562746547.db2.gz SIKRLXCMRFQZMV-PVVRQRKMSA-N 1 0 627.188 8.863 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccncc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084652610 562746621 /nfs/dbraw/zinc/74/66/21/562746621.db2.gz CEDKXHIJEAOTCW-IJAHGLKVSA-N 1 0 673.793 5.456 1 0 KKAFRO Fc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084653495 562746893 /nfs/dbraw/zinc/74/68/93/562746893.db2.gz YMDHZMGPKRALSL-JGCGQSQUSA-N 1 0 546.606 5.850 1 0 KKAFRO C[NH+](C)[C@@]1(C)C[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000084653647 562746945 /nfs/dbraw/zinc/74/69/45/562746945.db2.gz HCHKWTPQBBGQOL-RLPNJSHFSA-N 1 0 545.049 6.163 1 0 KKAFRO CC(C)(C)c1cc(CN2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1 ZINC000084654083 562747153 /nfs/dbraw/zinc/74/71/53/562747153.db2.gz GQDFRLDUWXFTSJ-UHFFFAOYSA-N 1 0 560.817 9.070 1 0 KKAFRO [NH3+][C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084670950 562748390 /nfs/dbraw/zinc/74/83/90/562748390.db2.gz WHKHKRMWZFJQBP-DHNIRKAVSA-N 1 0 543.600 5.661 1 0 KKAFRO CC(=O)c1cccc(NC(=O)N(CCc2cccnc2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)c1 ZINC000084672537 562748810 /nfs/dbraw/zinc/74/88/10/562748810.db2.gz SXILWMGTJYQXOK-UHFFFAOYSA-N 1 0 575.738 6.974 1 0 KKAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC000084690954 562749760 /nfs/dbraw/zinc/74/97/60/562749760.db2.gz JQBAIBGWHDJVCY-GDLZYMKVSA-N 1 0 614.816 5.125 1 0 KKAFRO CN(C(=O)CC[C@@H]([C@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084711091 562750608 /nfs/dbraw/zinc/75/06/08/562750608.db2.gz FSFHOHZRPUPLEH-DWACAAAGSA-N 1 0 504.675 5.607 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3cccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)c3)cc2C(F)(F)F)CC1 ZINC000084722696 562751012 /nfs/dbraw/zinc/75/10/12/562751012.db2.gz STGQTGWWRHKYRG-UHFFFAOYSA-N 1 0 641.698 7.078 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724573 562751165 /nfs/dbraw/zinc/75/11/65/562751165.db2.gz HNULYTNKPUHCGU-WTRBYFHCSA-N 1 0 564.689 7.592 1 0 KKAFRO COc1c(C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC[C@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C ZINC000084758465 562752649 /nfs/dbraw/zinc/75/26/49/562752649.db2.gz SYTCYUDZWUIXOD-FREGXXQWSA-N 1 0 533.757 5.576 1 0 KKAFRO CNC(=O)Oc1cccc(C[N@H+](C)CCCCCCCOc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000084759591 562753019 /nfs/dbraw/zinc/75/30/19/562753019.db2.gz RTMBGYVFBGIVHT-UHFFFAOYSA-N 1 0 528.649 6.640 1 0 KKAFRO CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]C(C)C)CC2 ZINC000088261105 562753531 /nfs/dbraw/zinc/75/35/31/562753531.db2.gz SKFAEKQGAGCXQZ-OZXSUGGESA-N 1 0 511.559 5.895 1 0 KKAFRO CC[N@H+](C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1 ZINC000095538112 562754509 /nfs/dbraw/zinc/75/45/09/562754509.db2.gz CSWTXNVAULACPE-XPSQVAKYSA-N 1 0 806.023 8.455 1 0 KKAFRO CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 ZINC000095539427 562755038 /nfs/dbraw/zinc/75/50/38/562755038.db2.gz FSQMPBMPAVBLCK-VJFLTLQXSA-N 1 0 748.847 6.271 1 0 KKAFRO CC[NH+](CC)C[C@@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540208 562755574 /nfs/dbraw/zinc/75/55/74/562755574.db2.gz KVUNLHHSMXAIAJ-WHMAPKLYSA-N 1 0 761.540 7.207 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000095540744 562755952 /nfs/dbraw/zinc/75/59/52/562755952.db2.gz CZYLHNGDDNBPEJ-UHFFFAOYSA-N 1 0 789.866 8.437 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c(OC)c1OC ZINC000095541759 562756341 /nfs/dbraw/zinc/75/63/41/562756341.db2.gz CTPOZVITFCJCLL-VZUYHUTRSA-N 1 0 748.852 6.747 1 0 KKAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000095542369 562756711 /nfs/dbraw/zinc/75/67/11/562756711.db2.gz IZMABJSAEWWVAZ-BMBFPDSCSA-N 1 0 812.053 5.149 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000095542924 562756938 /nfs/dbraw/zinc/75/69/38/562756938.db2.gz ZPKHVQNRKMCYGL-BHFKZMFASA-N 1 0 771.881 6.605 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000095545706 562758189 /nfs/dbraw/zinc/75/81/89/562758189.db2.gz BEYBSSSCFNIKNG-WBCKFURZSA-N 1 0 772.840 8.037 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccc(OCc4ccccc4)cc32)CC1 ZINC000095548223 562759185 /nfs/dbraw/zinc/75/91/85/562759185.db2.gz DOFIXSCAAMVVQE-UHFFFAOYSA-N 1 0 793.877 9.843 1 0 KKAFRO C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548798 562759495 /nfs/dbraw/zinc/75/94/95/562759495.db2.gz PUWXIJWAYYMLGI-RPEDJVEQSA-N 1 0 788.864 5.797 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548862 562759554 /nfs/dbraw/zinc/75/95/54/562759554.db2.gz NEUMPLGRWKXMEG-QLFPLTKOSA-N 1 0 754.847 5.600 1 0 KKAFRO C[NH+](CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2)CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1ccccc1-2 ZINC000095549215 562759809 /nfs/dbraw/zinc/75/98/09/562759809.db2.gz QVFFQVGESPHDCZ-UHFFFAOYSA-N 1 0 799.590 8.686 1 0 KKAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000095553195 562760845 /nfs/dbraw/zinc/76/08/45/562760845.db2.gz MMJWOPXNUVEYOL-CQSZACIVSA-N 1 0 535.813 5.732 1 0 KKAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1 ZINC000095554505 562761275 /nfs/dbraw/zinc/76/12/75/562761275.db2.gz RNXXZGMYZLQECV-MUUNZHRXSA-N 1 0 565.666 6.356 1 0 KKAFRO Cc1ccccc1COc1cc(OCc2ccccc2C)cc(-c2cc(=O)c3ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc3o2)c1 ZINC000095555535 562761539 /nfs/dbraw/zinc/76/15/39/562761539.db2.gz RWIJYPXJSJRSPE-SSEXGKCCSA-N 1 0 607.747 7.363 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095557681 562762216 /nfs/dbraw/zinc/76/22/16/562762216.db2.gz MMOVKWAFRJUUCC-UHFFFAOYSA-N 1 0 780.439 6.816 1 0 KKAFRO COc1cc(-c2cc3cc(OC)c(OC)c(OC)c3c(C)[n+]2C)cc(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000095559777 562762852 /nfs/dbraw/zinc/76/28/52/562762852.db2.gz RKVKOWHEXSBTSJ-UHFFFAOYSA-N 1 0 536.648 7.017 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC[NH+](C5CC5)CC4)cn3)cc2)no1 ZINC000095559855 562762911 /nfs/dbraw/zinc/76/29/11/562762911.db2.gz BHXZFEQWQQPISU-UHFFFAOYSA-N 1 0 518.618 5.269 1 0 KKAFRO CCCCc1sc(-c2ccc(OCCC[NH+](C)C)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095562841 562763786 /nfs/dbraw/zinc/76/37/86/562763786.db2.gz YNAUMHSTHNXJNN-UHFFFAOYSA-N 1 0 521.126 8.596 1 0 KKAFRO CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OCCC[NH+](CC)CC)cc1 ZINC000095563446 562763971 /nfs/dbraw/zinc/76/39/71/562763971.db2.gz VMILHJQMBJQPCO-UHFFFAOYSA-N 1 0 549.180 9.376 1 0 KKAFRO Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCC[NH+]2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000095564383 562764300 /nfs/dbraw/zinc/76/43/00/562764300.db2.gz GPVPOGZATIROCR-UHFFFAOYSA-N 1 0 732.149 8.900 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000095564999 562764548 /nfs/dbraw/zinc/76/45/48/562764548.db2.gz LFOFHFFJVCGFFS-BBACVFHCSA-N 1 0 662.026 6.467 3 0 KKAFRO C[C@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O)c1cccc2ccccc21 ZINC000095565913 562764745 /nfs/dbraw/zinc/76/47/45/562764745.db2.gz COUJFDKQCHWQLT-LFNQMEPFSA-N 1 0 641.665 6.349 1 0 KKAFRO 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(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566322 562764909 /nfs/dbraw/zinc/76/49/09/562764909.db2.gz CZGXFYZCYNDJOB-VBEKBXFHSA-N 1 0 752.797 8.296 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566416 562764927 /nfs/dbraw/zinc/76/49/27/562764927.db2.gz WUSLFCKOLHKAFM-HQPLKVBUSA-N 1 0 654.006 6.423 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566391 562764942 /nfs/dbraw/zinc/76/49/42/562764942.db2.gz CFABTZAAJDECGO-PDTNBVABSA-N 1 0 628.814 6.214 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095566499 562765005 /nfs/dbraw/zinc/76/50/05/562765005.db2.gz UFTUBZJHXRESLK-HHPFYWKMSA-N 1 0 724.723 6.861 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095566523 562765081 /nfs/dbraw/zinc/76/50/81/562765081.db2.gz JUEHVKXRGUAEIX-WEVAMHJFSA-N 1 0 753.690 8.584 1 0 KKAFRO COc1ccc(NC(=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 ZINC000095566770 562765247 /nfs/dbraw/zinc/76/52/47/562765247.db2.gz BRPKOIUAXBFUAW-XUKQSAIQSA-N 1 0 622.766 6.358 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566836 562765313 /nfs/dbraw/zinc/76/53/13/562765313.db2.gz YKJQWERUMMRZAT-CUBHQPEVSA-N 1 0 642.800 7.503 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566960 562765392 /nfs/dbraw/zinc/76/53/92/562765392.db2.gz BYLIWFZGYMHZPB-AZAGJHQNSA-N 1 0 674.764 7.297 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567083 562765480 /nfs/dbraw/zinc/76/54/80/562765480.db2.gz DVQUFFYKIBJZKN-JBIYDAGWSA-N 1 0 656.827 7.432 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567240 562765614 /nfs/dbraw/zinc/76/56/14/562765614.db2.gz NLDQNXPJJNOIIK-CAHKVJEUSA-N 1 0 578.713 5.353 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567267 562765651 /nfs/dbraw/zinc/76/56/51/562765651.db2.gz BQBZRBUVQKQZDQ-ZORUDCLVSA-N 1 0 818.938 8.111 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567321 562765703 /nfs/dbraw/zinc/76/57/03/562765703.db2.gz HOPYMWLRLXEYET-HLWKFRGCSA-N 1 0 708.816 5.175 1 0 KKAFRO CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[NH2+][C@H](c2ccccc2)C1 ZINC000095567364 562765732 /nfs/dbraw/zinc/76/57/32/562765732.db2.gz MDYPEKYXGSHXAG-KCHLEUMXSA-N 1 0 523.098 6.178 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567653 562765971 /nfs/dbraw/zinc/76/59/71/562765971.db2.gz NLDQNXPJJNOIIK-NCLPYWGKSA-N 1 0 578.713 5.353 1 0 KKAFRO Cc1cc(N2CCN([C@@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2[nH+]1 ZINC000095567746 562766043 /nfs/dbraw/zinc/76/60/43/562766043.db2.gz NQPUPOVUVGQHQG-JGCGQSQUSA-N 1 0 504.678 6.132 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568160 562766371 /nfs/dbraw/zinc/76/63/71/562766371.db2.gz PBKGJIYWLALRHB-CUBHQPEVSA-N 1 0 660.815 6.504 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568205 562766402 /nfs/dbraw/zinc/76/64/02/562766402.db2.gz QLYAZMSBNLAUET-TWVHRYOLSA-N 1 0 692.842 5.735 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568330 562766534 /nfs/dbraw/zinc/76/65/34/562766534.db2.gz MSWYKZTXSBUWAM-ZYADHFCISA-N 1 0 646.027 6.761 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568832 562766977 /nfs/dbraw/zinc/76/69/77/562766977.db2.gz AOGINIYPPPQZNW-DVEXYGBFSA-N 1 0 702.856 5.546 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568904 562766980 /nfs/dbraw/zinc/76/69/80/562766980.db2.gz CDIQXANOTLSTIU-CAMFVRPXSA-N 1 0 714.867 6.599 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568888 562766992 /nfs/dbraw/zinc/76/69/92/562766992.db2.gz ORNNHAIJDBYIOA-GVNDJSPXSA-N 1 0 590.592 5.793 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095569072 562767097 /nfs/dbraw/zinc/76/70/97/562767097.db2.gz UVVGEXYAUAGWIN-DGHZZKTQSA-N 1 0 624.757 6.418 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569118 562767162 /nfs/dbraw/zinc/76/71/62/562767162.db2.gz FDPNJYFOMMKIAG-SPWOZAQASA-N 1 0 780.073 6.136 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095569501 562767495 /nfs/dbraw/zinc/76/74/95/562767495.db2.gz TXGYYWCQXDVHML-ULIDOWHDSA-N 1 0 634.699 6.855 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569562 562767491 /nfs/dbraw/zinc/76/74/91/562767491.db2.gz NLDQNXPJJNOIIK-PNRGXICFSA-N 1 0 578.713 5.353 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095569615 562767559 /nfs/dbraw/zinc/76/75/59/562767559.db2.gz CMTIPOGQFXEGCZ-XUKQSAIQSA-N 1 0 655.840 5.321 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000095570279 562768073 /nfs/dbraw/zinc/76/80/73/562768073.db2.gz BKTOKKILMYECOU-SANMLTNESA-N 1 0 591.552 6.883 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570382 562768157 /nfs/dbraw/zinc/76/81/57/562768157.db2.gz BCUCLIMAYGDMQB-LSJJIYBBSA-N 1 0 682.797 5.585 1 0 KKAFRO 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)Cc3ccccc3)cc2C1=O ZINC000095570632 562768314 /nfs/dbraw/zinc/76/83/14/562768314.db2.gz QWTHGLUFUCUWTA-MJZSVGSSSA-N 1 0 684.705 7.102 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000095570690 562768360 /nfs/dbraw/zinc/76/83/60/562768360.db2.gz IYUYFFMDIZMYQH-CUPIEXAXSA-N 1 0 619.989 6.227 3 0 KKAFRO 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 ZINC000095570802 562768469 /nfs/dbraw/zinc/76/84/69/562768469.db2.gz FUZWWGXSJONWBM-IOKPGSKQSA-N 1 0 652.636 6.720 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571180 562768848 /nfs/dbraw/zinc/76/88/48/562768848.db2.gz FKTABSPDLVGIRZ-VLKVQYIGSA-N 1 0 710.872 7.140 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571210 562768892 /nfs/dbraw/zinc/76/88/92/562768892.db2.gz JQYQEVXVIORBSR-DRSMIVCTSA-N 1 0 635.592 7.143 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095571327 562768923 /nfs/dbraw/zinc/76/89/23/562768923.db2.gz IQSVNIDGIMJPQN-UVNCRYBCSA-N 1 0 592.740 5.282 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571573 562769084 /nfs/dbraw/zinc/76/90/84/562769084.db2.gz NLDQNXPJJNOIIK-NPPPIGHJSA-N 1 0 578.713 5.353 1 0 KKAFRO 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 ZINC000095571538 562769093 /nfs/dbraw/zinc/76/90/93/562769093.db2.gz DEMCBGNJFOTASI-QWQFASRJSA-N 1 0 638.589 5.214 1 0 KKAFRO COC(=O)[C@@H](CC[NH+](C)C)N(C)C(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095572126 562769317 /nfs/dbraw/zinc/76/93/17/562769317.db2.gz ONGHAXDNZOLURJ-HHHXNRCGSA-N 1 0 600.181 5.607 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000095573273 562769641 /nfs/dbraw/zinc/76/96/41/562769641.db2.gz DWLGMXSQIHCWQW-ZMEWCLFHSA-N 1 0 603.162 7.544 1 0 KKAFRO CC[NH+](CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1 ZINC000095575260 562770250 /nfs/dbraw/zinc/77/02/50/562770250.db2.gz JDFDIPOHWXDVCS-UHFFFAOYSA-N 1 0 513.063 5.657 1 0 KKAFRO COC(=O)[C@H](CC[NH+](C)C)NC(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095575764 562770441 /nfs/dbraw/zinc/77/04/41/562770441.db2.gz IPSUNCXYJFSPLS-SANMLTNESA-N 1 0 586.154 5.265 1 0 KKAFRO CCN(CCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095576230 562770563 /nfs/dbraw/zinc/77/05/63/562770563.db2.gz IBVHBAHGLWJACY-UHFFFAOYSA-N 1 0 529.710 6.008 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2ccc3n[nH]cc3c2)nn1 ZINC000095576488 562770683 /nfs/dbraw/zinc/77/06/83/562770683.db2.gz CDXRBIMKCWWDMY-UHFFFAOYSA-N 1 0 574.611 5.138 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(OCCC4CCCCC4)cc3)n2)cc1 ZINC000095577684 562771085 /nfs/dbraw/zinc/77/10/85/562771085.db2.gz XXQXCGRKMPAJHG-UHFFFAOYSA-N 1 0 502.703 7.265 1 0 KKAFRO COc1ccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)cc1OC ZINC000095578357 562771244 /nfs/dbraw/zinc/77/12/44/562771244.db2.gz PFHADHZVZJHAFZ-UHFFFAOYSA-N 1 0 591.748 8.809 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095579675 562771607 /nfs/dbraw/zinc/77/16/07/562771607.db2.gz AVJLFUWVJXKCKU-LDENZZFPSA-N 1 0 545.083 5.407 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 ZINC000095579837 562771681 /nfs/dbraw/zinc/77/16/81/562771681.db2.gz AESXAJXKMUNYJP-ZWFIUULVSA-N 1 0 638.843 5.001 1 0 in-man KKAFRO COCCCOc1cc(CN(C[C@@H]2C[NH2+]C[C@@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000095581315 562772144 /nfs/dbraw/zinc/77/21/44/562772144.db2.gz WKIAMHCWMIABDD-UIOOFZCWSA-N 1 0 509.090 5.849 1 0 KKAFRO CCCCOc1ccc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095581533 562772246 /nfs/dbraw/zinc/77/22/46/562772246.db2.gz ALDQIEGFJTXBRP-UHFFFAOYSA-N 1 0 532.681 6.514 1 0 KKAFRO C[N@@H+]1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095586901 562774105 /nfs/dbraw/zinc/77/41/05/562774105.db2.gz XOFOWYPZUOEZJF-DCCHFUKUSA-N 1 0 524.595 6.587 1 0 KKAFRO Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587342 562774257 /nfs/dbraw/zinc/77/42/57/562774257.db2.gz LCSSDHOWSYPALV-UHFFFAOYSA-N 1 0 622.832 10.903 1 0 KKAFRO CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NCCC[NH+](C)C)n2)s1 ZINC000095588016 562774485 /nfs/dbraw/zinc/77/44/85/562774485.db2.gz GIHLWYFACNOAGB-UHFFFAOYSA-N 1 0 554.717 5.694 1 0 KKAFRO CCCN(CCC)C(=O)c1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000095590916 562775394 /nfs/dbraw/zinc/77/53/94/562775394.db2.gz GAEGPHGJKNARQE-NRSKXHDUSA-N 1 0 515.698 5.002 1 0 KKAFRO CCc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c(C)[nH]nc21 ZINC000095591010 562775432 /nfs/dbraw/zinc/77/54/32/562775432.db2.gz BMBUNRAVRJCKBO-MGBGTMOVSA-N 1 0 654.860 5.043 1 0 KKAFRO Cn1cc(-c2ccc(CN3c4ccccc4[C@]4(CC[N@@H+](C5CCCC5)C4)C3=O)c(F)c2)c(C(F)(F)F)n1 ZINC000095592078 562775808 /nfs/dbraw/zinc/77/58/08/562775808.db2.gz YLLKPXACGBRZJC-HHHXNRCGSA-N 1 0 512.551 5.678 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CCC[NH2+]C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596683 562777065 /nfs/dbraw/zinc/77/70/65/562777065.db2.gz ICRRWZRNMZYMSI-NRFANRHFSA-N 1 0 518.610 5.166 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+]4CCCCC4)c(C)c3oc2=O)ccc1O ZINC000095598135 562777314 /nfs/dbraw/zinc/77/73/14/562777314.db2.gz FEBDYKHYYUVBLJ-UHFFFAOYSA-N 1 0 504.627 5.823 1 0 KKAFRO Brc1ccc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000095598683 562777463 /nfs/dbraw/zinc/77/74/63/562777463.db2.gz KEUVTKFAUZVITM-UHFFFAOYSA-N 1 0 574.526 7.982 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095598950 562777673 /nfs/dbraw/zinc/77/76/73/562777673.db2.gz NGSMHOKAGHIENU-GLPSKGHJSA-N 1 0 623.839 5.463 1 0 KKAFRO COc1ccc(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 ZINC000095598994 562777699 /nfs/dbraw/zinc/77/76/99/562777699.db2.gz LFZLAWVTNRSJHJ-HJBDBDOVSA-N 1 0 735.866 6.442 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095599419 562778057 /nfs/dbraw/zinc/77/80/57/562778057.db2.gz RXIJSVCALBVVES-BEAGFIRGSA-N 1 0 706.733 6.722 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600125 562778617 /nfs/dbraw/zinc/77/86/17/562778617.db2.gz RBOAJFBNHJWMOW-GMERYBDXSA-N 1 0 684.800 7.277 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095600142 562778634 /nfs/dbraw/zinc/77/86/34/562778634.db2.gz CHFYKRHHVBHPRB-QZCKSCMDSA-N 1 0 685.693 7.565 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095600547 562779008 /nfs/dbraw/zinc/77/90/08/562779008.db2.gz RZMKFQMJULYPIX-DXZWXPFGSA-N 1 0 657.833 5.444 1 0 KKAFRO C[NH+](C)CCCCC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)c1 ZINC000095602642 562780156 /nfs/dbraw/zinc/78/01/56/562780156.db2.gz PJEIORHBQLYUQM-HHHXNRCGSA-N 1 0 549.675 6.373 1 0 KKAFRO 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 ZINC000095603681 562780604 /nfs/dbraw/zinc/78/06/04/562780604.db2.gz FDDMFJKLVOMWML-ZCKQCUHLSA-N 1 0 703.683 7.704 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095603717 562780664 /nfs/dbraw/zinc/78/06/64/562780664.db2.gz FDAULICGQFNBRP-BXOOBUKZSA-N 1 0 540.626 5.862 1 0 KKAFRO Cc1cc(C(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095604549 562781034 /nfs/dbraw/zinc/78/10/34/562781034.db2.gz UFJFLQUSVAOZJI-OQIQTSLJSA-N 1 0 611.743 5.125 1 0 KKAFRO 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 ZINC000095604586 562781099 /nfs/dbraw/zinc/78/10/99/562781099.db2.gz UIKXZKCHSBRXDR-VUYBWUDLSA-N 1 0 705.840 6.434 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604571 562781131 /nfs/dbraw/zinc/78/11/31/562781131.db2.gz VEYXNSARLJIJRR-FBTROWELSA-N 1 0 684.800 7.277 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095605095 562781397 /nfs/dbraw/zinc/78/13/97/562781397.db2.gz CHFYKRHHVBHPRB-NAJARDBOSA-N 1 0 685.693 7.565 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095605442 562781594 /nfs/dbraw/zinc/78/15/94/562781594.db2.gz FKBDGSUSUALVGO-RCFCZGBRSA-N 1 0 674.842 6.433 1 0 KKAFRO 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)CCC(F)(F)F)cc2C1=O ZINC000095605713 562781676 /nfs/dbraw/zinc/78/16/76/562781676.db2.gz DQMSHBPWTQYHPD-QMXNRGECSA-N 1 0 690.631 7.202 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782758 /nfs/dbraw/zinc/78/27/58/562782758.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 1 0 512.698 5.149 1 0 KKAFRO O=C(CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000095607588 562782867 /nfs/dbraw/zinc/78/28/67/562782867.db2.gz SWTISRNMYPIMHN-BYIQVRNLSA-N 1 0 785.908 6.681 1 0 KKAFRO Cc1cc(C)n2ncc(C3CC[NH+](C[C@H]4C[N@@H+]([C@H](CC5CCC5)C(=O)[O-])C[C@@H]4c4cccc(F)c4)CC3)c2n1 ZINC000095607695 562783031 /nfs/dbraw/zinc/78/30/31/562783031.db2.gz DGTIAKQTRLSQQA-RFYMFKDESA-N 1 0 533.692 5.024 1 0 KKAFRO CC(C)N1C[C@@H](C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665585 562788188 /nfs/dbraw/zinc/78/81/88/562788188.db2.gz DDRAIKDBHFHCOA-WMZHIEFXSA-N 1 0 507.034 5.292 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000095608708 562783671 /nfs/dbraw/zinc/78/36/71/562783671.db2.gz OSTNHMODDQIWKV-WBCKFURZSA-N 1 0 757.936 5.794 1 0 KKAFRO CSCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095610072 562784173 /nfs/dbraw/zinc/78/41/73/562784173.db2.gz IBZUVHOHXHJQME-UWXQCODUSA-N 1 0 821.822 8.158 1 0 KKAFRO CC(C)N1C[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665568 562788170 /nfs/dbraw/zinc/78/81/70/562788170.db2.gz ZOJYMANGPPSVIB-HXUWFJFHSA-N 1 0 527.452 5.384 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666455 562788214 /nfs/dbraw/zinc/78/82/14/562788214.db2.gz RZBAHHBRQVWZMS-KAUPTSPVSA-N 1 0 617.790 7.128 1 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@H+](Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680113 562788334 /nfs/dbraw/zinc/78/83/34/562788334.db2.gz GFBOARZMZBDAJD-ISTJGCCRSA-N 1 0 573.738 5.286 1 0 KKAFRO COc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC[C@H]1C ZINC000095680355 562788341 /nfs/dbraw/zinc/78/83/41/562788341.db2.gz DKEIESBWASZHQX-CEFNRUSXSA-N 1 0 590.721 5.354 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095754506 562788864 /nfs/dbraw/zinc/78/88/64/562788864.db2.gz NNHYDAJISGOSNF-CGQTXMLISA-N 1 0 654.151 5.441 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095776265 562789080 /nfs/dbraw/zinc/78/90/80/562789080.db2.gz BYLIWFZGYMHZPB-AWYDNWMNSA-N 1 0 674.764 7.297 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809835 562789254 /nfs/dbraw/zinc/78/92/54/562789254.db2.gz AOGINIYPPPQZNW-PJZRLIRTSA-N 1 0 702.856 5.546 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095860327 562789703 /nfs/dbraw/zinc/78/97/03/562789703.db2.gz KVUBTNFMPQUODB-LFQYBHLRSA-N 1 0 574.766 5.092 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872168 562790005 /nfs/dbraw/zinc/79/00/05/562790005.db2.gz OBJZWXNARBCFCY-ZOYWYXQUSA-N 1 0 603.723 6.971 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1 ZINC000096167814 562790554 /nfs/dbraw/zinc/79/05/54/562790554.db2.gz KLRTZDQJGONMMK-UHFFFAOYSA-N 1 0 505.066 5.876 1 0 KKAFRO Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(C(=O)N(C)CC[NH+]4CCCC4)cc3)nc12 ZINC000096167825 562790666 /nfs/dbraw/zinc/79/06/66/562790666.db2.gz XLGZSWRWVOETRG-UHFFFAOYSA-N 1 0 535.023 5.410 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1 ZINC000096172262 562791311 /nfs/dbraw/zinc/79/13/11/562791311.db2.gz FKHGTMQRLLWPJO-FNORWQNLSA-N 1 0 521.046 5.022 1 0 KKAFRO COc1ccc(CCNC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1OC ZINC000096174102 562791682 /nfs/dbraw/zinc/79/16/82/562791682.db2.gz PQZRUNJGCQQRNT-UHFFFAOYSA-N 1 0 630.753 5.577 1 0 KKAFRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174103 562791731 /nfs/dbraw/zinc/79/17/31/562791731.db2.gz JOFMDOINPOMIBP-UHFFFAOYSA-N 1 0 556.674 6.148 1 0 KKAFRO CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174206 562791809 /nfs/dbraw/zinc/79/18/09/562791809.db2.gz UHRFQLODOGBNCC-BHVANESWSA-N 1 0 647.780 5.888 1 0 KKAFRO C[NH2+][C@@H]1C[C@@H](C(=O)N2CCC(c3nc(C)nn3-c3ccc(Cl)c(C)c3)CC2)[C@H](c2ccc(F)cc2F)C1 ZINC000096175693 562791850 /nfs/dbraw/zinc/79/18/50/562791850.db2.gz BMPQGLOKVFESSV-NKKJXINNSA-N 1 0 528.047 5.304 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCC(N)=O)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177923 562792480 /nfs/dbraw/zinc/79/24/80/562792480.db2.gz AVRZUHVLJADOIN-UHFFFAOYSA-N 1 0 648.834 5.481 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269485 562792954 /nfs/dbraw/zinc/79/29/54/562792954.db2.gz QGSCRRBPBVMEHM-AREMUKBSSA-N 1 0 642.772 7.789 1 0 KKAFRO CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CC[NH2+]CC1 ZINC000096270384 562793202 /nfs/dbraw/zinc/79/32/02/562793202.db2.gz HPHUDNTXCKTLNK-SZAHLOSFSA-N 1 0 607.626 7.608 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3c(Cl)cccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270747 562793336 /nfs/dbraw/zinc/79/33/36/562793336.db2.gz UNUOJJJJMNFSAC-UHFFFAOYSA-N 1 0 742.635 8.688 1 0 KKAFRO O=c1cc(-c2ccccc2)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096270832 562793403 /nfs/dbraw/zinc/79/34/03/562793403.db2.gz GKSPYGYNVWVOQQ-UHFFFAOYSA-N 1 0 512.581 6.779 1 0 KKAFRO O=C(CN1CC[NH+](CCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271840 562793939 /nfs/dbraw/zinc/79/39/39/562793939.db2.gz GRAHOHOHWNFDDR-UHFFFAOYSA-N 1 0 554.691 5.025 1 0 KKAFRO Cc1cnc(Nc2cc(C)c(C3CC[NH2+]CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C ZINC000096272792 562794272 /nfs/dbraw/zinc/79/42/72/562794272.db2.gz RCSMIXJVDRCRBA-UHFFFAOYSA-N 1 0 537.730 6.017 1 0 KKAFRO CC[C@@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096273055 562794364 /nfs/dbraw/zinc/79/43/64/562794364.db2.gz RSBGPRGRBPDFBV-LJQANCHMSA-N 1 0 504.393 6.174 1 0 KKAFRO C[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Br)ccc(F)c1Cl ZINC000096273087 562794419 /nfs/dbraw/zinc/79/44/19/562794419.db2.gz WZTDRWQMUGYQEG-LBPRGKRZSA-N 1 0 534.817 5.893 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000096284305 562795085 /nfs/dbraw/zinc/79/50/85/562795085.db2.gz WUCFDYBBGRXJRM-VTZPFEBOSA-N 1 0 546.983 7.466 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000096285372 562795559 /nfs/dbraw/zinc/79/55/59/562795559.db2.gz VXUHJSADHJEBBJ-RBTNQOKQSA-N 1 0 567.178 5.531 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000096285411 562795618 /nfs/dbraw/zinc/79/56/18/562795618.db2.gz KOCOTUUHHFPNEF-LYZGTLIUSA-N 1 0 567.178 5.531 1 0 KKAFRO C[C@H](Sc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285927 562795955 /nfs/dbraw/zinc/79/59/55/562795955.db2.gz ALLJSFCMQLLPLN-SFHVURJKSA-N 1 0 573.565 7.330 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2ccccc2)CC1 ZINC000096302065 562796265 /nfs/dbraw/zinc/79/62/65/562796265.db2.gz AEIOWUHRHMTSSU-QTKNLHBISA-N 1 0 528.741 5.498 1 0 KKAFRO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 562797308 /nfs/dbraw/zinc/79/73/08/562797308.db2.gz HGNGRWBMZSEYMD-TWJUONSBSA-N 1 0 504.718 7.208 1 0 KKAFRO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 562797332 /nfs/dbraw/zinc/79/73/32/562797332.db2.gz HGNGRWBMZSEYMD-UZNNEEJFSA-N 1 0 504.718 7.208 1 0 KKAFRO CNC(=O)C1(N2CCCNC2=O)CC[NH+](CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096903715 562798015 /nfs/dbraw/zinc/79/80/15/562798015.db2.gz SBWVQUJROUKKHI-RUZDIDTESA-N 1 0 624.613 5.388 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908948 562799477 /nfs/dbraw/zinc/79/94/77/562799477.db2.gz SODGLPCOTZQDMD-UHFFFAOYSA-N 1 0 624.811 7.670 1 0 KKAFRO CC(C)[C@@H](C[N@@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000096909603 562799619 /nfs/dbraw/zinc/79/96/19/562799619.db2.gz MMTMYODLXHKBCI-RBTNQOKQSA-N 1 0 552.513 5.912 1 0 KKAFRO CSc1nc2c(cnn2C[C@@H](C)c2ccccc2)c(N(C(=O)OCCN2CC[NH+](C)CC2)c2cccc(Br)c2)n1 ZINC000096916883 562801255 /nfs/dbraw/zinc/80/12/55/562801255.db2.gz MVGQVUFEKIVQTO-OAQYLSRUSA-N 1 0 624.609 5.637 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(F)cc32)cc1F ZINC000096923709 562802133 /nfs/dbraw/zinc/80/21/33/562802133.db2.gz JOVWHEAGFGXIPE-UHFFFAOYSA-N 1 0 660.721 8.646 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923973 562802216 /nfs/dbraw/zinc/80/22/16/562802216.db2.gz PLLWOIRCBAIRMF-PMERELPUSA-N 1 0 567.199 5.532 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1F ZINC000096927183 562802622 /nfs/dbraw/zinc/80/26/22/562802622.db2.gz FWSOMCKKEFHCLY-UHFFFAOYSA-N 1 0 725.648 10.204 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000096928320 562802877 /nfs/dbraw/zinc/80/28/77/562802877.db2.gz QTNCCBNVGSFFAJ-UHFFFAOYSA-N 1 0 601.122 6.619 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932318 562803347 /nfs/dbraw/zinc/80/33/47/562803347.db2.gz JHPYVZOWKUWFIK-UHFFFAOYSA-N 1 0 610.661 7.493 1 0 KKAFRO COc1ccc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2-c2nnc(SC(C)C)n2-c2ccccc2)cc1 ZINC000096933344 562803588 /nfs/dbraw/zinc/80/35/88/562803588.db2.gz OBFYQKVUVRGUIY-UHFFFAOYSA-N 1 0 515.658 6.364 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000096937793 562804327 /nfs/dbraw/zinc/80/43/27/562804327.db2.gz OYNMESIRAARXLI-PSUQPPDWSA-N 1 0 605.461 7.965 1 0 KKAFRO c1ccc2[nH]c(S[C@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938109 562804420 /nfs/dbraw/zinc/80/44/20/562804420.db2.gz PANZHNDUZIZCQS-PMERELPUSA-N 1 0 513.707 7.250 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Br)cc1 ZINC000096939387 562804745 /nfs/dbraw/zinc/80/47/45/562804745.db2.gz NPWKFVGMLLDHKU-SANMLTNESA-N 1 0 643.957 6.196 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(OC)c4)CC3)c2)C1C(=O)OC ZINC000098068152 562805143 /nfs/dbraw/zinc/80/51/43/562805143.db2.gz DSPDGDMAZIXKIV-RFRSNRLQSA-N 1 0 590.721 5.508 1 0 KKAFRO O=c1c2ccccc2nc(-c2sc(N3CC[NH2+]CC3)nc2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000098084253 562805653 /nfs/dbraw/zinc/80/56/53/562805653.db2.gz PEBOJABTOMDBPE-UHFFFAOYSA-N 1 0 500.027 5.239 1 0 KKAFRO Cc1ccc(N2N=[O+]C(=O)C2c2nn3cc(-c4cc5cc(Br)ccc5oc4=O)nc3s2)cc1 ZINC000098085237 562805793 /nfs/dbraw/zinc/80/57/93/562805793.db2.gz KHASVMZNCCYFKT-UHFFFAOYSA-O 1 0 523.348 5.068 1 0 KKAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)cc3)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1 ZINC000098185579 562805909 /nfs/dbraw/zinc/80/59/09/562805909.db2.gz CDFDOIXXKWUXHL-UHFFFAOYSA-N 1 0 514.714 5.728 1 0 KKAFRO C[NH+](C)Cc1ccc(C=Cc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC(F)F)cc45)ccc23)cc1 ZINC000098184816 562805911 /nfs/dbraw/zinc/80/59/11/562805911.db2.gz JILOKERUAWMFHD-ZYHKEOPXSA-N 1 0 500.549 5.774 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CCN(C(=O)Oc3ccccc3)C=C2)C1C(=O)OCC(C)C ZINC000100050605 562806424 /nfs/dbraw/zinc/80/64/24/562806424.db2.gz JFEJSTCNQWJNJZ-DHJMZRGKSA-N 1 0 508.615 5.947 1 0 KKAFRO CNC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076181 562806577 /nfs/dbraw/zinc/80/65/77/562806577.db2.gz SVPFWIZUSKHHBB-PKQPGRETSA-N 1 0 569.754 5.494 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCC1)C2 ZINC000100076394 562806653 /nfs/dbraw/zinc/80/66/53/562806653.db2.gz WVSHBJDPKPHLGS-GRJQRVBMSA-N 1 0 594.804 6.481 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000100676032 562807246 /nfs/dbraw/zinc/80/72/46/562807246.db2.gz PJDYEXITJCFGTG-MUUNZHRXSA-N 1 0 535.987 9.358 1 0 KKAFRO O=C(NCCC[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)NC2=C(C(=O)OC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000100801394 562808014 /nfs/dbraw/zinc/80/80/14/562808014.db2.gz LUSDCJGCJWYOSQ-LJAQVGFWSA-N 1 0 586.639 5.024 1 0 KKAFRO O=C(NCCC[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)NC2=C(C(=O)OC2)[C@H]1c1ccc(F)c(F)c1 ZINC000100801392 562808035 /nfs/dbraw/zinc/80/80/35/562808035.db2.gz LUSDCJGCJWYOSQ-GDLZYMKVSA-N 1 0 586.639 5.024 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC ZINC000101086018 562809057 /nfs/dbraw/zinc/80/90/57/562809057.db2.gz AEJCTJSNUNXYQL-YHBQERECSA-N 1 0 534.694 5.099 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F ZINC000101086056 562809064 /nfs/dbraw/zinc/80/90/64/562809064.db2.gz LVDRNYWTLKUNNT-MEMLXQNLSA-N 1 0 507.071 5.489 1 0 KKAFRO CCCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3)cc2)c(N)nc1=N ZINC000101113860 562809232 /nfs/dbraw/zinc/80/92/32/562809232.db2.gz XIRZLEUKTCKGIX-UHFFFAOYSA-O 1 0 532.672 5.868 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000101161489 562809551 /nfs/dbraw/zinc/80/95/51/562809551.db2.gz ZSFWWXDTAGTEIQ-UQWUFBTJSA-N 1 0 521.109 6.660 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 ZINC000101193462 562809772 /nfs/dbraw/zinc/80/97/72/562809772.db2.gz DPTAFEGODXQGLH-KUMHGWDASA-N 1 0 513.730 6.055 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101193469 562809810 /nfs/dbraw/zinc/80/98/10/562809810.db2.gz OKYWCZZUCLHFSJ-YHTXFFTCSA-N 1 0 615.744 8.187 1 0 KKAFRO CCN(C(=O)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000101228508 562810060 /nfs/dbraw/zinc/81/00/60/562810060.db2.gz UGRYBQQJOKDQHB-CIXDGQAGSA-N 1 0 517.714 5.129 1 0 KKAFRO [NH2+]=C1Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3 ZINC000101344258 562810362 /nfs/dbraw/zinc/81/03/62/562810362.db2.gz YRZGWNOJFXJXID-HKBQPEDESA-N 1 0 528.741 7.077 1 0 KKAFRO CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCC[NH+](C)C)C(C)=O)cc1)c1ccccc1 ZINC000101372843 562810458 /nfs/dbraw/zinc/81/04/58/562810458.db2.gz CKNHHTRTDCIBGT-FLWNBWAVSA-N 1 0 539.680 5.016 1 0 KKAFRO O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000101372808 562810462 /nfs/dbraw/zinc/81/04/62/562810462.db2.gz XCTSRJVVXIFQKA-KARKAFJISA-N 1 0 542.683 6.535 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000101600798 562811382 /nfs/dbraw/zinc/81/13/82/562811382.db2.gz GMZOGMORLAJOAZ-YIOBJHAYSA-N 1 0 530.709 5.894 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCC[N@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645501 562811518 /nfs/dbraw/zinc/81/15/18/562811518.db2.gz BGWJXKZYWIIMQN-YADHBBJMSA-N 1 0 544.614 6.139 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645128 562811520 /nfs/dbraw/zinc/81/15/20/562811520.db2.gz GJLNDEKDUVZOPE-NHCUHLMSSA-N 1 0 561.506 6.011 1 0 KKAFRO CC(C)[NH+]1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696234 562811816 /nfs/dbraw/zinc/81/18/16/562811816.db2.gz KERUUMIVCIEOOT-UHFFFAOYSA-N 1 0 583.754 6.069 1 0 KKAFRO O=C(CC[NH2+]C[C@@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696472 562811920 /nfs/dbraw/zinc/81/19/20/562811920.db2.gz FPFNNAWUJOGCJI-NRFANRHFSA-N 1 0 583.710 5.762 1 0 KKAFRO CN(CC[NH+](C)C)CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696518 562811938 /nfs/dbraw/zinc/81/19/38/562811938.db2.gz XXEVLGQCLWVRRA-UHFFFAOYSA-N 1 0 570.715 5.096 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696567 562811947 /nfs/dbraw/zinc/81/19/47/562811947.db2.gz UWAATOBVVDUPGJ-UHFFFAOYSA-N 1 0 567.711 6.479 1 0 KKAFRO O=C(C[NH+]1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696536 562811955 /nfs/dbraw/zinc/81/19/55/562811955.db2.gz REVMVJOOBVUMAH-UHFFFAOYSA-N 1 0 567.711 6.479 1 0 KKAFRO COc1ccc(OC)c(-c2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4nc2-3)c1 ZINC000101797034 562812157 /nfs/dbraw/zinc/81/21/57/562812157.db2.gz DSSCFCVACIIGBB-UHFFFAOYSA-N 1 0 520.633 5.746 1 0 KKAFRO [O-][n+]1ccc2c3ccccc3[nH]c2c1C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@@]1(C3)CC/C=C\CCCC[NH2+][C@H]12 ZINC000102157460 562812794 /nfs/dbraw/zinc/81/27/94/562812794.db2.gz WLAKKZBRRAGCTQ-GSXVTLMESA-N 1 0 566.790 6.390 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3SC=CN3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929150 562813533 /nfs/dbraw/zinc/81/35/33/562813533.db2.gz XRLXAIBHEHFVBX-PGSXWIQSSA-N 1 0 505.640 5.325 1 0 KKAFRO O=c1[nH]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201553 562816118 /nfs/dbraw/zinc/81/61/18/562816118.db2.gz FUHFWCJOWKLAHZ-JTSJOTPCSA-N 1 0 629.592 7.674 1 0 KKAFRO CSc1ccc(/C=C2\c3ccc(F)cc3C(CC(=O)NCCOC(=O)Nc3c[n+](-c4ccccc4)no3)=C2C)cc1 ZINC000103225328 562817654 /nfs/dbraw/zinc/81/76/54/562817654.db2.gz JAYMDGPQAYAGPO-QQXSKIMKSA-O 1 0 571.654 5.317 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228623 562817991 /nfs/dbraw/zinc/81/79/91/562817991.db2.gz QCIAAKLJZYOWPJ-UHFFFAOYSA-N 1 0 521.614 5.475 1 0 KKAFRO Fc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230112 562818132 /nfs/dbraw/zinc/81/81/32/562818132.db2.gz MEIKWAUCZKJDPF-MSPUWCJJSA-N 1 0 520.460 7.532 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1 ZINC000103233594 562818465 /nfs/dbraw/zinc/81/84/65/562818465.db2.gz FDCUCZZKNTVJSB-UHFFFAOYSA-N 1 0 552.641 7.761 1 0 KKAFRO CCN(CCc1ccc(Cl)cc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234264 562818603 /nfs/dbraw/zinc/81/86/03/562818603.db2.gz MKUVVYNGAHEZLC-UHFFFAOYSA-N 1 0 615.646 5.778 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234829 562818672 /nfs/dbraw/zinc/81/86/72/562818672.db2.gz DMPWIWPBMBPTAD-YHTXFFTCSA-N 1 0 567.177 7.430 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103235739 562818724 /nfs/dbraw/zinc/81/87/24/562818724.db2.gz QXTAYJOITNMSIV-KUMHGWDASA-N 1 0 563.186 7.525 1 0 KKAFRO Cc1cnc(Nc2ccc(C(=O)Nc3ccccc3CN3CC[NH+](C)CC3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241201 562819535 /nfs/dbraw/zinc/81/95/35/562819535.db2.gz UDIIBJYQANEXKE-UHFFFAOYSA-N 1 0 576.623 6.094 1 0 KKAFRO C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32CC[NH+](C)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243210 562819649 /nfs/dbraw/zinc/81/96/49/562819649.db2.gz USZCHXCWTFDLQZ-CYBMUJFWSA-N 1 0 516.404 5.227 1 0 KKAFRO C[C@@H](Oc1nc(-c2ccc3c(c2)C2(CC[NH+](C)CC2)C(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243213 562819668 /nfs/dbraw/zinc/81/96/68/562819668.db2.gz VSCMVODYCSPQLT-CYBMUJFWSA-N 1 0 516.404 5.227 1 0 KKAFRO O=[S@@](CC[NH2+]CCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246696 562819935 /nfs/dbraw/zinc/81/99/35/562819935.db2.gz DNZVFEURSMOPDR-GDLZYMKVSA-N 1 0 535.345 6.272 1 0 KKAFRO CC[NH+](CC)CCN(C)C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000103253636 562820584 /nfs/dbraw/zinc/82/05/84/562820584.db2.gz JEBVEZSMXJHGOF-SFHVURJKSA-N 1 0 531.032 5.139 1 0 KKAFRO O=C(Nc1cnccc1C(F)(F)F)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103260685 562821198 /nfs/dbraw/zinc/82/11/98/562821198.db2.gz ZAGHGMYGYHVAMC-UHFFFAOYSA-N 1 0 530.978 6.676 1 0 KKAFRO Cc1ccc(C[NH2+]C2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264914 562822023 /nfs/dbraw/zinc/82/20/23/562822023.db2.gz NCISKEUALDHGBG-UHFFFAOYSA-N 1 0 575.635 7.687 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCC(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265093 562822063 /nfs/dbraw/zinc/82/20/63/562822063.db2.gz LALUMVWWVOZFGT-MHZLTWQESA-N 1 0 502.493 6.184 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000103277458 562823260 /nfs/dbraw/zinc/82/32/60/562823260.db2.gz DBYZLUYCEAGBJM-ZCQGCHJCSA-N 1 0 631.691 6.432 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000103288969 562823990 /nfs/dbraw/zinc/82/39/90/562823990.db2.gz LTZLIPPPJDGWCO-MGBGTMOVSA-N 1 0 598.187 6.336 1 0 KKAFRO O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000103298260 562824811 /nfs/dbraw/zinc/82/48/11/562824811.db2.gz YDZPZHJIXIXGEU-MVJHLKBCSA-N 1 0 564.711 6.406 1 0 KKAFRO [NH3+][C@H]1CCN(C(=O)CN(CC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc(Oc3ccccc3)c2)C1 ZINC000114001561 562826926 /nfs/dbraw/zinc/82/69/26/562826926.db2.gz KHPNQJDXEBEUDN-QFIPXVFZSA-N 1 0 594.556 5.199 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)ccc1O ZINC000114036958 562827162 /nfs/dbraw/zinc/82/71/62/562827162.db2.gz CUEGGHUYFDTDMC-UHFFFAOYSA-N 1 0 522.649 5.700 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114039361 562827393 /nfs/dbraw/zinc/82/73/93/562827393.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N 1 0 538.063 6.629 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000114097106 562827546 /nfs/dbraw/zinc/82/75/46/562827546.db2.gz IWFLCYONAPPRPA-XMMPIXPASA-N 1 0 526.121 5.390 1 0 KKAFRO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000114099415 562827646 /nfs/dbraw/zinc/82/76/46/562827646.db2.gz GWPGARDDTHPRSH-QFIPXVFZSA-N 1 0 501.465 5.117 1 0 KKAFRO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100885 562827786 /nfs/dbraw/zinc/82/77/86/562827786.db2.gz VKAMGQWMKDQIKE-HSZRJFAPSA-N 1 0 501.067 5.407 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCC(F)(F)CC4)CC3)no2)cc1 ZINC000114331204 562827948 /nfs/dbraw/zinc/82/79/48/562827948.db2.gz ODKRYHBJLAURJA-UHFFFAOYSA-N 1 0 556.610 5.383 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347516 562828010 /nfs/dbraw/zinc/82/80/10/562828010.db2.gz PDRMIURRJQICEV-SANMLTNESA-N 1 0 544.606 5.288 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccc(Cl)c1 ZINC000114978507 562828574 /nfs/dbraw/zinc/82/85/74/562828574.db2.gz WALPPLJUPQTGIH-AREMUKBSSA-N 1 0 531.505 5.659 1 0 KKAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)Nc1ccccn1 ZINC000114978805 562828586 /nfs/dbraw/zinc/82/85/86/562828586.db2.gz HUFJZENUEXUKST-AREMUKBSSA-N 1 0 512.075 5.255 1 0 KKAFRO COc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980247 562828646 /nfs/dbraw/zinc/82/86/46/562828646.db2.gz IYOCVWKMKBXMFB-HHHXNRCGSA-N 1 0 527.086 5.015 1 0 KKAFRO CCCS(=O)(=O)Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980446 562828652 /nfs/dbraw/zinc/82/86/52/562828652.db2.gz QKCJTNKROJXRJV-RUZDIDTESA-N 1 0 512.075 5.988 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114981509 562828675 /nfs/dbraw/zinc/82/86/75/562828675.db2.gz ZUNOQVCWMWEUEB-DEOSSOPVSA-N 1 0 503.089 5.068 1 0 KKAFRO COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2C(=O)N(C)C)c(C(F)(F)F)c[nH+]1 ZINC000115618308 562828999 /nfs/dbraw/zinc/82/89/99/562828999.db2.gz NUCHZGVVXZEKRI-UHFFFAOYSA-N 1 0 515.536 5.135 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1=O ZINC000116054033 562829210 /nfs/dbraw/zinc/82/92/10/562829210.db2.gz MHNGQTQATAWOMJ-UHFFFAOYSA-N 1 0 624.761 5.218 1 0 KKAFRO CC[NH+](CC)C1CCN(c2ccc(Nc3ncc4c5cc[nH]c(=O)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117681733 562829803 /nfs/dbraw/zinc/82/98/03/562829803.db2.gz GZANMXDTOGPPAW-UHFFFAOYSA-N 1 0 500.651 5.249 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000138434384 562831864 /nfs/dbraw/zinc/83/18/64/562831864.db2.gz IUKRYJGYICYSFP-UHFFFAOYSA-N 1 0 590.002 5.646 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[NH+](C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960047 562832249 /nfs/dbraw/zinc/83/22/49/562832249.db2.gz PZINVJUNZRLUIM-HKBQPEDESA-N 1 0 547.707 5.856 1 0 KKAFRO CC[NH+](CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)CSC2=O)c1 ZINC000139452556 562832517 /nfs/dbraw/zinc/83/25/17/562832517.db2.gz WVYHFPSGWCCXMO-UHFFFAOYSA-N 1 0 514.648 5.057 1 0 in-vitro KKAFRO [NH3+]C1(c2cc(C(=O)N[C@@H]3CCc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)cc(C(F)(F)F)c2)CCC1 ZINC000139691352 562832758 /nfs/dbraw/zinc/83/27/58/562832758.db2.gz PKHMAUVAHJMDLV-JOCHJYFZSA-N 1 0 550.581 5.403 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@@H]([NH3+])CC3)s1 ZINC000140429230 562833054 /nfs/dbraw/zinc/83/30/54/562833054.db2.gz IDVJVUGYGZHXPO-GMAHTHKFSA-N 1 0 525.523 5.320 1 0 KKAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)C1 ZINC000140604760 562833211 /nfs/dbraw/zinc/83/32/11/562833211.db2.gz ULEOMEGBKHPHCF-OZXSUGGESA-N 1 0 524.725 5.205 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1 ZINC000141318772 562833562 /nfs/dbraw/zinc/83/35/62/562833562.db2.gz AZLUTOKPLNIYBR-HHHXNRCGSA-N 1 0 501.606 6.196 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1 ZINC000141666355 562833746 /nfs/dbraw/zinc/83/37/46/562833746.db2.gz TUTCLMQSHVOKFK-MUUNZHRXSA-N 1 0 529.616 6.090 1 0 KKAFRO Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)c1 ZINC000142206095 562834039 /nfs/dbraw/zinc/83/40/39/562834039.db2.gz QUVIJLUFZZROBR-OFNKIYASSA-N 1 0 525.523 5.320 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)NC)c[nH]2)c1 ZINC000142512370 562834234 /nfs/dbraw/zinc/83/42/34/562834234.db2.gz LMQZDDQSYCTDFJ-HHHXNRCGSA-N 1 0 544.631 5.247 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1sccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000142749110 562834317 /nfs/dbraw/zinc/83/43/17/562834317.db2.gz VJSUXKGZVQRMNW-PIZTWGNASA-N 1 0 507.696 5.110 1 0 KKAFRO CC(C)Nc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000143027922 562834462 /nfs/dbraw/zinc/83/44/62/562834462.db2.gz HVGJZHHGYOCZDF-UHFFFAOYSA-N 1 0 542.651 5.058 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143248878 562834873 /nfs/dbraw/zinc/83/48/73/562834873.db2.gz AYHOCUNWSMDBOV-LEWJYISDSA-N 1 0 511.496 5.012 1 0 KKAFRO NC(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1 ZINC000143454022 562835017 /nfs/dbraw/zinc/83/50/17/562835017.db2.gz KPDREROKASXXSZ-UHFFFAOYSA-N 1 0 509.613 6.320 1 0 KKAFRO C[NH+](C)[C@@H]1CCCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143506209 562835089 /nfs/dbraw/zinc/83/50/89/562835089.db2.gz KVHQBPAYZDWWPB-SSDOTTSWSA-N 1 0 559.926 5.143 1 0 KKAFRO Brc1c2nc(N[C@H]3CCC[NH2+]CC3)[nH]c2c(Br)c(Br)c1Br ZINC000143593522 562835181 /nfs/dbraw/zinc/83/51/81/562835181.db2.gz VCWJSHIRZBPZSU-LURJTMIESA-N 1 0 545.899 5.167 1 0 KKAFRO [NH3+][C@H]1CCC[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143622704 562835197 /nfs/dbraw/zinc/83/51/97/562835197.db2.gz WIIUUFVRSJRGSM-NTSWFWBYSA-N 1 0 545.899 5.295 1 0 KKAFRO Brc1c2nc(Nc3cc[nH+]cc3)[nH]c2c(Br)c(Br)c1Br ZINC000143598441 562835198 /nfs/dbraw/zinc/83/51/98/562835198.db2.gz QJIZZSLYWRJKQT-UHFFFAOYSA-N 1 0 525.824 5.752 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1 ZINC000144381398 562836164 /nfs/dbraw/zinc/83/61/64/562836164.db2.gz SKQONWVDCNGVHE-UHFFFAOYSA-N 1 0 554.094 5.903 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)c(Cl)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144394733 562836186 /nfs/dbraw/zinc/83/61/86/562836186.db2.gz SFPLGZCAHPZDAY-UHFFFAOYSA-N 1 0 568.121 6.212 1 0 KKAFRO COc1cccc2c1OCC[C@]21C[NH2+]C[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@H]1CCCC(F)(F)C1 ZINC000144491563 562836258 /nfs/dbraw/zinc/83/62/58/562836258.db2.gz QDJWLSPATDJTJC-KUVYXZGJSA-N 1 0 524.652 5.535 1 0 KKAFRO CC(C)(C)n1cc(C[NH+]2CCC3(CN(c4ccc(-c5nn[nH]n5)cc4)C(=O)O3)CC2)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144585503 562836455 /nfs/dbraw/zinc/83/64/55/562836455.db2.gz BXXSLIJHVRKSAP-UHFFFAOYSA-N 1 0 583.043 5.408 1 0 KKAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145249806 562836967 /nfs/dbraw/zinc/83/69/67/562836967.db2.gz HUUJXNFSUJYWIH-LJQANCHMSA-N 1 0 584.680 5.091 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000145911965 562837806 /nfs/dbraw/zinc/83/78/06/562837806.db2.gz NQYCKGJPXNFTCR-UHFFFAOYSA-N 1 0 594.764 5.247 1 0 KKAFRO CCc1cc(C(=O)NC2CC[NH+](CC)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145974047 562837901 /nfs/dbraw/zinc/83/79/01/562837901.db2.gz MYRVQOTYHFVQEK-UHFFFAOYSA-N 1 0 567.612 5.937 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146012295 562837937 /nfs/dbraw/zinc/83/79/37/562837937.db2.gz OSBSLPQRYDHUTC-HNNXBMFYSA-N 1 0 619.044 5.664 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000146285518 562838396 /nfs/dbraw/zinc/83/83/96/562838396.db2.gz DBEWFHNIASFCDS-LHEWISCISA-N 1 0 621.760 8.527 1 0 KKAFRO COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000146767415 562838802 /nfs/dbraw/zinc/83/88/02/562838802.db2.gz DWLCBHORSWVXNK-AREMUKBSSA-N 1 0 608.665 5.677 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N[C@@H]2CCN(CCF)C[C@@H]2F)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146826892 562838816 /nfs/dbraw/zinc/83/88/16/562838816.db2.gz UUORNGBCVZGLIB-ZXHRZLIWSA-N 1 0 611.536 5.381 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146854187 562838839 /nfs/dbraw/zinc/83/88/39/562838839.db2.gz CQOOBCLBMYGVDE-LJAQVGFWSA-N 1 0 509.654 6.010 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906273 562838872 /nfs/dbraw/zinc/83/88/72/562838872.db2.gz AEJRFQRMYCKSKQ-QFSFRBPQSA-N 1 0 576.540 5.550 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000146944841 562838931 /nfs/dbraw/zinc/83/89/31/562838931.db2.gz JCYJCYDKQAEPJA-UHFFFAOYSA-N 1 0 616.648 5.149 1 0 KKAFRO Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC([NH+](C)C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146940848 562838955 /nfs/dbraw/zinc/83/89/55/562838955.db2.gz KDDXJHWMRSDOEE-UHFFFAOYSA-N 1 0 509.702 5.381 1 0 KKAFRO CC(C)CC(C)(C)C[C@H]1[N@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147069323 562839144 /nfs/dbraw/zinc/83/91/44/562839144.db2.gz RGGASZWTQWAWAZ-KOXXDOIJSA-N 1 0 626.572 5.250 1 0 KKAFRO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147641617 562839488 /nfs/dbraw/zinc/83/94/88/562839488.db2.gz LVGOHLZRHCXTJK-GSDHBNRESA-N 1 0 523.802 8.923 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N(C)CC[NH+]5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000148064945 562840098 /nfs/dbraw/zinc/84/00/98/562840098.db2.gz TVABHLCYJVTFFA-UHFFFAOYSA-N 1 0 601.033 5.629 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCC[NH+](C)C)nc43)c2)cc1C(F)(F)F ZINC000148079184 562840189 /nfs/dbraw/zinc/84/01/89/562840189.db2.gz LPSZDCSZBJMQPD-UHFFFAOYSA-N 1 0 594.520 5.435 1 0 KKAFRO COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C[NH+]5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148104613 562840208 /nfs/dbraw/zinc/84/02/08/562840208.db2.gz TVVGMFXGGDPBSB-UHFFFAOYSA-N 1 0 594.642 5.421 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148144024 562840290 /nfs/dbraw/zinc/84/02/90/562840290.db2.gz YCSBAESIYSCMCW-UHFFFAOYSA-N 1 0 613.648 6.346 1 0 KKAFRO CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C[NH+]5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148144665 562840295 /nfs/dbraw/zinc/84/02/95/562840295.db2.gz DRMFXMBJFZLEQX-UHFFFAOYSA-N 1 0 578.643 6.185 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148150193 562840339 /nfs/dbraw/zinc/84/03/39/562840339.db2.gz HYDMAOJGEFUZKB-FQEVSTJZSA-N 1 0 623.684 5.189 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148163317 562840395 /nfs/dbraw/zinc/84/03/95/562840395.db2.gz INWNWSXLDSJSKR-UHFFFAOYSA-N 1 0 617.636 5.690 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148167567 562840407 /nfs/dbraw/zinc/84/04/07/562840407.db2.gz WFRCKOGJHOZMMF-UHFFFAOYSA-N 1 0 585.610 5.122 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148171053 562840421 /nfs/dbraw/zinc/84/04/21/562840421.db2.gz LFUHZURAYFMLOU-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N(C)CC[NH+](C)C)nc32)c1 ZINC000148211975 562840575 /nfs/dbraw/zinc/84/05/75/562840575.db2.gz RBPPGVBSNDYMRH-UHFFFAOYSA-N 1 0 542.688 5.028 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148307469 562840974 /nfs/dbraw/zinc/84/09/74/562840974.db2.gz LHJRGUQZWNRWLW-QFIPXVFZSA-N 1 0 594.617 5.887 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@H]3C)n1 ZINC000148438351 562841289 /nfs/dbraw/zinc/84/12/89/562841289.db2.gz GNWXJOMTHJVQCJ-MRXNPFEDSA-N 1 0 573.591 6.053 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(C)=O)n1 ZINC000148452352 562841335 /nfs/dbraw/zinc/84/13/35/562841335.db2.gz GWCCMUMVKPUSTM-UHFFFAOYSA-N 1 0 543.546 5.067 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(Nc3ccccc3)c2)CC1 ZINC000148544262 562841457 /nfs/dbraw/zinc/84/14/57/562841457.db2.gz PNYLFBGVAMZTGS-UHFFFAOYSA-N 1 0 552.629 6.180 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148608461 562841534 /nfs/dbraw/zinc/84/15/34/562841534.db2.gz LFZMHPBICVCVNB-DEOSSOPVSA-N 1 0 512.094 5.000 1 0 KKAFRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000148612700 562841545 /nfs/dbraw/zinc/84/15/45/562841545.db2.gz IETSSHMCIVYCEF-QFIPXVFZSA-N 1 0 517.066 5.025 1 0 KKAFRO COc1cc(OC2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148748860 562841736 /nfs/dbraw/zinc/84/17/36/562841736.db2.gz LZNLVKVRHVELDP-UHFFFAOYSA-N 1 0 515.982 5.347 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC000148906556 562841971 /nfs/dbraw/zinc/84/19/71/562841971.db2.gz DRYUOJICQGNUEQ-VWLOTQADSA-N 1 0 510.122 5.920 1 0 KKAFRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148941615 562841983 /nfs/dbraw/zinc/84/19/83/562841983.db2.gz JAIDXTUIPAUCID-QFIPXVFZSA-N 1 0 519.057 5.546 1 0 KKAFRO Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](c4ccncc4)N4CC([NH3+])C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150254847 562843015 /nfs/dbraw/zinc/84/30/15/562843015.db2.gz GRUZNBXOQLIPOX-HEVIKAOCSA-N 1 0 530.672 5.625 1 0 KKAFRO C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1C(=O)C(F)(F)F ZINC000150524465 562843706 /nfs/dbraw/zinc/84/37/06/562843706.db2.gz QNCXHFNMOFGZBZ-PGUFJCEWSA-N 1 0 864.456 8.717 1 0 KKAFRO CC1(C)c2c(ccc3ccccc23)[N+](CCCc2ccccc2)=C1/C=C/C(Cl)=C/C=C1/N(CCCc2ccccc2)c2ccc3ccccc3c2C1(C)C ZINC000150525069 562843744 /nfs/dbraw/zinc/84/37/44/562843744.db2.gz AIPLOPHCBNRGGG-UHFFFAOYSA-N 1 0 726.428 12.995 1 0 KKAFRO O[C@H](COC(c1ccc(Br)cc1)c1ccc(Br)cc1)CN1CC[NH+](C[C@H](O)COC(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000150539882 562844135 /nfs/dbraw/zinc/84/41/35/562844135.db2.gz DYOBYBGEQNJWAA-HEVIKAOCSA-N 1 0 882.326 7.988 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150544941 562844372 /nfs/dbraw/zinc/84/43/72/562844372.db2.gz BPTVPAIPDXNWOJ-NNLNNXSESA-N 1 0 674.311 6.904 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000150546393 562844460 /nfs/dbraw/zinc/84/44/60/562844460.db2.gz QTNSQIABBSIQJF-CKZSISKJSA-N 1 0 733.490 7.696 1 0 KKAFRO O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583503 562845664 /nfs/dbraw/zinc/84/56/64/562845664.db2.gz UFNLUDOAYKNDQW-UVMMSNCQSA-N 1 0 703.696 8.086 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586030 562845813 /nfs/dbraw/zinc/84/58/13/562845813.db2.gz XUEBXQWSAJBKJO-GOJCVTOHSA-N 1 0 741.878 6.253 1 0 KKAFRO COc1ccc([C@@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588785 562845996 /nfs/dbraw/zinc/84/59/96/562845996.db2.gz POYPFFFZHMNIBL-BYYXFNHRSA-N 1 0 771.904 6.261 1 0 KKAFRO COc1ccc([C@@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588791 562846057 /nfs/dbraw/zinc/84/60/57/562846057.db2.gz DEHAHKKDJRYULL-HMIRPBQQSA-N 1 0 801.930 6.270 1 0 KKAFRO NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3cccc(F)c3)c3cccc(F)c3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599783 562847058 /nfs/dbraw/zinc/84/70/58/562847058.db2.gz JKUMLYNPXWSWOT-UHFFFAOYSA-N 1 0 676.211 5.777 1 0 KKAFRO CCOc1ccc(F)c([C@@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c1 ZINC000150601798 562847274 /nfs/dbraw/zinc/84/72/74/562847274.db2.gz VIWQTROPFTYIQX-BVRKHOPBSA-N 1 0 663.772 6.232 1 0 KKAFRO Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150604884 562847696 /nfs/dbraw/zinc/84/76/96/562847696.db2.gz XMLIKLBZSQESMV-SSEXGKCCSA-N 1 0 644.742 7.715 1 0 KKAFRO C[NH+]1CCN(c2cc(F)ccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606255 562847883 /nfs/dbraw/zinc/84/78/83/562847883.db2.gz JQVJIZRMTCKEHP-VBTAUBHQSA-N 1 0 664.892 5.428 1 0 KKAFRO CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1cccc(F)c1N1CC[NH+](C(C)(C)C)CC1 ZINC000150606297 562847920 /nfs/dbraw/zinc/84/79/20/562847920.db2.gz CWVIRPPISINNPT-BNHMMOKISA-N 1 0 706.973 6.596 1 0 KKAFRO CC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC[NH2+]C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000163645647 562849400 /nfs/dbraw/zinc/84/94/00/562849400.db2.gz ZDERXPIAFXXKIC-AABGSDEHSA-N 1 0 675.633 5.673 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)NC2(C(=O)N[C@H](CC[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)Cc3ccccc3)CC[NH+](C)CC2)cs1 ZINC000164723318 562849673 /nfs/dbraw/zinc/84/96/73/562849673.db2.gz PFESJDCERSQSIQ-ROJLCIKYSA-N 1 0 746.016 6.374 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N(C)C[C@@H]6CCCCO6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000165274847 562850039 /nfs/dbraw/zinc/85/00/39/562850039.db2.gz IQMFRUIPMLJURU-MHZLTWQESA-N 1 0 663.749 5.890 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CCCC4)CC3)nc12 ZINC000166141074 562850358 /nfs/dbraw/zinc/85/03/58/562850358.db2.gz DJEGHVWVSPTKPW-UHFFFAOYSA-N 1 0 591.642 5.390 1 0 KKAFRO COc1c(C[NH2+]C(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc32)c1 ZINC000166222645 562850407 /nfs/dbraw/zinc/85/04/07/562850407.db2.gz FWOQUKAPPOUUSZ-NRFANRHFSA-N 1 0 612.632 5.798 1 0 KKAFRO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000166834546 562850527 /nfs/dbraw/zinc/85/05/27/562850527.db2.gz NTXXZFLBCFFKHC-UHFFFAOYSA-N 1 0 571.664 6.035 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000166980532 562850549 /nfs/dbraw/zinc/85/05/49/562850549.db2.gz GAVSAOOAIYZEHU-AREMUKBSSA-N 1 0 594.613 6.168 1 0 KKAFRO CSc1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166983765 562850564 /nfs/dbraw/zinc/85/05/64/562850564.db2.gz WLXXUZBRYVKCGM-UHFFFAOYSA-N 1 0 559.703 5.740 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1nc(Cl)ccc12)N1CC[C@@]2(C=Cc3ccccc32)C[C@H]1c1ccccc1 ZINC000167118200 562850679 /nfs/dbraw/zinc/85/06/79/562850679.db2.gz ZLADFTQKDXFOSW-QEQHDUJYSA-N 1 0 510.081 5.857 1 0 KKAFRO Fc1ccc(-c2cn3c(Cl)cnc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000167078273 562850660 /nfs/dbraw/zinc/85/06/60/562850660.db2.gz DCGNAWAKDKLBPU-UHFFFAOYSA-N 1 0 565.056 6.416 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6cc(Cl)ccn6)[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167267869 562850692 /nfs/dbraw/zinc/85/06/92/562850692.db2.gz VWZSIMYOKHKOPH-UHFFFAOYSA-N 1 0 598.061 6.258 1 0 KKAFRO Fc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000167243729 562850720 /nfs/dbraw/zinc/85/07/20/562850720.db2.gz JCOLZBRYWHHJDN-UHFFFAOYSA-N 1 0 502.597 6.458 1 0 KKAFRO Cc1csc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4CN4CCOCC4)c3)CC2)n1 ZINC000167365264 562850776 /nfs/dbraw/zinc/85/07/76/562850776.db2.gz BIEGUOUGXUGXQL-IDXOVHGGSA-N 1 0 755.961 5.930 1 0 KKAFRO CC1(C)Cc2cc(/C=C/C(=O)N3CCC([C@@H]([NH2+]C4CCC(c5c[nH]c6ccccc65)CC4)C(N)=O)CC3)ccc2O1 ZINC000167773526 562851061 /nfs/dbraw/zinc/85/10/61/562851061.db2.gz GGIPSJODRAGBRA-GLADHXSMSA-N 1 0 554.735 5.303 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000168018052 562851227 /nfs/dbraw/zinc/85/12/27/562851227.db2.gz KDXMKTNMKGKCQD-CYBGMGPVSA-N 1 0 557.617 5.480 1 0 KKAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1nc(-c3ccc(Cl)cc3)cs1)C21CC1 ZINC000168349076 562851288 /nfs/dbraw/zinc/85/12/88/562851288.db2.gz BTXHVXZYPFMNGF-CBJLPSGESA-N 1 0 525.118 5.223 1 0 KKAFRO CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)[C@@]2(C)CC[N@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000169291670 562851944 /nfs/dbraw/zinc/85/19/44/562851944.db2.gz IATVSUKLTYITSF-ZRIXGVMGSA-N 1 0 536.760 7.048 1 0 KKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000169295662 562852388 /nfs/dbraw/zinc/85/23/88/562852388.db2.gz VXGFPSFJYWTKHV-MUAVYFROSA-N 1 0 741.604 8.313 1 0 KKAFRO COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@@H]([NH2+]CCNc5ccnc6cc(Cl)ccc65)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000169302205 562853017 /nfs/dbraw/zinc/85/30/17/562853017.db2.gz KRNXBGIVMRDNEB-RCLOLQKESA-N 1 0 710.356 7.590 1 0 KKAFRO CCC[NH2+]Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306762 562853581 /nfs/dbraw/zinc/85/35/81/562853581.db2.gz UUMYQNVYGOHEEZ-UHFFFAOYSA-N 1 0 536.679 5.461 1 0 KKAFRO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310149 562854682 /nfs/dbraw/zinc/85/46/82/562854682.db2.gz UWULGUFSFZJDEY-BKZGZDJESA-N 1 0 580.685 5.231 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(NC2CCCC2)nc1 ZINC000169311251 562855123 /nfs/dbraw/zinc/85/51/23/562855123.db2.gz JXOIGPHKYOVJJX-UHFFFAOYSA-N 1 0 595.670 5.410 1 0 KKAFRO CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000169311330 562855137 /nfs/dbraw/zinc/85/51/37/562855137.db2.gz OZBXXFLHXNPSFR-UHFFFAOYSA-N 1 0 586.391 6.836 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312245 562855306 /nfs/dbraw/zinc/85/53/06/562855306.db2.gz CJPDGBBUNPXIKE-BVRKHOPBSA-N 1 0 528.718 7.244 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(NC(=O)c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn2C)cc1 ZINC000169312772 562855410 /nfs/dbraw/zinc/85/54/10/562855410.db2.gz XYDZKGIDCAIXFJ-UHFFFAOYSA-N 1 0 533.072 6.896 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CCC ZINC000169312778 562855413 /nfs/dbraw/zinc/85/54/13/562855413.db2.gz FVKKZDJZNSKWHV-UHFFFAOYSA-N 1 0 633.233 8.948 1 0 KKAFRO CCCCn1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cc1C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000169312782 562855487 /nfs/dbraw/zinc/85/54/87/562855487.db2.gz ONCCPCOYOUOACV-UHFFFAOYSA-N 1 0 575.153 8.159 1 0 KKAFRO CC[C@@H]1C[NH+]2CC[C@]34c5cccc(O)c5N(C(C)=O)[C@H]3[C@H]([C@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CC[N@H+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169317764 562856008 /nfs/dbraw/zinc/85/60/08/562856008.db2.gz AKCFIRYWUGECQV-KEQLWDECSA-N 1 0 634.865 5.348 1 0 KKAFRO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317797 562856047 /nfs/dbraw/zinc/85/60/47/562856047.db2.gz DPSGNGUIODYZLY-SHQCIBLASA-N 1 0 501.545 5.790 1 0 KKAFRO COc1ccc(/C=C/c2cc(C(C)(C)C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)c2)cc1Br ZINC000169318858 562856111 /nfs/dbraw/zinc/85/61/11/562856111.db2.gz FGCPTZCWWKCZOZ-VDZCTEQFSA-N 1 0 546.590 7.351 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322867 562856882 /nfs/dbraw/zinc/85/68/82/562856882.db2.gz YWCRCVGXXDJBEW-UHFFFAOYSA-N 1 0 640.272 8.426 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325212 562857591 /nfs/dbraw/zinc/85/75/91/562857591.db2.gz QUENBTRQOPYVCF-UHFFFAOYSA-N 1 0 576.829 9.437 1 0 KKAFRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)Nc3ccc4nc(NC(=O)C5CCCC5)sc4c3)C2)c2ccccc12 ZINC000169327432 562858080 /nfs/dbraw/zinc/85/80/80/562858080.db2.gz KEZYROOAEZNJNQ-GGAORHGYSA-N 1 0 556.732 6.874 1 0 KKAFRO O=C(Nc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2)cs1)C1CCCC1 ZINC000169327480 562858113 /nfs/dbraw/zinc/85/81/13/562858113.db2.gz HUZOFRRPVGRLOI-LMSSTIIKSA-N 1 0 552.744 7.379 1 0 KKAFRO O=C(Nc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5n4)C3)sc2c1)C1CCCC1 ZINC000169327471 562858127 /nfs/dbraw/zinc/85/81/27/562858127.db2.gz WGYNPZOCGOXARY-YADHBBJMSA-N 1 0 527.694 6.260 1 0 KKAFRO CCCCCCC(=O)Sc1nc2ccccc2n1C1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000169330285 562858675 /nfs/dbraw/zinc/85/86/75/562858675.db2.gz XQNHHBSXMPJDDO-UHFFFAOYSA-N 1 0 509.691 7.065 1 0 KKAFRO CCC[N@@H+]1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000169332088 562859094 /nfs/dbraw/zinc/85/90/94/562859094.db2.gz CRNOHPGCPLJAOD-ZQKNEJEOSA-N 1 0 503.771 7.454 1 0 KKAFRO COc1nc2sc(C(=O)NCCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)c(N)c2c(C)c1Cl ZINC000169332687 562859186 /nfs/dbraw/zinc/85/91/86/562859186.db2.gz YPDIYQUBODHVII-UHFFFAOYSA-N 1 0 570.974 5.878 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(Cl)cc12 ZINC000169333492 562859309 /nfs/dbraw/zinc/85/93/09/562859309.db2.gz BBTUAXKFNQFEPH-XMMPIXPASA-N 1 0 514.324 8.451 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 ZINC000169333473 562859323 /nfs/dbraw/zinc/85/93/23/562859323.db2.gz XTHZYVJTABHHDV-LJAQVGFWSA-N 1 0 569.539 9.723 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21 ZINC000169333856 562859355 /nfs/dbraw/zinc/85/93/55/562859355.db2.gz ZQRRXEQQZQGPCD-GDLZYMKVSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335797 562859715 /nfs/dbraw/zinc/85/97/15/562859715.db2.gz KUYPFHNCLHPBLE-HHHXNRCGSA-N 1 0 540.362 8.965 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334589 562859507 /nfs/dbraw/zinc/85/95/07/562859507.db2.gz SIAWVBXBHGWYJF-UUOWRZLLSA-N 1 0 516.340 8.171 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Oc2cccc(C(C)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334940 562859566 /nfs/dbraw/zinc/85/95/66/562859566.db2.gz JQIHHKWTUNXMDM-XMMPIXPASA-N 1 0 525.467 8.381 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335722 562859695 /nfs/dbraw/zinc/85/96/95/562859695.db2.gz XLLJRBQJIQSZID-MHZLTWQESA-N 1 0 560.374 7.876 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335786 562859716 /nfs/dbraw/zinc/85/97/16/562859716.db2.gz LZKLTOAGROXWJR-MHZLTWQESA-N 1 0 539.469 8.677 1 0 KKAFRO CCCC(CCC)[NH2+]C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000169335992 562859778 /nfs/dbraw/zinc/85/97/78/562859778.db2.gz FKZWBPZVYMINDH-NGDCRQAFSA-N 1 0 576.625 9.052 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc21 ZINC000169336152 562859819 /nfs/dbraw/zinc/85/98/19/562859819.db2.gz DZRJDRRFHXNQQA-AREMUKBSSA-N 1 0 508.917 8.411 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000169336906 562859882 /nfs/dbraw/zinc/85/98/82/562859882.db2.gz ZHUQODJEBJGOPW-BEQMILSISA-N 1 0 521.189 8.309 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000169336908 562859901 /nfs/dbraw/zinc/85/99/01/562859901.db2.gz ZHUQODJEBJGOPW-HZADKMLRSA-N 1 0 521.189 8.309 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Oc2ccc(Cl)cc2)c(Br)c2cc(Cl)ccc21 ZINC000169337007 562859910 /nfs/dbraw/zinc/85/99/10/562859910.db2.gz UUZGQYRPXXKITJ-DEOSSOPVSA-N 1 0 539.341 8.637 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc21 ZINC000169337022 562859929 /nfs/dbraw/zinc/85/99/29/562859929.db2.gz CVGHRMYGCQCKJY-SANMLTNESA-N 1 0 506.901 7.967 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccc(OC(F)(F)F)cc4)s3)c3c2c(F)ccc3O)CC1 ZINC000169347490 562862005 /nfs/dbraw/zinc/86/20/05/562862005.db2.gz JQTBCQCVNGFZPW-UHFFFAOYSA-N 1 0 627.708 8.223 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350405 562862774 /nfs/dbraw/zinc/86/27/74/562862774.db2.gz MIGGISAQDJIIEI-UHFFFAOYSA-N 1 0 682.753 5.306 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCC(C)CC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350397 562862793 /nfs/dbraw/zinc/86/27/93/562862793.db2.gz VGRKYDDEIPUXGN-UHFFFAOYSA-N 1 0 681.765 6.791 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(=O)cc2C)cc1F ZINC000169350399 562862810 /nfs/dbraw/zinc/86/28/10/562862810.db2.gz ILBWPLNUEWTSFN-UHFFFAOYSA-N 1 0 720.629 8.089 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350403 562862834 /nfs/dbraw/zinc/86/28/34/562862834.db2.gz CIPWVHJQNZNVAN-UHFFFAOYSA-N 1 0 736.723 6.196 1 0 KKAFRO O=C(OC[C@H]([C@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353288 562863479 /nfs/dbraw/zinc/86/34/79/562863479.db2.gz ZDIFOSOAJVECSC-SVXHESJVSA-N 1 0 624.789 6.712 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+]2CC[C@@H](C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000169363951 562864378 /nfs/dbraw/zinc/86/43/78/562864378.db2.gz ATYOFXVORANGGC-SYMWFIMMSA-N 1 0 630.899 6.304 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000169372567 562864850 /nfs/dbraw/zinc/86/48/50/562864850.db2.gz UCTGXUBCYYWFLY-WUFINQPMSA-N 1 0 524.661 5.310 1 0 KKAFRO Brc1c2nc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)[nH]c2c(Br)c(Br)c1Br ZINC000169697591 562866457 /nfs/dbraw/zinc/86/64/57/562866457.db2.gz IKBPPBPUBQVNKU-AWEZNQCLSA-N 1 0 692.092 6.047 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702147 562868221 /nfs/dbraw/zinc/86/82/21/562868221.db2.gz RFBBFPAJRLWLRU-UHFFFAOYSA-N 1 0 531.060 5.523 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cc(C)ccc1Cl)CC2 ZINC000169702195 562868255 /nfs/dbraw/zinc/86/82/55/562868255.db2.gz IEAGXYMPMSOVMG-UHFFFAOYSA-N 1 0 530.076 5.109 1 0 KKAFRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@@H]4C)c(OC)c2)CC1 ZINC000169702412 562868327 /nfs/dbraw/zinc/86/83/27/562868327.db2.gz IZXDQHFACWSTOE-FQEVSTJZSA-N 1 0 616.166 5.450 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702399 562868332 /nfs/dbraw/zinc/86/83/32/562868332.db2.gz JLHMKYGFMZDOOF-UHFFFAOYSA-N 1 0 598.151 5.653 1 0 KKAFRO CC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@@H]4C)c(OC)c2)CC1 ZINC000169702410 562868333 /nfs/dbraw/zinc/86/83/33/562868333.db2.gz NFISIFLEAMLXMW-IBGZPJMESA-N 1 0 586.140 5.823 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704474 562868987 /nfs/dbraw/zinc/86/89/87/562868987.db2.gz LTSQHYWUUUZZJC-SANMLTNESA-N 1 0 605.535 6.603 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704487 562868991 /nfs/dbraw/zinc/86/89/91/562868991.db2.gz LFBFWSLTEFNNIE-RUZDIDTESA-N 1 0 561.526 6.874 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@@H]1c1ccccc1 ZINC000169704502 562869006 /nfs/dbraw/zinc/86/90/06/562869006.db2.gz HTKUYDWXNWUZMO-RUZDIDTESA-N 1 0 561.526 6.874 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169704539 562869073 /nfs/dbraw/zinc/86/90/73/562869073.db2.gz HHKRZAHVWJTRTQ-AREMUKBSSA-N 1 0 558.000 6.517 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169704538 562869077 /nfs/dbraw/zinc/86/90/77/562869077.db2.gz HHKRZAHVWJTRTQ-SANMLTNESA-N 1 0 558.000 6.517 3 0 KKAFRO COc1ccc(C[NH3+])cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705390 562869307 /nfs/dbraw/zinc/86/93/07/562869307.db2.gz ZESYAYINYFJRIY-MHZLTWQESA-N 1 0 549.502 7.272 1 0 KKAFRO COc1cc(C[NH3+])ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705483 562869381 /nfs/dbraw/zinc/86/93/81/562869381.db2.gz MSRGKAGCQFVQIT-AREMUKBSSA-N 1 0 535.475 6.963 1 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705471 562869410 /nfs/dbraw/zinc/86/94/10/562869410.db2.gz IENITCCKRMMHIT-JOCHJYFZSA-N 1 0 531.979 6.064 1 0 KKAFRO Cc1cccc([C@@H]2C[C@H](c3ccccc3)CCN2C(=O)[C@@H]2C[NH2+]C[C@]23CCCc2nc(Cl)ccc23)c1 ZINC000169708454 562870286 /nfs/dbraw/zinc/87/02/86/562870286.db2.gz SHGDACKXZZBVAK-SWWYUOPKSA-N 1 0 500.086 5.984 1 0 KKAFRO CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cc[nH+]c(NCC5CC5)c4Cl)C3)cc2)s1 ZINC000169709376 562870378 /nfs/dbraw/zinc/87/03/78/562870378.db2.gz MNKKSCNSCJEWKE-HTAPYJJXSA-N 1 0 583.158 5.819 1 0 KKAFRO CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cc[nH+]c(NCC(F)F)c4Cl)C3)cc2)s1 ZINC000169709379 562870400 /nfs/dbraw/zinc/87/04/00/562870400.db2.gz PVCJIXJIATVOLP-HNAYVOBHSA-N 1 0 593.100 5.674 1 0 KKAFRO CC[NH+]1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711489 562870890 /nfs/dbraw/zinc/87/08/90/562870890.db2.gz CDEGANXKDGRJLR-UHFFFAOYSA-N 1 0 527.625 5.476 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](CC(C)(C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711541 562871017 /nfs/dbraw/zinc/87/10/17/562871017.db2.gz VKHXLUGMNYJCJX-UHFFFAOYSA-N 1 0 571.678 5.227 1 0 KKAFRO O=C(Nc1ccccc1)N[C@@H]1CC[N@@H+](CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000195252666 562871605 /nfs/dbraw/zinc/87/16/05/562871605.db2.gz MENBXQWQAZNXTG-FYBSXPHGSA-N 1 0 567.517 5.647 1 0 KKAFRO CCOc1ccccc1-c1ccc(C(=O)N[C@H](/C=C/c2ccccc2)[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000196616419 562872492 /nfs/dbraw/zinc/87/24/92/562872492.db2.gz RBJXGXOXVKHFAX-OYTFCFBDSA-N 1 0 561.682 5.880 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000198835396 562872876 /nfs/dbraw/zinc/87/28/76/562872876.db2.gz SCDVTYVEEOZJQT-WRENHGGMSA-N 1 0 528.722 5.665 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1=O ZINC000199036965 562872901 /nfs/dbraw/zinc/87/29/01/562872901.db2.gz JJHRHADNFSGPGT-UHFFFAOYSA-N 1 0 630.671 6.477 1 0 KKAFRO Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+](C)C)CC3)c1 ZINC000199991535 562873243 /nfs/dbraw/zinc/87/32/43/562873243.db2.gz LTNIAWNRRZEOCA-LADGPHEKSA-N 1 0 572.760 5.619 1 0 KKAFRO COC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000200054130 562873310 /nfs/dbraw/zinc/87/33/10/562873310.db2.gz IZPYTCMIIAEYJH-MHZLTWQESA-N 1 0 607.677 5.850 1 0 KKAFRO O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc21)c1ccc(C[NH+]2CCCCC2)cc1NC1CCOCC1 ZINC000200764497 562873421 /nfs/dbraw/zinc/87/34/21/562873421.db2.gz QDOTUHIGOCRMSM-UHFFFAOYSA-N 1 0 559.661 6.261 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH+](C)CC5)nc4)c3c2)cc(Cl)c1O ZINC000203989737 562874350 /nfs/dbraw/zinc/87/43/50/562874350.db2.gz QGFYSTKZYDFWHP-UHFFFAOYSA-N 1 0 544.055 5.753 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@H]4C4CC[NH+](C(C)C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204427879 562874438 /nfs/dbraw/zinc/87/44/38/562874438.db2.gz ISXYXKQLSVMWTK-SANMLTNESA-N 1 0 503.695 5.180 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH]nc4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426879 562874468 /nfs/dbraw/zinc/87/44/68/562874468.db2.gz PAECUBUJXZVOQS-NRFANRHFSA-N 1 0 500.651 5.068 1 0 KKAFRO COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000204650519 562874591 /nfs/dbraw/zinc/87/45/91/562874591.db2.gz WCEITOFHCDDSET-UHFFFAOYSA-N 1 0 533.694 6.155 1 0 KKAFRO CC[NH+]1CCC(c2cc(Nc3ncc4sc(C(N)=O)c(-c5ccccc5OC(F)(F)F)c4n3)n(C(C)C)n2)CC1 ZINC000204967189 562874657 /nfs/dbraw/zinc/87/46/57/562874657.db2.gz KTZJURLNROBYIL-UHFFFAOYSA-N 1 0 573.645 6.076 1 0 KKAFRO c1nc2c(ncnc2SCc2ccccc2)n1Cc1ccc(CCc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)cc1 ZINC000205024942 562874756 /nfs/dbraw/zinc/87/47/56/562874756.db2.gz FCJWXBYNUAZPIJ-UHFFFAOYSA-N 1 0 597.812 6.888 1 0 KKAFRO CN(C)c1cc[n+](Cc2ccc(-c3ccc(Cn4cnc5c4ncnc5SCc4ccccc4)cc3)cc2)cc1 ZINC000205024852 562874764 /nfs/dbraw/zinc/87/47/64/562874764.db2.gz RCCICRWINQMUIT-UHFFFAOYSA-N 1 0 543.720 6.236 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000205296019 562875015 /nfs/dbraw/zinc/87/50/15/562875015.db2.gz DEHYOWDSFWSILS-VMPITWQZSA-N 1 0 545.615 5.173 1 0 KKAFRO CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490722 562875443 /nfs/dbraw/zinc/87/54/43/562875443.db2.gz UYRKFMAPPBMERN-UHFFFAOYSA-N 1 0 619.737 6.120 1 0 KKAFRO [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000205654793 562875599 /nfs/dbraw/zinc/87/55/99/562875599.db2.gz BPZOGWXXIUMIML-UHFFFAOYSA-N 1 0 598.099 6.531 1 0 KKAFRO CC[NH+]1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000205832644 562875986 /nfs/dbraw/zinc/87/59/86/562875986.db2.gz QWVWRHZOCASQGL-QFIPXVFZSA-N 1 0 533.680 6.279 1 0 KKAFRO CCOC(=O)C1CCC(C[N@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000206131003 562876353 /nfs/dbraw/zinc/87/63/53/562876353.db2.gz IZGCNCMZPRQSKF-JHUWLELGSA-N 1 0 592.733 5.091 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000213801526 562877224 /nfs/dbraw/zinc/87/72/24/562877224.db2.gz HPKILEYSBNGEIE-VMPITWQZSA-N 1 0 580.060 5.826 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c2c1CCCC2 ZINC000214140885 562877341 /nfs/dbraw/zinc/87/73/41/562877341.db2.gz QXZATCOQZPQTBF-XHPQRKPJSA-N 1 0 565.743 6.248 1 0 KKAFRO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)CC1 ZINC000215495609 562877373 /nfs/dbraw/zinc/87/73/73/562877373.db2.gz WBIQMNDNFCNQLO-UHFFFAOYSA-N 1 0 524.568 5.835 1 0 KKAFRO Cc1oncc1CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000219072821 562877973 /nfs/dbraw/zinc/87/79/73/562877973.db2.gz QCHQOBGIUWWBLB-XIFFEERXSA-N 1 0 583.777 7.628 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccccc2)C(C)C)C(C)C)ccc1OC ZINC000220154758 562878367 /nfs/dbraw/zinc/87/83/67/562878367.db2.gz XOYXNSGGUWKFJV-YDPTYEFTSA-N 1 0 598.869 6.051 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221084200 562878760 /nfs/dbraw/zinc/87/87/60/562878760.db2.gz SSHNWZWLAACLAH-SMXCINHOSA-N 1 0 560.085 5.036 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221458068 562879011 /nfs/dbraw/zinc/87/90/11/562879011.db2.gz HYWHYYQDFBRNJV-UHFFFAOYSA-N 1 0 569.750 6.815 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccnc5)s4)cc32)c1C ZINC000221776731 562879297 /nfs/dbraw/zinc/87/92/97/562879297.db2.gz YJNLDIZSMZURJH-ULJHMMPZSA-N 1 0 539.705 5.986 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)[C@@H]2c3cccc(OCCC4CC[NH+](C)CC4)c3CC(C)(C)N2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1 ZINC000224070508 562880261 /nfs/dbraw/zinc/88/02/61/562880261.db2.gz AAGUCZQYYJDCSS-TYTXXZNPSA-N 1 0 744.268 6.299 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CC[NH+](C)C)c1)C2=O ZINC000224096291 562880334 /nfs/dbraw/zinc/88/03/34/562880334.db2.gz IFRLFSYFJZFISV-MUUNZHRXSA-N 1 0 580.516 5.784 1 0 KKAFRO CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2[NH2+][C@H](c2ccccc2)C1 ZINC000224597292 562880475 /nfs/dbraw/zinc/88/04/75/562880475.db2.gz MDYPEKYXGSHXAG-IARZGTGTSA-N 1 0 523.098 6.178 3 0 KKAFRO CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41C[N@@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000253634019 562882137 /nfs/dbraw/zinc/88/21/37/562882137.db2.gz MOSIRVPMEDLWCZ-HDWKMFMGSA-N 1 0 583.729 5.021 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638455 562882455 /nfs/dbraw/zinc/88/24/55/562882455.db2.gz RCIMAYJLHGXJSS-DMEDLEQBSA-N 1 0 509.137 5.127 1 0 KKAFRO C[N@@H+]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000299823746 562883039 /nfs/dbraw/zinc/88/30/39/562883039.db2.gz TUYLFLYCHFXLHM-UHFFFAOYSA-N 1 0 520.633 6.125 1 0 KKAFRO CCOc1cc(OCC)cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)c1 ZINC000299826403 562883843 /nfs/dbraw/zinc/88/38/43/562883843.db2.gz FXWZTYUATPUVDI-NDEPHWFRSA-N 1 0 571.640 5.189 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C(F)(F)F)cc1F ZINC000299834495 562886456 /nfs/dbraw/zinc/88/64/56/562886456.db2.gz JLCOBIOZIRCTOF-UHFFFAOYSA-N 1 0 714.120 6.696 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)nc4)cc3)ccc2OC)c1 ZINC000299835095 562886676 /nfs/dbraw/zinc/88/66/76/562886676.db2.gz LQBMNBTZBDGJDQ-UHFFFAOYSA-N 1 0 523.633 6.158 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4N)cc3)ccc2OC)c1 ZINC000299835132 562886681 /nfs/dbraw/zinc/88/66/81/562886681.db2.gz LTGYLWMZSUMWCZ-UHFFFAOYSA-N 1 0 537.660 6.345 1 0 KKAFRO Cc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)c(C2CC2)o1 ZINC000299837746 562887618 /nfs/dbraw/zinc/88/76/18/562887618.db2.gz PKJCNVBPDXZMDO-VWLOTQADSA-N 1 0 527.587 5.170 1 0 KKAFRO CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000299838364 562887863 /nfs/dbraw/zinc/88/78/63/562887863.db2.gz UTSQNVLOMVPCIW-YTTGMZPUSA-N 1 0 595.788 7.045 1 0 KKAFRO O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299838592 562887892 /nfs/dbraw/zinc/88/78/92/562887892.db2.gz QQOSBFYZJBKRMS-UAKSBLKBSA-N 1 0 560.497 5.201 1 0 KKAFRO Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299838796 562887949 /nfs/dbraw/zinc/88/79/49/562887949.db2.gz RCOILDNJZSSEPU-YHBQERECSA-N 1 0 580.714 6.275 1 0 KKAFRO O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)/C(F)=C/C[NH+]1CCCCC1 ZINC000299838837 562887974 /nfs/dbraw/zinc/88/79/74/562887974.db2.gz RFXHNJBBKBSDIB-GRKMDYAMSA-N 1 0 544.002 5.611 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)c3ccccc32)cc1F ZINC000299840000 562888385 /nfs/dbraw/zinc/88/83/85/562888385.db2.gz UJWCNUHITLVMJO-UHFFFAOYSA-N 1 0 677.708 7.130 1 0 KKAFRO Cc1cc(=O)oc2cc(OCCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000299840515 562888566 /nfs/dbraw/zinc/88/85/66/562888566.db2.gz XSLAHXIYJSPNKR-UHFFFAOYSA-N 1 0 596.772 6.114 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nc3ccn(C)c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840869 562888663 /nfs/dbraw/zinc/88/86/63/562888663.db2.gz ZSVJVUQFNULFQX-UHFFFAOYSA-N 1 0 629.687 6.586 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@H]2Cc1ccccc1 ZINC000299847893 562890097 /nfs/dbraw/zinc/89/00/97/562890097.db2.gz WUTQPANFUKXCKM-HAGNYLGPSA-N 1 0 582.810 6.864 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@H]2Cc1cccnc1 ZINC000299847918 562890104 /nfs/dbraw/zinc/89/01/04/562890104.db2.gz YWFBIWIPVKDFLH-CPPDLFNCSA-N 1 0 583.798 6.259 1 0 KKAFRO O=C(Nc1c(F)cccc1Cl)c1cnc(Nc2ccc(C3CC[NH2+]CC3)cc2)nc1NC[C@@H]1CCCO1 ZINC000299852600 562890946 /nfs/dbraw/zinc/89/09/46/562890946.db2.gz VCWAVCRQHIGHCN-FQEVSTJZSA-N 1 0 525.028 5.323 1 0 KKAFRO Cc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12 ZINC000299854764 562891465 /nfs/dbraw/zinc/89/14/65/562891465.db2.gz BKDHHUPZMPVXQK-UHFFFAOYSA-N 1 0 522.624 5.627 1 0 KKAFRO COc1cccc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299854922 562891516 /nfs/dbraw/zinc/89/15/16/562891516.db2.gz APPSTWKASLEFLV-WNPNTJLQSA-N 1 0 576.703 7.738 1 0 KKAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856212 562891890 /nfs/dbraw/zinc/89/18/90/562891890.db2.gz IRXPYSOEJZVFBM-HHHXNRCGSA-N 1 0 605.198 6.269 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2cc(F)c(Br)c(F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299862409 562893570 /nfs/dbraw/zinc/89/35/70/562893570.db2.gz JPRYIQWVACCEFG-HXUWFJFHSA-N 1 0 617.516 5.285 1 0 KKAFRO O=C(NCCN1CC[NH+](C2CCC2)CC1)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1 ZINC000299862345 562893586 /nfs/dbraw/zinc/89/35/86/562893586.db2.gz JNEVMXDLGBKOSK-UHFFFAOYSA-N 1 0 529.088 5.322 1 0 KKAFRO CO[C@@H]1CCC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862926 562893673 /nfs/dbraw/zinc/89/36/73/562893673.db2.gz KIIVFPPAZKVFDP-HHHXNRCGSA-N 1 0 549.502 7.351 1 0 KKAFRO CN1Cc2ccccc2N(C)c2nc(Nc3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3Cl)ncc21 ZINC000299863293 562893813 /nfs/dbraw/zinc/89/38/13/562893813.db2.gz KUDTUXOXCZKNBI-UHFFFAOYSA-N 1 0 546.119 5.682 1 0 KKAFRO C[NH+](C)CCC1CCN(C(=O)c2cccc(N3c4ccccc4[C@@]4(C[C@@H]4c4ccc(Cl)cc4)C3=O)c2)CC1 ZINC000299863637 562893894 /nfs/dbraw/zinc/89/38/94/562893894.db2.gz LHAICUAARRZQFU-AKGWNBJDSA-N 1 0 528.096 6.248 1 0 KKAFRO Cc1ccccc1-c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299863942 562894012 /nfs/dbraw/zinc/89/40/12/562894012.db2.gz QLINSIXBACKFKC-WNPNTJLQSA-N 1 0 560.704 8.038 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000299866775 562894728 /nfs/dbraw/zinc/89/47/28/562894728.db2.gz WUHVASUBTOYMAX-GYZWWNDVSA-N 1 0 500.609 5.221 1 0 KKAFRO O=C1CCc2ccc(OCCCC[N@H+]3CC=C(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1 ZINC000299866789 562894739 /nfs/dbraw/zinc/89/47/39/562894739.db2.gz PJDFUWIIHYWFLS-UHFFFAOYSA-N 1 0 505.662 6.523 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299867317 562894825 /nfs/dbraw/zinc/89/48/25/562894825.db2.gz QDLRHMZRLCCZQC-YCNHBXJWSA-N 1 0 557.694 5.936 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299870689 562895523 /nfs/dbraw/zinc/89/55/23/562895523.db2.gz WSGCGGATBVZWKD-MRUMMDIBSA-N 1 0 571.721 6.326 1 0 KKAFRO Cn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(N=c4ccn(C)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819958 562896143 /nfs/dbraw/zinc/89/61/43/562896143.db2.gz GJOMYKUNIVZPJD-YKQLMDKRSA-N 1 0 500.606 5.216 1 0 KKAFRO CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)c(N)c3)c(N)c2)c2ccccc21 ZINC000377848918 562896484 /nfs/dbraw/zinc/89/64/84/562896484.db2.gz FYPORBCFTCKSTD-UHFFFAOYSA-O 1 0 546.699 6.142 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCC[NH+]2CCC(O)CC2)COC1=O ZINC000473086410 562897070 /nfs/dbraw/zinc/89/70/70/562897070.db2.gz HVMHLBMIDBSKKD-DEICMYPCSA-N 1 0 723.816 5.091 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(C(F)(F)F)cc1C1CC[NH+](C)CC1 ZINC000473090266 562897507 /nfs/dbraw/zinc/89/75/07/562897507.db2.gz NRWIWXUOGYXDBH-UHFFFAOYSA-N 1 0 586.084 5.091 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(CC1)OCCc1ccccc12)C1CC1 ZINC000473106859 562898275 /nfs/dbraw/zinc/89/82/75/562898275.db2.gz YKBMRTZYUFOORD-DEOSSOPVSA-N 1 0 554.575 6.321 1 0 KKAFRO C[C@H]1Cc2ccccc2C2(CC[NH+](CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 ZINC000473108539 562898418 /nfs/dbraw/zinc/89/84/18/562898418.db2.gz NARPDGATCGVANV-SFHVURJKSA-N 1 0 528.537 6.073 1 0 KKAFRO COc1ccc2c(c1)CCOC21CC[NH+](CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000473110877 562898555 /nfs/dbraw/zinc/89/85/55/562898555.db2.gz WZOIMSRGGIDWKR-UHFFFAOYSA-N 1 0 544.536 5.693 1 0 KKAFRO CC[N@H+](CCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899055 /nfs/dbraw/zinc/89/90/55/562899055.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 1 0 519.594 5.482 1 0 KKAFRO CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)C[C@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129820 562900071 /nfs/dbraw/zinc/90/00/71/562900071.db2.gz ITXUJDTVHQVSLI-BTIIJPOSSA-N 1 0 509.666 5.771 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2ccccc2Cl)C(C)C)C(C)C)ccc1OC ZINC000473144322 562901271 /nfs/dbraw/zinc/90/12/71/562901271.db2.gz AOXIBYBIAKOCOH-ZHTHUIBPSA-N 1 0 591.233 5.678 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 ZINC000473151249 562901610 /nfs/dbraw/zinc/90/16/10/562901610.db2.gz OOTVHHLYUHRVRK-UHFFFAOYSA-N 1 0 558.601 6.696 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F ZINC000473150988 562901621 /nfs/dbraw/zinc/90/16/21/562901621.db2.gz NYAOWMYCIGBQPL-UHFFFAOYSA-N 1 0 575.588 5.970 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152112 562901720 /nfs/dbraw/zinc/90/17/20/562901720.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 1 0 564.126 5.975 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473152604 562901810 /nfs/dbraw/zinc/90/18/10/562901810.db2.gz UORVVOCXCLCVTI-PMERELPUSA-N 1 0 522.089 5.522 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473152607 562901812 /nfs/dbraw/zinc/90/18/12/562901812.db2.gz UORVVOCXCLCVTI-SSEXGKCCSA-N 1 0 522.089 5.522 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152452 562901825 /nfs/dbraw/zinc/90/18/25/562901825.db2.gz UHRMTCOEBUUBLY-XIFFEERXSA-N 1 0 545.724 5.657 1 0 KKAFRO CC(=O)c1cnc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473213149 562903896 /nfs/dbraw/zinc/90/38/96/562903896.db2.gz ARARLLREVMSHLP-SAABIXHNSA-N 1 0 502.537 5.058 1 0 KKAFRO O=C([O-])CC[NH+]1CCC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215329 562904051 /nfs/dbraw/zinc/90/40/51/562904051.db2.gz IRUZTIPRURJEDF-YLJYDHMQSA-N 1 0 532.773 6.607 1 0 KKAFRO [NH2+]=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233226 562904437 /nfs/dbraw/zinc/90/44/37/562904437.db2.gz MWPFNYBDOHKZHA-ZUKKLESISA-N 1 0 585.793 6.810 1 0 KKAFRO CCN(c1cc(-c2ccco2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244459 562904857 /nfs/dbraw/zinc/90/48/57/562904857.db2.gz LKSISTKKQFJQIB-RQNOJGIXSA-N 1 0 504.675 5.602 1 0 KKAFRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H]([NH+](C)C)CC3)nc1)C(=O)C2 ZINC000474602174 562905189 /nfs/dbraw/zinc/90/51/89/562905189.db2.gz AOKBGTDCGVLICS-PGWXNWGFSA-N 1 0 591.196 6.766 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3)c(=O)n2C)cc1F ZINC000474603467 562905241 /nfs/dbraw/zinc/90/52/41/562905241.db2.gz CAWGLRAUPOZXRB-UHFFFAOYSA-N 1 0 625.701 6.090 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4cccc(I)c4)[nH]3)ccc21 ZINC000474605835 562905299 /nfs/dbraw/zinc/90/52/99/562905299.db2.gz GKGFLGJKGVWZGC-MHZLTWQESA-N 1 0 568.434 5.998 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474607078 562905420 /nfs/dbraw/zinc/90/54/20/562905420.db2.gz IZJLHJIJZZCSAE-UHFFFAOYSA-N 1 0 598.607 5.535 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609559 562905611 /nfs/dbraw/zinc/90/56/11/562905611.db2.gz QTDUAVIOODNWJG-WJOKGBTCSA-N 1 0 535.688 5.774 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609886 562905696 /nfs/dbraw/zinc/90/56/96/562905696.db2.gz WQZBBYANCHFELC-HKBQPEDESA-N 1 0 556.751 5.060 1 0 KKAFRO COc1ccc(CCNc2ccc3c(c2)CC[N@@H+](CC(=O)NCc2ccccc2)[C@@H]3Cc2ccc(OC)c(OC)c2)cc1OC ZINC000474609927 562905740 /nfs/dbraw/zinc/90/57/40/562905740.db2.gz XJJBZALXBSSBSQ-JGCGQSQUSA-N 1 0 609.767 5.834 1 0 KKAFRO COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1C[NH2+][C@H](COC(=O)NCc2ccccc2)CO1)C(c1ccccc1)c1ccccc1 ZINC000584904748 562905841 /nfs/dbraw/zinc/90/58/41/562905841.db2.gz MYPZZBCHYVILMP-UKAHRKLESA-N 1 0 650.776 5.398 1 0 in-vitro KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)cn4)cc32)c1C ZINC000653673690 562906234 /nfs/dbraw/zinc/90/62/34/562906234.db2.gz BJCVGUCKOINUHI-UQQQWYQISA-N 1 0 534.664 5.320 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1C[NH+](C)C ZINC000653697786 562907137 /nfs/dbraw/zinc/90/71/37/562907137.db2.gz CNKNQPUXMDIQIR-PEXXQYNDSA-N 1 0 533.466 5.596 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccc(Br)cc2C[C@@H]1C[NH+](C)C ZINC000653700736 562907351 /nfs/dbraw/zinc/90/73/51/562907351.db2.gz SVUVVRCUYJEPCS-LJQNWDROSA-N 1 0 596.363 6.522 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(F)cc3F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708996 562908035 /nfs/dbraw/zinc/90/80/35/562908035.db2.gz FVIBYPBGQOFXTI-SSEXGKCCSA-N 1 0 592.735 5.127 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OCC[C@@H]1C[NH+](C)C ZINC000653712766 562908183 /nfs/dbraw/zinc/90/81/83/562908183.db2.gz CEVNNEDPHVKETO-BOGJOCPPSA-N 1 0 547.493 5.986 1 0 KKAFRO C[NH+](C)CC[C@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714245 562908395 /nfs/dbraw/zinc/90/83/95/562908395.db2.gz GHGVFXRKINKBLR-ZSTPPTKCSA-N 1 0 638.606 7.625 1 0 KKAFRO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nc6cc(F)ccc6[nH]5)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653718394 562908645 /nfs/dbraw/zinc/90/86/45/562908645.db2.gz ZIXIRTNXAQSCKV-UHFFFAOYSA-N 1 0 623.732 8.393 1 0 KKAFRO Cn1c(=O)nc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)cc1N1CC[NH+](C2CC2)CC1 ZINC000653722479 562908798 /nfs/dbraw/zinc/90/87/98/562908798.db2.gz QOWHDNHDLZYUKL-UHFFFAOYSA-N 1 0 570.946 5.386 1 0 KKAFRO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCCN9CCc%10c%11ccccc%11n7c%10[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 562908934 /nfs/dbraw/zinc/90/89/34/562908934.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 1 0 632.849 5.938 1 0 KKAFRO COc1ccc(Cn2cc(Nc3nc(Nc4cc(C)c(C5CC[NH2+]CC5)cc4OC(C)C)ncc3Cl)c(S(=O)(=O)C(C)C)n2)cc1 ZINC000653733792 562909598 /nfs/dbraw/zinc/90/95/98/562909598.db2.gz WBSZNOLBKNHSNR-UHFFFAOYSA-N 1 0 668.264 6.615 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@H]([NH2+]CCN(C)C)CC1 ZINC000653735983 562909681 /nfs/dbraw/zinc/90/96/81/562909681.db2.gz HXNDNZGOTQDVCU-HZCBDIJESA-N 1 0 645.274 5.560 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@@H](c2cc(OC3CC3)c(Nc3ncc(Cl)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000653736180 562909710 /nfs/dbraw/zinc/90/97/10/562909710.db2.gz WSOBXSNTAZSKJF-SZPZYZBQSA-N 1 0 630.259 6.750 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CCC([NH+]2CCN(C)CC2)CC1 ZINC000653735946 562909711 /nfs/dbraw/zinc/90/97/11/562909711.db2.gz FFEQDKZQOWESHM-UHFFFAOYSA-N 1 0 657.285 5.656 1 0 KKAFRO CC(=O)N1CCN(c2ccc(Nc3c(NC(=O)C(C)(C)C)cnc4ccc(-c5cnc6ccccc6c5)cc43)cc2C(F)(F)F)CC1 ZINC000653744951 562910287 /nfs/dbraw/zinc/91/02/87/562910287.db2.gz HPVMIGRBYIWORF-UHFFFAOYSA-N 1 0 640.710 7.287 1 0 KKAFRO CC[N@H+](CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653746557 562910407 /nfs/dbraw/zinc/91/04/07/562910407.db2.gz AOWUGOYNWGJDDH-OUKQBFOZSA-N 1 0 532.681 5.680 1 0 KKAFRO Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5ccc(CN6CCOCC6)cc5)cc43)cc2Cl)c1 ZINC000653749388 562910605 /nfs/dbraw/zinc/91/06/05/562910605.db2.gz NDDKTJQUMWQODC-UHFFFAOYSA-N 1 0 561.082 6.728 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000653757852 562911118 /nfs/dbraw/zinc/91/11/18/562911118.db2.gz ONQHIKASFHKSEY-XWJWUSBBSA-N 1 0 582.708 5.852 1 0 KKAFRO Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768397 562911759 /nfs/dbraw/zinc/91/17/59/562911759.db2.gz AWHBSEWLGKQINF-UHFFFAOYSA-N 1 0 543.667 7.064 1 0 KKAFRO Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773187 562911836 /nfs/dbraw/zinc/91/18/36/562911836.db2.gz JGCZXMWYSLMZHI-UHFFFAOYSA-N 1 0 575.684 7.593 1 0 KKAFRO CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1ccc3c(c1)CCC[C@@H]3CCC(=O)N1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000653791385 562912677 /nfs/dbraw/zinc/91/26/77/562912677.db2.gz PMADXNIXEGVGGP-GDLZYMKVSA-N 1 0 642.885 6.665 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653791412 562912685 /nfs/dbraw/zinc/91/26/85/562912685.db2.gz VLRNAGQGUPLUJY-LJEWAXOPSA-N 1 0 577.752 6.975 1 0 KKAFRO C[C@@]12CCN(C(=O)C[n+]3cn(Cc4ccccc4Br)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792004 562912727 /nfs/dbraw/zinc/91/27/27/562912727.db2.gz YIIWPJAVKUDCTB-NOCHOARKSA-N 1 0 592.561 6.276 1 0 KKAFRO C[C@@]12CCN(C(=O)C[n+]3cn(Cc4ccccc4Br)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792002 562912728 /nfs/dbraw/zinc/91/27/28/562912728.db2.gz YIIWPJAVKUDCTB-HEVIKAOCSA-N 1 0 592.561 6.276 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccc(Br)cc1 ZINC000653794477 562912929 /nfs/dbraw/zinc/91/29/29/562912929.db2.gz CCJOFWVVEQHIEV-LQFQNGICSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1n(Cc2ccc(Br)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795071 562912995 /nfs/dbraw/zinc/91/29/95/562912995.db2.gz DJUWYWUCVVBMFP-VSJLXWSYSA-N 1 0 606.588 6.585 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)CN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822620 562914144 /nfs/dbraw/zinc/91/41/44/562914144.db2.gz FARNSAZMRIPYES-AWEZNQCLSA-N 1 0 538.439 5.472 1 0 KKAFRO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823878 562914340 /nfs/dbraw/zinc/91/43/40/562914340.db2.gz XCUHFBQSGFOCNR-LJQANCHMSA-N 1 0 590.559 7.403 1 0 KKAFRO CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cc(C[NH3+])ccn2)CC1 ZINC000653842103 562914894 /nfs/dbraw/zinc/91/48/94/562914894.db2.gz FPBCUKJZFMZDRA-NSJVFKKDSA-N 1 0 693.689 6.265 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCC[NH+]3CCOCC3)c2)c(F)c1)Nc1ccc(Cl)cc1Cl ZINC000653843503 562915026 /nfs/dbraw/zinc/91/50/26/562915026.db2.gz LWRQAIYZPVHGLF-UHFFFAOYSA-N 1 0 586.455 5.945 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)ccn1 ZINC000653851651 562915570 /nfs/dbraw/zinc/91/55/70/562915570.db2.gz MIUGTDNAQNCNTA-UHFFFAOYSA-N 1 0 577.970 6.539 1 0 KKAFRO O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917614 /nfs/dbraw/zinc/91/76/14/562917614.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 1 0 505.625 5.380 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653914378 562917816 /nfs/dbraw/zinc/91/78/16/562917816.db2.gz NKAJUTFUNHKPHB-UHFFFAOYSA-N 1 0 573.471 5.757 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596782 565156745 /nfs/dbraw/zinc/15/67/45/565156745.db2.gz GKUQIUXXBZZQOB-JJVHVUKDSA-N 1 0 640.862 6.136 1 0 biogenic,in-vitro KKAFRO COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1O ZINC000095914236 565185513 /nfs/dbraw/zinc/18/55/13/565185513.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 1 0 682.814 6.760 1 0 biogenic,in-vitro KKAFRO CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3C[NH3+])cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000042833767 581097963 /nfs/dbraw/zinc/09/79/63/581097963.db2.gz NRTPJMXYAMIJHJ-UHFFFAOYSA-N 1 0 569.687 5.161 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3sccc3C(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823556 581100636 /nfs/dbraw/zinc/10/06/36/581100636.db2.gz YNLLLFCGVZQNDE-QYWCMFJLSA-N 1 0 530.690 6.158 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(Oc4ccccc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823503 581100691 /nfs/dbraw/zinc/10/06/91/581100691.db2.gz AEXPHLJCGOXXBU-RKBYDRGJSA-N 1 0 505.614 7.263 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823335 581100724 /nfs/dbraw/zinc/10/07/24/581100724.db2.gz SUUZABOKTWBKLI-DVVQLAPNSA-N 1 0 542.651 6.236 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3sccc3C(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823555 581100725 /nfs/dbraw/zinc/10/07/25/581100725.db2.gz YNLLLFCGVZQNDE-BULMRDKGSA-N 1 0 530.690 6.158 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3sccc3C(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823553 581100727 /nfs/dbraw/zinc/10/07/27/581100727.db2.gz YNLLLFCGVZQNDE-GQRXCGIESA-N 1 0 530.690 6.158 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(Oc4ccccc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823501 581100746 /nfs/dbraw/zinc/10/07/46/581100746.db2.gz AEXPHLJCGOXXBU-ISFOTYDXSA-N 1 0 505.614 7.263 1 0 KKAFRO CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@@H](C)[NH+](C)C)CC[C@@]23C)CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000095918617 291906836 /nfs/dbraw/zinc/90/68/36/291906836.db2.gz DMWFVSJPHMUFEL-KCEGBIRLSA-N 1 0 564.811 5.853 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](CO)C1CC[NH2+]CC1)OC2=O ZINC000085571404 291919394 /nfs/dbraw/zinc/91/93/94/291919394.db2.gz KIVWWSIVQKHASL-OPVMEXCLSA-N 1 0 647.812 7.225 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=C[C@H]2CC[C@@H](C4)[C@@H]1[C@H]2C ZINC000085531953 291920508 /nfs/dbraw/zinc/92/05/08/291920508.db2.gz BILYNZJNMVOQNX-ZBFKSAIHSA-N 1 0 581.797 7.546 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)C(=O)O/C4=C\[C@H](CC)Cc3ccccc3)[C@@H]21 ZINC000085571354 291919584 /nfs/dbraw/zinc/91/95/84/291919584.db2.gz FSOUEWYGSJWEJI-NKAOBMMGSA-N 1 0 681.873 9.215 1 0 biogenic,in-vitro KKAFRO CCCCCc1c(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)cccc1NC(=[NH2+])NC ZINC000085596166 291935099 /nfs/dbraw/zinc/93/50/99/291935099.db2.gz NXRVYSFQIRWVER-BHVANESWSA-N 1 0 695.945 9.268 1 0 biogenic,in-vitro KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(C(C(=O)C2=CC[C@H]4CC[C@H]5C=CC=C[C@]45C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572848 291938260 /nfs/dbraw/zinc/93/82/60/291938260.db2.gz YMQOKJVXEJJNHY-KFDAGZIISA-N 1 0 579.737 6.737 1 0 biogenic,in-vitro KKAFRO CC[C@H](C)C[C@H]1[C@]23C=CCC[C@]2(/C(=C/[C@H]2C=C[C@H]4CC[C@H]5C=CC=C[C@]45C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000085531971 291946359 /nfs/dbraw/zinc/94/63/59/291946359.db2.gz KUFDKJYQKYDSFJ-BGFDLKFCSA-N 1 0 591.792 7.488 1 0 biogenic,in-vitro KKAFRO CCc1cc(C[C@@H]2CC[C@]3(C2)Cc2cc(O)cc(OC)c2-c2ccc4c(c23)O[C@H](c2ccc(O)c(OC)c2)[C@H]4COC(C)=O)c[nH+]c1N ZINC000085568387 291948374 /nfs/dbraw/zinc/94/83/74/291948374.db2.gz QPGCBQZXTHAQFN-HFDIWOBKSA-N 1 0 650.772 6.939 1 0 biogenic,in-vitro KKAFRO Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001549292 561677399 /nfs/dbraw/zinc/67/73/99/561677399.db2.gz LENPPWYNSXXLIB-UHFFFAOYSA-N 1 0 549.559 6.724 1 0 KKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(OC(=O)c3ccccc3)c2CC[C@@H]1[NH+]1CCCC1 ZINC000001552227 561677527 /nfs/dbraw/zinc/67/75/27/561677527.db2.gz ZFDJNBKADYOBSV-WNJJXGMVSA-N 1 0 537.487 6.365 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000001553969 561677716 /nfs/dbraw/zinc/67/77/16/561677716.db2.gz AHJFYTIHDCIFFZ-UHFFFAOYSA-N 1 0 560.928 8.792 1 0 KKAFRO O=c1c(-c2ccccc2)c(SCC[NH+]2CCCCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001655235 561678735 /nfs/dbraw/zinc/67/87/35/561678735.db2.gz CJWUANWMBFRMCH-UHFFFAOYSA-N 1 0 513.732 6.993 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000003815508 561682891 /nfs/dbraw/zinc/68/28/91/561682891.db2.gz ULIJLYCJYRQKBG-UHFFFAOYSA-N 1 0 518.493 6.062 1 0 KKAFRO NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3c2cccc3O)c1 ZINC000003831909 561683541 /nfs/dbraw/zinc/68/35/41/561683541.db2.gz SCROZWCCSPRDIO-UHFFFAOYSA-N 1 0 534.460 5.647 1 0 KKAFRO CCc1cn(CC(=O)N(CC[NH+](CC)CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000003842703 561683971 /nfs/dbraw/zinc/68/39/71/561683971.db2.gz RZYAVBJCTLMHKS-UHFFFAOYSA-N 1 0 654.774 7.294 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842931 561684167 /nfs/dbraw/zinc/68/41/67/561684167.db2.gz OQHPRXYGKQHOKG-UHFFFAOYSA-N 1 0 687.285 6.690 1 0 KKAFRO COc1cc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1 ZINC000003915041 561684697 /nfs/dbraw/zinc/68/46/97/561684697.db2.gz UNBNMDOOATZHTA-UHFFFAOYSA-N 1 0 564.748 6.095 1 0 KKAFRO CC[NH+](CC)CCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000003915813 561684947 /nfs/dbraw/zinc/68/49/47/561684947.db2.gz PNNPNHLEFUOCGE-UHFFFAOYSA-N 1 0 570.813 6.979 1 0 KKAFRO COc1ccccc1C[NH2+]CCNC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000003921616 561685771 /nfs/dbraw/zinc/68/57/71/561685771.db2.gz ARDKXDPBRYTTRZ-AREMUKBSSA-N 1 0 661.647 6.083 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000003921850 561685803 /nfs/dbraw/zinc/68/58/03/561685803.db2.gz JAYQQZOTCXTTTQ-IGYGKHONSA-N 1 0 525.693 5.666 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000003924084 561686289 /nfs/dbraw/zinc/68/62/89/561686289.db2.gz FCTLXWGMRSGBKF-NDEPHWFRSA-N 1 0 639.656 5.288 1 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OS(C)(=O)=O)C1 ZINC000003928090 561686852 /nfs/dbraw/zinc/68/68/52/561686852.db2.gz HYHZGIWTSKSXKP-MUUNZHRXSA-N 1 0 534.722 5.472 1 0 KKAFRO O=C(CNC(=O)OCc1ccccc1)NCC(CCC[NH+]1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000003936146 561688450 /nfs/dbraw/zinc/68/84/50/561688450.db2.gz WSXANDLGZDWPNU-UHFFFAOYSA-N 1 0 589.780 6.675 1 0 KKAFRO CCS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003937998 561688751 /nfs/dbraw/zinc/68/87/51/561688751.db2.gz DOWMHKGEUBGVCN-UHFFFAOYSA-N 1 0 531.674 6.663 1 0 KKAFRO CS(=O)(=O)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003937996 561688757 /nfs/dbraw/zinc/68/87/57/561688757.db2.gz KUWSWTJKKAYVBV-UHFFFAOYSA-N 1 0 523.676 6.334 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941151 561689279 /nfs/dbraw/zinc/68/92/79/561689279.db2.gz CBRDBWCBSRTAIS-ZPGRZCPFSA-N 1 0 611.871 7.150 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)C[C@@H]3c4ccccc4[NH+]=C(N4CCCCC4)N3c3ccccc3)cc2)cc1 ZINC000003949880 561690299 /nfs/dbraw/zinc/69/02/99/561690299.db2.gz TWRWYNXGPAASHN-MGBGTMOVSA-N 1 0 607.780 6.537 1 0 in-vivo KKAFRO O=C(CC1CC[NH+](CC(=O)N2CCOCC2)CC1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000003950870 561690480 /nfs/dbraw/zinc/69/04/80/561690480.db2.gz YCRWTAAJDYJPGL-WJOKGBTCSA-N 1 0 722.950 5.690 1 0 KKAFRO CC(=O)OC[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003952543 561690683 /nfs/dbraw/zinc/69/06/83/561690683.db2.gz LSDCEJWALDHZKK-QRXNUUPWSA-N 1 0 531.656 5.871 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3NC2=O)c1 ZINC000004214307 561694225 /nfs/dbraw/zinc/69/42/25/561694225.db2.gz ADSYLNKJDYRVDB-MUUNZHRXSA-N 1 0 536.650 5.379 1 0 in-man KKAFRO O=C(C[NH+]1CCCC1)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000004424193 561694975 /nfs/dbraw/zinc/69/49/75/561694975.db2.gz ABRLODMDKOBAGA-UHFFFAOYSA-N 1 0 528.537 5.897 1 0 KKAFRO O=c1c(-c2ccccc2)c(SCCC[NH+]2CCCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000005582807 561697305 /nfs/dbraw/zinc/69/73/05/561697305.db2.gz ZDLVZQIAJLSXCE-UHFFFAOYSA-N 1 0 513.732 6.993 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001943 561700710 /nfs/dbraw/zinc/70/07/10/561700710.db2.gz UOUVUOCDDCWLPU-YRCZKMHPSA-N 1 0 573.686 5.982 1 0 KKAFRO O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)Cc1cccnc1 ZINC000006717691 561703066 /nfs/dbraw/zinc/70/30/66/561703066.db2.gz UNRCJLILBVLZDQ-OQKWZONESA-N 1 0 537.707 7.323 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585194 561705869 /nfs/dbraw/zinc/70/58/69/561705869.db2.gz OIYZVIZIRLVDIJ-QHHIVDTJSA-N 1 0 573.699 8.561 1 0 aggregator KKAFRO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596909 561706074 /nfs/dbraw/zinc/70/60/74/561706074.db2.gz DBHDWSLXZNDCJG-UHFFFAOYSA-N 1 0 622.210 6.291 1 0 KKAFRO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597382 561706203 /nfs/dbraw/zinc/70/62/03/561706203.db2.gz CUOZJWDEYZRXEB-UHFFFAOYSA-N 1 0 615.819 6.254 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597388 561706221 /nfs/dbraw/zinc/70/62/21/561706221.db2.gz DPKSLIVWFKNAGL-UHFFFAOYSA-N 1 0 630.834 5.554 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450352 561713346 /nfs/dbraw/zinc/71/33/46/561713346.db2.gz ZPRTXMCKEPWEJU-MFMCTBQISA-N 1 0 541.709 5.068 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450361 561713365 /nfs/dbraw/zinc/71/33/65/561713365.db2.gz ZPRTXMCKEPWEJU-JDXGNMNLSA-N 1 0 541.709 5.068 1 0 KKAFRO CNC(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475850 561714720 /nfs/dbraw/zinc/71/47/20/561714720.db2.gz QIPAPFXTAOGTFK-UHFFFAOYSA-N 1 0 516.617 5.487 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479579 561715039 /nfs/dbraw/zinc/71/50/39/561715039.db2.gz OMBXIIQERBKCSZ-FAOMPSFFSA-N 1 0 506.706 6.219 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000013479362 561715055 /nfs/dbraw/zinc/71/50/55/561715055.db2.gz BVIVJZQNXCSKJB-SANMLTNESA-N 1 0 530.656 6.379 1 0 KKAFRO O=C(c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CC[NH2+]CC1 ZINC000013487125 561715131 /nfs/dbraw/zinc/71/51/31/561715131.db2.gz JUXDLXJBIWNUOW-UHFFFAOYSA-N 1 0 515.828 5.721 1 0 KKAFRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000013532201 561717598 /nfs/dbraw/zinc/71/75/98/561717598.db2.gz MKNXUJQNACYJMY-SANMLTNESA-N 1 0 525.674 6.719 1 0 KKAFRO CC[C@@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000013545625 561718171 /nfs/dbraw/zinc/71/81/71/561718171.db2.gz MNBCGEBWVWJMKL-OJDZSJEKSA-N 1 0 514.758 5.932 3 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[N@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553291 561718326 /nfs/dbraw/zinc/71/83/26/561718326.db2.gz XDMMCTICBNVRHD-HXUWFJFHSA-N 1 0 519.592 5.014 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000013560288 561719713 /nfs/dbraw/zinc/71/97/13/561719713.db2.gz QDOTVMNTDPQVQO-UHFFFAOYSA-N 1 0 509.738 6.465 1 0 KKAFRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000013587470 561720761 /nfs/dbraw/zinc/72/07/61/561720761.db2.gz ZOPTUHMWTVWMAV-AREMUKBSSA-N 1 0 521.686 6.679 1 0 KKAFRO c1ccc2c(c1)nc1c(c2SCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013612206 561722029 /nfs/dbraw/zinc/72/20/29/561722029.db2.gz RTNOULQZDCKIIT-UHFFFAOYSA-N 1 0 537.817 9.476 1 0 KKAFRO CNc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643383 561722288 /nfs/dbraw/zinc/72/22/88/561722288.db2.gz XWSIHPCRYGDRLR-UHFFFAOYSA-N 1 0 513.469 5.698 1 0 KKAFRO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643413 561722321 /nfs/dbraw/zinc/72/23/21/561722321.db2.gz ACFHSVNVQHUVJC-UHFFFAOYSA-N 1 0 528.480 5.973 1 0 KKAFRO COc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643461 561722472 /nfs/dbraw/zinc/72/24/72/561722472.db2.gz AMZLIHVZFBYWEX-UHFFFAOYSA-N 1 0 505.486 6.150 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661194 561723540 /nfs/dbraw/zinc/72/35/40/561723540.db2.gz XSULJBUFDAGKHO-YIXXDRMTSA-N 1 0 534.741 6.863 3 0 KKAFRO COc1ccc([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661267 561723621 /nfs/dbraw/zinc/72/36/21/561723621.db2.gz BVLUFAKPRYIHIB-ATIYNZHBSA-N 1 0 527.661 6.740 3 0 KKAFRO C[C@@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759422 561727348 /nfs/dbraw/zinc/72/73/48/561727348.db2.gz SSJMCDCGDWFBTC-DEOSSOPVSA-N 1 0 502.728 5.767 1 0 KKAFRO O=C1N(CCCC[NH+]2CCN(c3cn(-c4ccc(F)cc4)c4ccccc34)CC2)CSC12CCCCC2 ZINC000013759426 561727411 /nfs/dbraw/zinc/72/74/11/561727411.db2.gz CSGPIHKZIYRGPO-UHFFFAOYSA-N 1 0 520.718 5.908 1 0 KKAFRO CCCNc1nc(N2CCC([NH2+]CC3c4ccccc4CCc4ccccc43)CC2)nc2c1ncn2CCC ZINC000013759623 561727510 /nfs/dbraw/zinc/72/75/10/561727510.db2.gz CHSZHUYBQYNXNZ-UHFFFAOYSA-N 1 0 523.729 5.547 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780467 561729180 /nfs/dbraw/zinc/72/91/80/561729180.db2.gz VRPOLMJTYHGPAL-SSHYCOHZSA-N 1 0 506.602 5.365 1 0 KKAFRO CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1 ZINC000013801292 561730534 /nfs/dbraw/zinc/73/05/34/561730534.db2.gz BCVPBGFEPYCMCD-UHFFFAOYSA-N 1 0 520.715 6.350 1 0 KKAFRO O=C([O-])c1ccccc1CCCC1(O)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819406 561732493 /nfs/dbraw/zinc/73/24/93/561732493.db2.gz RPFXOBKYZGYLDY-IGYGKHONSA-N 1 0 518.742 5.830 1 0 KKAFRO O=C([O-])c1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000013819410 561732524 /nfs/dbraw/zinc/73/25/24/561732524.db2.gz JGWJYEWLWJJIHL-IOWSJCHKSA-N 1 0 518.742 5.830 1 0 KKAFRO COC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834320 561734236 /nfs/dbraw/zinc/73/42/36/561734236.db2.gz ZXUHRJCMMVLGNM-UHFFFAOYSA-N 1 0 515.631 6.156 1 0 KKAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014140917 561737082 /nfs/dbraw/zinc/73/70/82/561737082.db2.gz WQCNWXOFRLFZFC-KYJUHHDHSA-N 1 0 568.718 5.132 1 0 KKAFRO O=C(c1ccco1)N1CC[C@@](CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000014191270 561737397 /nfs/dbraw/zinc/73/73/97/561737397.db2.gz XNEIHDJRJHCBGO-SSEXGKCCSA-N 1 0 581.544 5.579 1 0 KKAFRO COc1cccc(OC)c1C(=O)N1CC[C@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000014286343 561739145 /nfs/dbraw/zinc/73/91/45/561739145.db2.gz GFELCGJBQGNHBL-YTTGMZPUSA-N 1 0 610.582 5.704 1 0 KKAFRO Clc1ccc2c(c1Nc1ncnc3cc(OCCC[NH+]4CCCC4)cc(OC4CCOCC4)c31)OCO2 ZINC000014949425 561745017 /nfs/dbraw/zinc/74/50/17/561745017.db2.gz HLILQABBLFGERM-UHFFFAOYSA-N 1 0 527.021 5.178 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2c1 ZINC000014951001 561745869 /nfs/dbraw/zinc/74/58/69/561745869.db2.gz XMUNTFWDTAXUMK-JOCHJYFZSA-N 1 0 533.579 6.355 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCc3ccccc3)c2c1 ZINC000014951058 561745893 /nfs/dbraw/zinc/74/58/93/561745893.db2.gz BILPYABKAWIYLJ-XDIPAPSNSA-N 1 0 538.717 5.503 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]C4CCC4)cc3F)cc12 ZINC000014951124 561745916 /nfs/dbraw/zinc/74/59/16/561745916.db2.gz GNRCGBOCLCDMAC-UHFFFAOYSA-N 1 0 564.543 6.315 1 0 KKAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(-c3ccccc3C[N@@H+](C)C(C)C)cc1)c2=O ZINC000014951269 561746012 /nfs/dbraw/zinc/74/60/12/561746012.db2.gz KLMPGRJKGKGQNY-UHFFFAOYSA-N 1 0 533.636 5.419 1 0 KKAFRO CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2Cl)cc1 ZINC000014953469 561746633 /nfs/dbraw/zinc/74/66/33/561746633.db2.gz JIBPEZNZJOOEKR-UHFFFAOYSA-N 1 0 565.114 6.350 1 0 KKAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000014955951 561747454 /nfs/dbraw/zinc/74/74/54/561747454.db2.gz VCTORVURNRFRGN-UHFFFAOYSA-N 1 0 591.115 5.486 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3[nH]c(=O)c(Cc4ccccc4)nc3-c3ccccc3)cc2)CC1 ZINC000014957913 561748153 /nfs/dbraw/zinc/74/81/53/561748153.db2.gz QLBBPXPJCASIMV-UHFFFAOYSA-N 1 0 567.693 6.175 1 0 KKAFRO O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000014962034 561748575 /nfs/dbraw/zinc/74/85/75/561748575.db2.gz KLXPIHNTOUDGPI-PGUFJCEWSA-N 1 0 541.695 7.005 1 0 KKAFRO CCCC[C@H]([NH2+]C[C@@H]1Cc2cccc(c2)CCCCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961984 561748600 /nfs/dbraw/zinc/74/86/00/561748600.db2.gz JRTACURQOKVHSE-CDZUIXILSA-N 1 0 612.881 5.003 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962951 561748742 /nfs/dbraw/zinc/74/87/42/561748742.db2.gz WKWWQXNWGMMYRC-UHFFFAOYSA-N 1 0 526.255 6.092 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCSC2=[NH2+])c1Cl ZINC000014963161 561748967 /nfs/dbraw/zinc/74/89/67/561748967.db2.gz IAADFSFBXKPDGE-UHFFFAOYSA-N 1 0 570.911 6.100 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2C=[NH+]CC2)c1Cl ZINC000014963184 561748994 /nfs/dbraw/zinc/74/89/94/561748994.db2.gz KAYNNYHFHARCLZ-UHFFFAOYSA-N 1 0 538.844 5.460 1 0 KKAFRO COc1ccc(-n2nc(NC(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969405 561750699 /nfs/dbraw/zinc/75/06/99/561750699.db2.gz ZGFNARQDWZHFIU-HHHXNRCGSA-N 1 0 609.727 5.664 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000014970459 561750940 /nfs/dbraw/zinc/75/09/40/561750940.db2.gz DGVAOEBNVHXSQV-AJQTZOPKSA-N 1 0 617.754 5.243 1 0 KKAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(c6ccccc6)OC[C@@]45C)C[C@H]3C(=O)C[C@]12C)[NH+](C)C ZINC000014969907 561750947 /nfs/dbraw/zinc/75/09/47/561750947.db2.gz BIIMJGJOCAXSQA-DEKOKLSDSA-N 1 0 518.742 5.517 1 0 KKAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(Cc6ccccc6)OC[C@@]45C)C[C@H]3C(=O)C[C@]12C)[NH+](C)C ZINC000014969914 561750971 /nfs/dbraw/zinc/75/09/71/561750971.db2.gz XCRHSESABDNUCE-VLXSPJRJSA-N 1 0 532.769 5.712 1 0 KKAFRO Oc1ccc(-c2c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000014970954 561751046 /nfs/dbraw/zinc/75/10/46/561751046.db2.gz YGODQTYHFUSOPS-UHFFFAOYSA-N 1 0 550.503 6.671 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000014970544 561751086 /nfs/dbraw/zinc/75/10/86/561751086.db2.gz FAURKORJKUNELM-CZNDPXEESA-N 1 0 601.755 5.625 1 0 KKAFRO CCNC(=O)c1noc(-c2cc(-c3ccccc3C)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974916 561752156 /nfs/dbraw/zinc/75/21/56/561752156.db2.gz JFVZYQVOCGBRSH-UHFFFAOYSA-N 1 0 511.622 6.131 1 0 KKAFRO CCN([C@@H]1CC[N@@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 ZINC000014978282 561752694 /nfs/dbraw/zinc/75/26/94/561752694.db2.gz KRUUPTAWGRLNOD-RUZDIDTESA-N 1 0 593.819 5.522 1 0 KKAFRO CC[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017376897 561755130 /nfs/dbraw/zinc/75/51/30/561755130.db2.gz NHBYBGSYODBNPJ-FEVNIDIWSA-N 1 0 569.621 6.931 3 0 KKAFRO O=C(C1=C[C@@H](c2csc3ccccc32)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527423 561755321 /nfs/dbraw/zinc/75/53/21/561755321.db2.gz PTTHOVHGPPERMY-ZUKKLESISA-N 1 0 554.712 5.669 3 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545734 561755968 /nfs/dbraw/zinc/75/59/68/561755968.db2.gz KOKPKPUDWNASTD-WJOKGBTCSA-N 1 0 603.763 6.887 3 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545713 561755990 /nfs/dbraw/zinc/75/59/90/561755990.db2.gz IQNOCJOXCXCTPY-HSZRJFAPSA-N 1 0 559.659 6.121 3 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C ZINC000026149413 561767464 /nfs/dbraw/zinc/76/74/64/561767464.db2.gz WNDVEZVRDLTINH-GASGPIRDSA-N 1 0 690.838 5.290 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017654038 561757257 /nfs/dbraw/zinc/75/72/57/561757257.db2.gz GHSWAFXMCOVQIF-SPOSYKFASA-N 1 0 541.135 7.590 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000017655076 561757778 /nfs/dbraw/zinc/75/77/78/561757778.db2.gz SYJKXQLWHPPSOQ-KAYWLYCHSA-N 1 0 546.708 6.083 1 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654991 561757796 /nfs/dbraw/zinc/75/77/96/561757796.db2.gz NDPZVFGDWNTQOK-SXOMAYOGSA-N 1 0 618.771 6.245 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655206 561757913 /nfs/dbraw/zinc/75/79/13/561757913.db2.gz AFCAOYKFIBILFN-IZZNHLLZSA-N 1 0 606.760 6.100 1 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655091 561757959 /nfs/dbraw/zinc/75/79/59/561757959.db2.gz ZDBKWMSLDSBPEF-UIOOFZCWSA-N 1 0 604.744 5.854 1 0 KKAFRO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000022449264 561759245 /nfs/dbraw/zinc/75/92/45/561759245.db2.gz IOYOOVIEADEXNK-JOCHJYFZSA-N 1 0 575.320 5.637 1 0 KKAFRO O[C@@H](CSCc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924713 561759563 /nfs/dbraw/zinc/75/95/63/561759563.db2.gz SVRLSZPXGSBDMH-GDLZYMKVSA-N 1 0 510.694 5.789 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(OCCCCCC[NH+]2CCN(C)CC2)cc1 ZINC000022925860 561759718 /nfs/dbraw/zinc/75/97/18/561759718.db2.gz RBPYUFYXKFQOOA-UHFFFAOYSA-N 1 0 509.698 6.096 1 0 KKAFRO FC(F)(F)c1cc(COC[C@@H](c2ccc(Cl)c(Cl)c2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926898 561759739 /nfs/dbraw/zinc/75/97/39/561759739.db2.gz WBWPKPCFEIYLFZ-IBGZPJMESA-N 1 0 501.298 6.194 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927757 561759939 /nfs/dbraw/zinc/75/99/39/561759939.db2.gz HUERSZSCUMQRFY-HHHXNRCGSA-N 1 0 518.554 5.177 1 0 KKAFRO CCCCC[C@@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022932266 561760323 /nfs/dbraw/zinc/76/03/23/561760323.db2.gz JUZGVMWDXIFZGB-YTTGMZPUSA-N 1 0 510.682 5.379 1 0 KKAFRO O[C@H](COc1ccnc2cc(C(F)(F)F)ccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022934076 561760563 /nfs/dbraw/zinc/76/05/63/561760563.db2.gz AZZZOUXQECPSMI-VWLOTQADSA-N 1 0 521.583 5.401 1 0 KKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934268 561760667 /nfs/dbraw/zinc/76/06/67/561760667.db2.gz CJDCOIPCGAVFCZ-UHFFFAOYSA-N 1 0 526.552 7.020 1 0 KKAFRO CN(C)c1ccc(NC[C@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941099 561761038 /nfs/dbraw/zinc/76/10/38/561761038.db2.gz ZQBJCKIJBOEXIA-PMERELPUSA-N 1 0 522.684 5.034 1 0 KKAFRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940792 561761058 /nfs/dbraw/zinc/76/10/58/561761058.db2.gz BZFNKUVKRNSKNV-AZGAKELHSA-N 1 0 523.077 5.294 1 0 KKAFRO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941894 561761285 /nfs/dbraw/zinc/76/12/85/561761285.db2.gz SWRITPDTBCAFCK-OALUTQOASA-N 1 0 523.043 5.703 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4cccc5ccccc54)nc3n2)CC1 ZINC000023357781 561761522 /nfs/dbraw/zinc/76/15/22/561761522.db2.gz ODSISTOLPDZKMR-UHFFFAOYSA-N 1 0 615.569 6.845 1 0 KKAFRO COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CC[NH+](C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 ZINC000023357778 561761669 /nfs/dbraw/zinc/76/16/69/561761669.db2.gz MEYPNOVFXMUEAG-UHFFFAOYSA-N 1 0 595.535 5.701 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)CC(C)(C)C)nc3n2)CC1 ZINC000023357784 561761761 /nfs/dbraw/zinc/76/17/61/561761761.db2.gz WRGKWGOMGXCNPV-UHFFFAOYSA-N 1 0 544.531 5.423 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@@H]([NH3+])C4)cc3F)cc12 ZINC000023358206 561761975 /nfs/dbraw/zinc/76/19/75/561761975.db2.gz YHIZCAWNRNQWMF-GOSISDBHSA-N 1 0 579.558 5.206 1 0 KKAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCC[NH3+])c2)cc1 ZINC000025963125 561762843 /nfs/dbraw/zinc/76/28/43/561762843.db2.gz POMULZQWVZXZEN-DHUJRADRSA-N 1 0 602.864 6.107 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000025964546 561763014 /nfs/dbraw/zinc/76/30/14/561763014.db2.gz IUCVMFQGKCHLPG-OVXDMHHOSA-N 1 0 586.754 6.609 1 0 KKAFRO CC[N@H+](CCOc1ccc(C=C2SC(=O)NC2=O)cc1)C[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966394 561763180 /nfs/dbraw/zinc/76/31/80/561763180.db2.gz IDCRXMOPFLSPGO-FCFRYEAASA-N 1 0 510.656 5.126 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc([S@@](C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007838 561765765 /nfs/dbraw/zinc/76/57/65/561765765.db2.gz XHRXIZZVBGIHEP-MFERNQICSA-N 1 0 688.813 6.469 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Br)c(=O)nc1SCc1ccc(F)cc1 ZINC000026008524 561765783 /nfs/dbraw/zinc/76/57/83/561765783.db2.gz SPSIJFFRJLVTRD-UHFFFAOYSA-N 1 0 705.616 7.494 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000026146289 561767197 /nfs/dbraw/zinc/76/71/97/561767197.db2.gz HSXQLHRZQNXUMP-LJAQVGFWSA-N 1 0 572.712 5.244 1 0 KKAFRO CN(CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1)CC[N@H+](C)CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1 ZINC000026165130 561768899 /nfs/dbraw/zinc/76/88/99/561768899.db2.gz ACDQZGAIOXDAGN-UHFFFAOYSA-N 1 0 688.788 5.229 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166964 561769373 /nfs/dbraw/zinc/76/93/73/561769373.db2.gz RSPWHGICVNMFPG-QPPBQGQZSA-N 1 0 504.652 5.097 1 0 KKAFRO O=C(Nc1nccs1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026190185 561773415 /nfs/dbraw/zinc/77/34/15/561773415.db2.gz XMMKDAKHJMUBOB-ISILISOKSA-N 1 0 505.687 7.067 1 0 KKAFRO COc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1 ZINC000026249844 561773882 /nfs/dbraw/zinc/77/38/82/561773882.db2.gz ZTNMIGOUCRNDHM-CONSDPRKSA-N 1 0 587.761 5.403 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294953 561781311 /nfs/dbraw/zinc/78/13/11/561781311.db2.gz BCMOURGLNMDTBL-LOSJGSFVSA-N 1 0 565.545 6.610 1 0 KKAFRO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026268681 561776626 /nfs/dbraw/zinc/77/66/26/561776626.db2.gz CLDRZEYGDIJNNB-UHFFFAOYSA-N 1 0 630.720 6.738 1 0 KKAFRO COc1ccc([C@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268196 561776645 /nfs/dbraw/zinc/77/66/45/561776645.db2.gz QFOQKQPDVPKVEX-HKBQPEDESA-N 1 0 527.771 7.447 1 0 KKAFRO COc1cc(OC2CC[NH+](Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026267824 561776651 /nfs/dbraw/zinc/77/66/51/561776651.db2.gz CYYWEDCKAVRNEW-UHFFFAOYSA-N 1 0 614.743 5.059 1 0 KKAFRO COc1ccc([C@@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274488 561777883 /nfs/dbraw/zinc/77/78/83/561777883.db2.gz ADNUKJKNFPTGRR-MGBGTMOVSA-N 1 0 549.777 7.872 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026380773 561783327 /nfs/dbraw/zinc/78/33/27/561783327.db2.gz SDEVCNUHBOAEOK-RWTOGVPBSA-N 1 0 727.799 6.196 1 0 KKAFRO NC([NH3+])c1ccc([C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382194 561783593 /nfs/dbraw/zinc/78/35/93/561783593.db2.gz ZUMAKLRWNMHPPX-XIFFEERXSA-N 1 0 579.593 7.175 1 0 KKAFRO NC([NH3+])c1ccc([C@H](NC(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382198 561783620 /nfs/dbraw/zinc/78/36/20/561783620.db2.gz ZUMAKLRWNMHPPX-MGBGTMOVSA-N 1 0 579.593 7.175 1 0 KKAFRO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384033 561783867 /nfs/dbraw/zinc/78/38/67/561783867.db2.gz QUJBCVPLCYEHOW-BCWKHWSNSA-N 1 0 657.664 5.256 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385692 561784270 /nfs/dbraw/zinc/78/42/70/561784270.db2.gz FYSKSIBASLMGNL-DYKQPOOOSA-N 1 0 674.694 7.534 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026387481 561784753 /nfs/dbraw/zinc/78/47/53/561784753.db2.gz UCANIHYLIRDVNF-PUPDPRJKSA-N 1 0 739.810 6.434 1 0 KKAFRO NC([NH3+])c1ccc([C@H](NC(=O)OCc2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389941 561785540 /nfs/dbraw/zinc/78/55/40/561785540.db2.gz IYXRXSXQZIARNW-WJOKGBTCSA-N 1 0 567.582 7.032 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026391680 561785919 /nfs/dbraw/zinc/78/59/19/561785919.db2.gz GWNQWBXHDWSYEI-YTTGMZPUSA-N 1 0 628.647 5.568 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC000026392793 561786126 /nfs/dbraw/zinc/78/61/26/561786126.db2.gz LNVGZHWYXBSHQH-UHFFFAOYSA-N 1 0 648.804 7.095 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026477808 561791351 /nfs/dbraw/zinc/79/13/51/561791351.db2.gz SMZQSHCOJPJYFJ-VNGAGHNVSA-N 1 0 648.656 5.281 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480420 561791676 /nfs/dbraw/zinc/79/16/76/561791676.db2.gz QHNQTSSNDKCNAC-RHDVMARJSA-N 1 0 662.683 5.671 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCC ZINC000026483045 561791998 /nfs/dbraw/zinc/79/19/98/561791998.db2.gz RYSGWDNWPBFHGS-AVQAENAPSA-N 1 0 592.592 5.122 1 0 KKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026500006 561795232 /nfs/dbraw/zinc/79/52/32/561795232.db2.gz DMYVDWKBRXSJBY-UHFFFAOYSA-N 1 0 530.640 6.615 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026487215 561792608 /nfs/dbraw/zinc/79/26/08/561792608.db2.gz FBCSVOQZPCKHIA-RHDVMARJSA-N 1 0 629.131 5.305 1 0 KKAFRO CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500151 561795248 /nfs/dbraw/zinc/79/52/48/561795248.db2.gz ULYSBKOLJAVXSU-IZEXYCQBSA-N 1 0 590.834 6.128 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488511 561792886 /nfs/dbraw/zinc/79/28/86/561792886.db2.gz SJNKYSKKDFWLPR-UMSFTDKQSA-N 1 0 589.869 7.143 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026489478 561793033 /nfs/dbraw/zinc/79/30/33/561793033.db2.gz CDJNZFFKFZBPER-XMMPIXPASA-N 1 0 553.124 5.634 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000026507055 561796622 /nfs/dbraw/zinc/79/66/22/561796622.db2.gz SIJRUMGCKUFQJL-XIFFEERXSA-N 1 0 606.163 5.059 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026567726 561797320 /nfs/dbraw/zinc/79/73/20/561797320.db2.gz PINXYVGXMYFCOO-YTTGMZPUSA-N 1 0 641.596 5.107 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026569675 561797783 /nfs/dbraw/zinc/79/77/83/561797783.db2.gz SKQQTPWQQAVLTC-XIFFEERXSA-N 1 0 658.598 5.851 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000026572286 561798310 /nfs/dbraw/zinc/79/83/10/561798310.db2.gz DNKCJBSJSPBJID-ZHACJKMWSA-N 1 0 599.779 8.096 1 0 KKAFRO CC[NH+](CC)CCCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576182 561799965 /nfs/dbraw/zinc/79/99/65/561799965.db2.gz CITYKBCBSLSOSB-UHFFFAOYSA-N 1 0 701.312 7.080 1 0 KKAFRO C[C@@H]1C[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 ZINC000026578012 561802601 /nfs/dbraw/zinc/80/26/01/561802601.db2.gz YMLWABRCWIGFAK-FGZHOGPDSA-N 1 0 532.506 7.437 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026578695 561803714 /nfs/dbraw/zinc/80/37/14/561803714.db2.gz XZHVHHOWNXSPBL-XMMPIXPASA-N 1 0 571.570 6.060 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026580173 561805603 /nfs/dbraw/zinc/80/56/03/561805603.db2.gz QSVIUQSRMGIJPZ-FEERPNRMSA-N 1 0 528.784 5.049 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc2ccccc2c1 ZINC000026640668 561806621 /nfs/dbraw/zinc/80/66/21/561806621.db2.gz OBVUZKZJWYCTTA-RFSGAGRESA-N 1 0 613.802 7.676 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC000026646427 561807551 /nfs/dbraw/zinc/80/75/51/561807551.db2.gz QBEMOEIRUZZYTR-HKBQPEDESA-N 1 0 592.829 5.753 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000026657047 561809515 /nfs/dbraw/zinc/80/95/15/561809515.db2.gz HZUQKHSZVBGHLH-IZZNHLLZSA-N 1 0 510.465 5.275 1 0 KKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000026660710 561810375 /nfs/dbraw/zinc/81/03/75/561810375.db2.gz AYBYDZGKZJGCDX-LBNVMWSVSA-N 1 0 538.132 5.919 1 0 KKAFRO O=C(c1ccccc1-c1ccccc1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026664955 561811008 /nfs/dbraw/zinc/81/10/08/561811008.db2.gz CCGSVSTYVORZET-AFPLUKJUSA-N 1 0 500.686 7.089 1 0 KKAFRO C[C@@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(N)=[NH2+])c1)c1ccccc1 ZINC000026668083 561811611 /nfs/dbraw/zinc/81/16/11/561811611.db2.gz PXFITNRGNDJUHQ-JOCHJYFZSA-N 1 0 502.618 6.044 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH+](C4CC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026669985 561812080 /nfs/dbraw/zinc/81/20/80/561812080.db2.gz REHOHQGHQQNSLP-UHFFFAOYSA-N 1 0 544.885 8.156 1 0 KKAFRO Cc1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026674112 561813323 /nfs/dbraw/zinc/81/33/23/561813323.db2.gz NUUXFRVGZFYRQH-VOLSFDEHSA-N 1 0 621.674 8.318 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674617 561813620 /nfs/dbraw/zinc/81/36/20/561813620.db2.gz XHIAYAAKBSHSOX-PGUFJCEWSA-N 1 0 596.728 5.358 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@]2(c3ccc(OC)c(OC)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026716034 561814020 /nfs/dbraw/zinc/81/40/20/561814020.db2.gz OEJHRMYSNOPXGZ-RWYGWLOXSA-N 1 0 728.887 5.885 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000026716038 561814074 /nfs/dbraw/zinc/81/40/74/561814074.db2.gz LQNLNHOIPAAEJI-VQJSHJPSSA-N 1 0 705.831 6.413 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026720548 561815070 /nfs/dbraw/zinc/81/50/70/561815070.db2.gz BSVGNAQMDXJFNE-PGUFJCEWSA-N 1 0 665.618 6.664 1 0 KKAFRO CN(CC[NH+](C)C)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026724287 561815646 /nfs/dbraw/zinc/81/56/46/561815646.db2.gz HUUSVDCCWNOULF-UHFFFAOYSA-N 1 0 509.098 5.050 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026724920 561815781 /nfs/dbraw/zinc/81/57/81/561815781.db2.gz ADZSGFZICHOKOJ-LDLOPFEMSA-N 1 0 668.835 5.868 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026728229 561816288 /nfs/dbraw/zinc/81/62/88/561816288.db2.gz BNKGLONSJXLHNY-RVLOQZQWSA-N 1 0 520.629 5.152 1 0 KKAFRO CC(C)c1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000026736172 561817483 /nfs/dbraw/zinc/81/74/83/561817483.db2.gz XQVCGASSCXKYEN-UHFFFAOYSA-N 1 0 501.077 5.437 1 0 KKAFRO O=C([O-])Cc1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026750731 561819656 /nfs/dbraw/zinc/81/96/56/561819656.db2.gz IMCPBPJBIKCDDJ-AJQTZOPKSA-N 1 0 532.769 5.759 1 0 KKAFRO O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000026832766 561823330 /nfs/dbraw/zinc/82/33/30/561823330.db2.gz MRVANJKCNSLBID-DLFZDVPBSA-N 1 0 520.677 5.684 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026835867 561824369 /nfs/dbraw/zinc/82/43/69/561824369.db2.gz YQCQEQGDXWNQQT-BYYXFNHRSA-N 1 0 670.254 6.755 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838385 561825036 /nfs/dbraw/zinc/82/50/36/561825036.db2.gz DDSLRSIEDFCEEP-CMYVPTINSA-N 1 0 562.113 7.663 1 0 KKAFRO C[N@H+](CCCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026839135 561825146 /nfs/dbraw/zinc/82/51/46/561825146.db2.gz HRSZLILMOUCKMN-SSEXGKCCSA-N 1 0 570.796 6.471 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCCCC2)c(C(C)C)c1 ZINC000026841323 561825839 /nfs/dbraw/zinc/82/58/39/561825839.db2.gz PKRNQRHOCABJKO-LJAQVGFWSA-N 1 0 568.828 6.023 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026843057 561826091 /nfs/dbraw/zinc/82/60/91/561826091.db2.gz BQRVLHNYCPOZSY-ZBWWXOROSA-N 1 0 621.782 5.928 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026844854 561826397 /nfs/dbraw/zinc/82/63/97/561826397.db2.gz GILCGZNDDDZZSV-WJOKGBTCSA-N 1 0 587.855 7.339 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2OCc2cccc3c2NCCC3)cc1 ZINC000027081269 561835139 /nfs/dbraw/zinc/83/51/39/561835139.db2.gz GRMUUYATJYSIHM-SMCANUKXSA-N 1 0 516.682 5.701 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000026848216 561826926 /nfs/dbraw/zinc/82/69/26/561826926.db2.gz IORNNFZUEYOWBO-PMERELPUSA-N 1 0 646.676 5.933 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(CC3CC[NH+](C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 ZINC000026850561 561827135 /nfs/dbraw/zinc/82/71/35/561827135.db2.gz XVOCHVRQMXWEQB-UHFFFAOYSA-N 1 0 600.756 6.380 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026960642 561829675 /nfs/dbraw/zinc/82/96/75/561829675.db2.gz IKTCQXBLEMUSIF-RDPSFJRHSA-N 1 0 545.558 5.408 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026969470 561830333 /nfs/dbraw/zinc/83/03/33/561830333.db2.gz DTZAAXDHXCAIEY-HOGKFDNTSA-N 1 0 535.588 5.883 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccnc([C@H](C)O)c2)c1 ZINC000026982290 561831456 /nfs/dbraw/zinc/83/14/56/561831456.db2.gz AFYQABBRKIZIFQ-HDJMCZFGSA-N 1 0 606.855 7.514 1 0 KKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(C[NH2+]Cc4cc(=O)[nH]c(=O)[nH]4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027082578 561835455 /nfs/dbraw/zinc/83/54/55/561835455.db2.gz WMOPKFGSRKWBOI-UHFFFAOYSA-N 1 0 574.766 5.230 1 0 KKAFRO CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998188 561833773 /nfs/dbraw/zinc/83/37/73/561833773.db2.gz QDLKZCSBLHDQJF-OHAFWCNASA-N 1 0 703.994 6.716 1 0 KKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 ZINC000027080243 561834877 /nfs/dbraw/zinc/83/48/77/561834877.db2.gz LXDLTMGFYBADHU-UHFFFAOYSA-N 1 0 537.340 7.197 1 0 KKAFRO COc1ccc([S@@](=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027095349 561837827 /nfs/dbraw/zinc/83/78/27/561837827.db2.gz RECCLQSOJLZNGQ-TUBISRQQSA-N 1 0 616.824 6.164 1 0 KKAFRO CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106202 561840196 /nfs/dbraw/zinc/84/01/96/561840196.db2.gz XLLDPLOTIOIWDK-YRCZKMHPSA-N 1 0 681.944 5.226 1 0 KKAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106868 561840222 /nfs/dbraw/zinc/84/02/22/561840222.db2.gz JKPVPRNBQSDFKM-YGXYGYJOSA-N 1 0 681.944 5.082 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108517 561840883 /nfs/dbraw/zinc/84/08/83/561840883.db2.gz HVQORTSVHNWKTB-SSEXGKCCSA-N 1 0 679.306 5.419 1 0 KKAFRO C[C@@H](C[C@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179900 561841635 /nfs/dbraw/zinc/84/16/35/561841635.db2.gz ONTDQIVDLLQOGA-FIBWVYCGSA-N 1 0 519.751 6.263 1 0 KKAFRO CN(C)c1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189710 561843292 /nfs/dbraw/zinc/84/32/92/561843292.db2.gz LFBIGQYVSBGFCA-UHFFFAOYSA-N 1 0 622.741 6.905 1 0 KKAFRO C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000027202325 561845334 /nfs/dbraw/zinc/84/53/34/561845334.db2.gz IJYZMCPKJNTQOS-FQEVSTJZSA-N 1 0 550.619 5.014 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027329834 561854554 /nfs/dbraw/zinc/85/45/54/561854554.db2.gz GKAJTCCMZCXKFH-UHFFFAOYSA-N 1 0 650.795 7.671 1 0 KKAFRO CCC[NH+](CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(I)cc3)ccc2C1 ZINC000027329978 561854647 /nfs/dbraw/zinc/85/46/47/561854647.db2.gz IZZMBWJXQOJUHH-JOCHJYFZSA-N 1 0 511.469 5.244 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)NCCCc2ccccc2)cn3Cc2ccccc2F)cc1 ZINC000027331187 561855042 /nfs/dbraw/zinc/85/50/42/561855042.db2.gz VCLRZYGHUPYVKQ-UHFFFAOYSA-N 1 0 712.870 7.126 1 0 KKAFRO CC[NH+](CC)CCO/N=C1\C=C[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]32)C1(C)C ZINC000027410511 561856290 /nfs/dbraw/zinc/85/62/90/561856290.db2.gz KPLRMIZYYDOWGI-BVGPPCAOSA-N 1 0 550.784 7.384 1 0 KKAFRO COc1ccc(OC)c([C@@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000027439481 561860584 /nfs/dbraw/zinc/86/05/84/561860584.db2.gz RMDXBSYLFLAMKO-AREMUKBSSA-N 1 0 601.632 6.092 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027440933 561860740 /nfs/dbraw/zinc/86/07/40/561860740.db2.gz LUZCMPFRWPPMHW-TVNVSJRUSA-N 1 0 603.188 5.876 1 0 KKAFRO O=C(CC[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027441751 561860808 /nfs/dbraw/zinc/86/08/08/561860808.db2.gz OIYKMXFSNDBSER-DIPNUNPCSA-N 1 0 681.325 6.941 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441530 561860842 /nfs/dbraw/zinc/86/08/42/561860842.db2.gz BPJQTFBWWDTAEA-VWLOTQADSA-N 1 0 620.476 6.837 1 0 KKAFRO CN(C)C(=O)OC[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027517562 561861306 /nfs/dbraw/zinc/86/13/06/561861306.db2.gz BLGSPSWMLDHVCJ-WJOKGBTCSA-N 1 0 612.707 5.747 1 0 KKAFRO CN(C[C@@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517647 561861406 /nfs/dbraw/zinc/86/14/06/561861406.db2.gz QZMOFNPUSZXVHM-HHHXNRCGSA-N 1 0 569.634 6.287 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccc(O)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517873 561861576 /nfs/dbraw/zinc/86/15/76/561861576.db2.gz RSGMZXPCQXVPBQ-RUZDIDTESA-N 1 0 557.579 5.780 1 0 KKAFRO CCn1nccc1NC(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@H]1CCCC[NH2+]1 ZINC000027518103 561861861 /nfs/dbraw/zinc/86/18/61/561861861.db2.gz PTTTXYBAHSBHFC-OAQYLSRUSA-N 1 0 548.087 5.845 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(C[C@H](C)CNC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027518148 561861940 /nfs/dbraw/zinc/86/19/40/561861940.db2.gz WXHQKCAVQNGVSD-KBTGMKBMSA-N 1 0 603.188 5.734 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000027518519 561862389 /nfs/dbraw/zinc/86/23/89/561862389.db2.gz HWAOAHKCJZNXSB-RUZDIDTESA-N 1 0 580.569 6.116 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518809 561862641 /nfs/dbraw/zinc/86/26/41/561862641.db2.gz MSZUEUSSCFWRMD-FQEVSTJZSA-N 1 0 532.044 5.419 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518810 561862661 /nfs/dbraw/zinc/86/26/61/561862661.db2.gz MSZUEUSSCFWRMD-HXUWFJFHSA-N 1 0 532.044 5.419 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)NCc4ccc5c(c4)OCO5)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027520615 561863643 /nfs/dbraw/zinc/86/36/43/561863643.db2.gz LMRIBXOMAVQMDQ-QHCPKHFHSA-N 1 0 588.104 6.035 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@@H]2CCCC[NH2+]2)on1 ZINC000027520686 561863696 /nfs/dbraw/zinc/86/36/96/561863696.db2.gz YPAPRBRATLYPAO-FQEVSTJZSA-N 1 0 535.044 5.925 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526208 561866129 /nfs/dbraw/zinc/86/61/29/561866129.db2.gz CHKOUYJMMIYLHA-PMERELPUSA-N 1 0 602.682 5.660 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccccc2I)CC1 ZINC000027527317 561866749 /nfs/dbraw/zinc/86/67/49/561866749.db2.gz OBHRVAZKNJHFNC-UHFFFAOYSA-N 1 0 520.480 5.653 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)N1CCN([C@@H]2CCCN(c3ccccc3)C2)C1=O ZINC000027555499 561869447 /nfs/dbraw/zinc/86/94/47/561869447.db2.gz ZIGSKINRKYMVCJ-UUWHRVBPSA-N 1 0 630.834 5.002 1 0 KKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000027555935 561869628 /nfs/dbraw/zinc/86/96/28/561869628.db2.gz AUPOFGLWTRODIP-UHFFFAOYSA-N 1 0 520.517 7.733 1 0 KKAFRO O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000027556925 561869787 /nfs/dbraw/zinc/86/97/87/561869787.db2.gz AWALKBINULQLLD-JGCGQSQUSA-N 1 0 543.707 7.207 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633606 561874101 /nfs/dbraw/zinc/87/41/01/561874101.db2.gz UMLDLWMDFVEGKD-NHZFLZHXSA-N 1 0 675.940 5.417 1 0 KKAFRO CCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(CC)Oc4c5c(ccc4O)C[C@H]1[N@@H+](CCc1ccccc1)CC[C@]532 ZINC000027619145 561872297 /nfs/dbraw/zinc/87/22/97/561872297.db2.gz AYRNZORVOFXDDC-XZLGBSMGSA-N 1 0 520.673 6.014 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621302 561872545 /nfs/dbraw/zinc/87/25/45/561872545.db2.gz ASSBEMCEDOONKS-YTTGMZPUSA-N 1 0 597.631 5.465 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)nc3)cc1)CC2 ZINC000027655226 561877255 /nfs/dbraw/zinc/87/72/55/561877255.db2.gz HKFOOHUJNPTUOS-UHFFFAOYSA-N 1 0 550.659 5.513 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCCCCCCCCCCCCCCOC)C1 ZINC000027739403 561882273 /nfs/dbraw/zinc/88/22/73/561882273.db2.gz GMHWSJTUCKIFIV-XDFJSJKPSA-N 1 0 577.827 6.966 1 0 KKAFRO Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(CN(Cc3cccc(F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027844205 561885394 /nfs/dbraw/zinc/88/53/94/561885394.db2.gz SZIAAKCKYJYFAG-UHFFFAOYSA-N 1 0 608.724 6.725 1 0 KKAFRO CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)NCC[NH+](C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027871391 561888349 /nfs/dbraw/zinc/88/83/49/561888349.db2.gz PGHIPIGOJWYVSA-AJGLSPHZSA-N 1 0 556.876 7.398 1 0 KKAFRO CN1CC[NH+](C2CCN(C(=O)c3ccc4n3Cc3ccccc3N(C(=O)c3ccc(NC(=O)c5ccccc5-c5ccccc5)cc3Cl)C4)CC2)CC1 ZINC000027871511 561888421 /nfs/dbraw/zinc/88/84/21/561888421.db2.gz UHNJWHQAMVHFMQ-UHFFFAOYSA-N 1 0 727.309 7.122 1 0 KKAFRO CO/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986300 561892371 /nfs/dbraw/zinc/89/23/71/561892371.db2.gz IQNVLMRVUGAEBD-CEIJNUMJSA-N 1 0 676.525 9.235 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027993759 561893458 /nfs/dbraw/zinc/89/34/58/561893458.db2.gz UVIXQCOSONGMSQ-UMSFTDKQSA-N 1 0 654.591 5.398 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CN(c5ccccc5)C(=O)O4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997268 561894022 /nfs/dbraw/zinc/89/40/22/561894022.db2.gz VWCOBWHKSGSQKJ-UMSFTDKQSA-N 1 0 670.590 6.226 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027998931 561894284 /nfs/dbraw/zinc/89/42/84/561894284.db2.gz JROZJKNRDPMAJA-HKBQPEDESA-N 1 0 616.542 5.113 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028006848 561895598 /nfs/dbraw/zinc/89/55/98/561895598.db2.gz WYTXVYFAHIKUPX-YTTGMZPUSA-N 1 0 579.162 7.260 1 0 KKAFRO CC[N@H+](CCCCOc1ccc(OC)cc1[C@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007378 561895755 /nfs/dbraw/zinc/89/57/55/561895755.db2.gz UGNMCZFQVXPEMK-MGBGTMOVSA-N 1 0 594.774 6.602 1 0 KKAFRO CC[N@H+](CCCCOc1ccc(OC)cc1[C@@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007374 561895787 /nfs/dbraw/zinc/89/57/87/561895787.db2.gz UGNMCZFQVXPEMK-XIFFEERXSA-N 1 0 594.774 6.602 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011947 561896486 /nfs/dbraw/zinc/89/64/86/561896486.db2.gz VRSATUGIONHPSW-PMERELPUSA-N 1 0 536.694 5.813 1 0 KKAFRO CCn1nc(CC2CCCCC2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013621 561896839 /nfs/dbraw/zinc/89/68/39/561896839.db2.gz RODLAWWELODJBV-HYRLGQOJSA-N 1 0 552.779 6.169 1 0 KKAFRO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014160 561896992 /nfs/dbraw/zinc/89/69/92/561896992.db2.gz QIEIGBFFSMMDGS-HMQVCXRFSA-N 1 0 654.793 7.580 1 0 KKAFRO CCn1nc(Cc2ccc(F)cc2F)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015684 561897321 /nfs/dbraw/zinc/89/73/21/561897321.db2.gz HLXHQRLDYFRWRZ-OBAPADDSSA-N 1 0 622.776 6.840 1 0 KKAFRO COc1cc(CC(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028018316 561897889 /nfs/dbraw/zinc/89/78/89/561897889.db2.gz RPMPXKASBWJZPP-UMSFTDKQSA-N 1 0 654.635 5.641 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021356 561898494 /nfs/dbraw/zinc/89/84/94/561898494.db2.gz OYTNIRQQOVWLED-NGZLLANBSA-N 1 0 618.838 6.814 1 0 KKAFRO COc1ccc(OCCCC[N@H+](CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022577 561898786 /nfs/dbraw/zinc/89/87/86/561898786.db2.gz BCCBFGWJXWGRSI-UUWRZZSWSA-N 1 0 606.785 6.745 1 0 KKAFRO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1 ZINC000028108070 561902655 /nfs/dbraw/zinc/90/26/55/561902655.db2.gz QJPSGDXCCOBLIC-AHKZPQOWSA-N 1 0 530.632 5.177 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028086495 561899146 /nfs/dbraw/zinc/89/91/46/561899146.db2.gz ZKGRNGWUBQYAGP-JGCGQSQUSA-N 1 0 610.582 5.704 1 0 KKAFRO COc1ccc(OCCCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028090959 561899927 /nfs/dbraw/zinc/89/99/27/561899927.db2.gz BMKMLQSUONUBTC-PSXMRANNSA-N 1 0 633.855 6.669 1 0 KKAFRO C[NH+]1CCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028092045 561900094 /nfs/dbraw/zinc/90/00/94/561900094.db2.gz FIXOUFMNZULNKP-UHFFFAOYSA-N 1 0 560.485 6.312 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccccc1 ZINC000028092261 561900121 /nfs/dbraw/zinc/90/01/21/561900121.db2.gz UKXFQNNXQPKCRG-AZGAKELHSA-N 1 0 516.605 5.248 1 0 KKAFRO O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028093130 561900393 /nfs/dbraw/zinc/90/03/93/561900393.db2.gz MVWIZZHMSROILD-MGBGTMOVSA-N 1 0 636.881 5.832 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028095094 561900634 /nfs/dbraw/zinc/90/06/34/561900634.db2.gz MLKJWAJODRUMOO-CRJIABDTSA-N 1 0 700.921 6.860 1 0 KKAFRO NC(=[NH2+])c1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)cc1 ZINC000028095459 561900814 /nfs/dbraw/zinc/90/08/14/561900814.db2.gz GYUATFLJUUGKLI-UHFFFAOYSA-N 1 0 504.377 5.844 1 0 KKAFRO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028099268 561901267 /nfs/dbraw/zinc/90/12/67/561901267.db2.gz DKLYXIOKIUWOPO-XKYGAVHWSA-N 1 0 632.865 7.206 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028101908 561901637 /nfs/dbraw/zinc/90/16/37/561901637.db2.gz KXTISGVXSYBLGP-KLTPPHAJSA-N 1 0 626.764 6.629 1 0 KKAFRO O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028115010 561903676 /nfs/dbraw/zinc/90/36/76/561903676.db2.gz OYBDEFVUQBRAKV-DEOSSOPVSA-N 1 0 543.461 6.825 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000028116902 561903907 /nfs/dbraw/zinc/90/39/07/561903907.db2.gz HWPHQPMZIHYQFM-FQEVSTJZSA-N 1 0 539.498 6.517 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028118695 561904262 /nfs/dbraw/zinc/90/42/62/561904262.db2.gz HBMQRAUFUVCBQD-HTGHOQDLSA-N 1 0 575.775 5.388 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028123526 561904597 /nfs/dbraw/zinc/90/45/97/561904597.db2.gz HCNXPYMDAMAEAE-RPBOFIJWSA-N 1 0 590.756 6.675 1 0 KKAFRO CCO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028131138 561905623 /nfs/dbraw/zinc/90/56/23/561905623.db2.gz BCTREWRHSJQVCU-SKCUWOTOSA-N 1 0 526.508 6.116 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3ccc(Cl)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028131616 561905788 /nfs/dbraw/zinc/90/57/88/561905788.db2.gz FQKFCSCEGXBUGR-SANMLTNESA-N 1 0 530.109 6.202 1 0 KKAFRO CC(=O)NC[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135801 561906578 /nfs/dbraw/zinc/90/65/78/561906578.db2.gz YXKQDJSENLLDCP-RCZVLFRGSA-N 1 0 553.534 5.463 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000028217951 561907020 /nfs/dbraw/zinc/90/70/20/561907020.db2.gz NLKHDWGHJGIYPF-UHFFFAOYSA-N 1 0 702.719 6.755 1 0 KKAFRO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000028138106 561907050 /nfs/dbraw/zinc/90/70/50/561907050.db2.gz MHVZXSDEYRUEFS-UHFFFAOYSA-N 1 0 526.814 8.417 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028242997 561910621 /nfs/dbraw/zinc/91/06/21/561910621.db2.gz RCISFYDBGIFBSU-JLHYYAGUSA-N 1 0 558.520 6.069 1 0 KKAFRO CC(=O)Nc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028344867 561914669 /nfs/dbraw/zinc/91/46/69/561914669.db2.gz YLHALWMQFXSNLR-MUUNZHRXSA-N 1 0 552.716 5.507 1 0 KKAFRO CCNC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028245484 561910740 /nfs/dbraw/zinc/91/07/40/561910740.db2.gz QXPNCZJTKXSGQY-UHFFFAOYSA-N 1 0 665.766 6.981 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028336646 561913434 /nfs/dbraw/zinc/91/34/34/561913434.db2.gz MQFKIDUREUWWAN-UHFFFAOYSA-N 1 0 547.765 5.015 1 0 KKAFRO COc1cc([C@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1 ZINC000028338317 561913698 /nfs/dbraw/zinc/91/36/98/561913698.db2.gz PVRUWGCKIMLDRQ-UMSFTDKQSA-N 1 0 634.758 5.861 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CC(C)(C)C)C(C)C ZINC000028339196 561913718 /nfs/dbraw/zinc/91/37/18/561913718.db2.gz OWVVIYWQZSLTPF-LJAQVGFWSA-N 1 0 507.719 5.363 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1F)C(C)C ZINC000028339210 561913842 /nfs/dbraw/zinc/91/38/42/561913842.db2.gz NGEFURRUCWYGGW-PMERELPUSA-N 1 0 531.672 5.379 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C(=[NH2+])N(C)C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028230881 561909078 /nfs/dbraw/zinc/90/90/78/561909078.db2.gz GRHWNMMRWSUQQJ-UHFFFAOYSA-N 1 0 508.025 6.794 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028235872 561909639 /nfs/dbraw/zinc/90/96/39/561909639.db2.gz WPQUSTXDJJWMBZ-LXLYTFERSA-N 1 0 524.696 6.359 1 0 KKAFRO CO[P@@](=O)(CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236796 561909784 /nfs/dbraw/zinc/90/97/84/561909784.db2.gz RPBLAMOSILDGGB-UUABLTJASA-N 1 0 556.659 5.447 1 0 KKAFRO COc1cc(NC(=O)Nc2ccccc2Oc2ccccc2)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000028359196 561916614 /nfs/dbraw/zinc/91/66/14/561916614.db2.gz HCVLKNZCNGIOLS-UHFFFAOYSA-N 1 0 502.615 5.737 1 0 KKAFRO O=C1[C@@H]2C[C@H]([NH2+]CCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028367499 561917866 /nfs/dbraw/zinc/91/78/66/561917866.db2.gz KEGIKKGRRNLCNC-UPVQGACJSA-N 1 0 559.291 6.165 1 0 KKAFRO C[C@H]([NH2+]C1CCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373484 561918714 /nfs/dbraw/zinc/91/87/14/561918714.db2.gz JNWGDHXQXYFGAM-YMHHMKOLSA-N 1 0 614.234 5.024 1 0 KKAFRO COc1cc2c(cc1OCCCCCOc1ccc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028386488 561921245 /nfs/dbraw/zinc/92/12/45/561921245.db2.gz XDNDFQOESJDNTO-MHZLTWQESA-N 1 0 622.770 5.939 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028397592 561923301 /nfs/dbraw/zinc/92/33/01/561923301.db2.gz RBKDACLJKAMLFN-PWAOXRIQSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)N(C)C(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455349 561923556 /nfs/dbraw/zinc/92/35/56/561923556.db2.gz VMDMREAZDDFEQM-OGZQLISNSA-N 1 0 635.205 6.358 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCc3ccccc3[C@@]2(C)[NH3+])CC1 ZINC000028458877 561924640 /nfs/dbraw/zinc/92/46/40/561924640.db2.gz NMZQXNVSJCWFFD-PCJZJSDKSA-N 1 0 635.293 5.908 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000028460925 561925105 /nfs/dbraw/zinc/92/51/05/561925105.db2.gz QOTHFQDQDBUSQQ-UHFFFAOYSA-N 1 0 576.490 9.125 1 0 KKAFRO CC(C)c1ccc(-n2c3ccccc3n3c(C[NH+](CC4CC4)CC4CC4)c(C(F)(F)F)nc32)c(Br)c1 ZINC000028468736 561926622 /nfs/dbraw/zinc/92/66/22/561926622.db2.gz BKKXITYDRZGGKR-UHFFFAOYSA-N 1 0 559.474 7.805 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[C@H]2[NH3+])CC1 ZINC000028464412 561926070 /nfs/dbraw/zinc/92/60/70/561926070.db2.gz XLDGDUSCVKLZIR-JFHPUIQFSA-N 1 0 621.266 5.213 1 0 KKAFRO COc1cccc(OC)c1CC(=O)N1CC[C@@H](C)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527654 561932589 /nfs/dbraw/zinc/93/25/89/561932589.db2.gz HWPIJKYZIWLKPB-HSZRJFAPSA-N 1 0 570.759 5.761 1 0 KKAFRO O=C1N(CC[N@@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccc(Cl)cc2)CCN1c1ccncc1 ZINC000028476013 561928185 /nfs/dbraw/zinc/92/81/85/561928185.db2.gz BPOYHJWKBMNMQM-UHFFFAOYSA-N 1 0 561.513 6.879 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929238 /nfs/dbraw/zinc/92/92/38/561929238.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 1 0 572.647 6.031 1 0 KKAFRO CC[N@H+]1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522351 561929571 /nfs/dbraw/zinc/92/95/71/561929571.db2.gz QKCBSVCHRGFMBU-PSWAGMNNSA-N 1 0 534.704 6.341 1 0 KKAFRO CC(=O)NCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4ccccc4)cc3)cc2)n1 ZINC000028523429 561930091 /nfs/dbraw/zinc/93/00/91/561930091.db2.gz VQOAYUJCYISDCB-YTTGMZPUSA-N 1 0 620.841 5.249 1 0 KKAFRO OCCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028523762 561930434 /nfs/dbraw/zinc/93/04/34/561930434.db2.gz FLCUTDJFPNFUNM-ZYADHFCISA-N 1 0 586.773 6.155 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(CCc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000028524098 561930762 /nfs/dbraw/zinc/93/07/62/561930762.db2.gz JJGWWEDESAXGQO-QNGWXLTQSA-N 1 0 647.866 7.339 1 0 KKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(I)cc1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028525688 561931515 /nfs/dbraw/zinc/93/15/15/561931515.db2.gz QLRMGNJTVYDLFP-UHFFFAOYSA-N 1 0 556.404 5.404 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028527322 561932388 /nfs/dbraw/zinc/93/23/88/561932388.db2.gz GVPVYHKORBHADC-NDEPHWFRSA-N 1 0 587.613 6.475 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000028528366 561933054 /nfs/dbraw/zinc/93/30/54/561933054.db2.gz WOFJBCANNLHJIE-WJOKGBTCSA-N 1 0 548.749 5.176 1 0 KKAFRO CC(=O)NC(C)(C)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)n2)s1 ZINC000028564203 561935658 /nfs/dbraw/zinc/93/56/58/561935658.db2.gz LBJKDVWECYXKJZ-UHFFFAOYSA-N 1 0 560.768 5.496 1 0 KKAFRO O=c1ccc2c(-c3ccc(F)cc3Cl)cc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2n1-c1c(Cl)cccc1Cl ZINC000028565236 561936022 /nfs/dbraw/zinc/93/60/22/561936022.db2.gz PULZCVVMWDBVFZ-QNBRMCRTSA-N 1 0 527.854 7.755 1 0 KKAFRO COc1cccc2c1CCCC(=O)N2CCCC[NH+]1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000028568379 561937279 /nfs/dbraw/zinc/93/72/79/561937279.db2.gz ZXIPYIPSODOSDY-UHFFFAOYSA-N 1 0 533.639 5.073 1 0 KKAFRO Cc1ccccc1-c1ccc(N2CC[NH+](C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570649 561938993 /nfs/dbraw/zinc/93/89/93/561938993.db2.gz OSYVUOXSTALYLM-UHFFFAOYSA-N 1 0 550.547 6.119 1 0 KKAFRO Cc1ccccc1-c1nc(N2CC[NH+](C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570987 561939149 /nfs/dbraw/zinc/93/91/49/561939149.db2.gz XBFMATCYYBERSR-UHFFFAOYSA-N 1 0 579.589 6.182 1 0 KKAFRO COc1cccc(CC(=O)N2CC[C@@H](C)c3cccc(CC[NH+]4CCN(c5nsc6ccccc65)CC4)c32)c1 ZINC000028528460 561932996 /nfs/dbraw/zinc/93/29/96/561932996.db2.gz LHFSUAZTBWHHAU-HSZRJFAPSA-N 1 0 540.733 5.753 1 0 KKAFRO COc1cccc(CC(=O)N2CC[C@H](C)c3cccc(CC[NH+]4CCN(c5nsc6ccccc65)CC4)c32)c1 ZINC000028528461 561933000 /nfs/dbraw/zinc/93/30/00/561933000.db2.gz LHFSUAZTBWHHAU-QHCPKHFHSA-N 1 0 540.733 5.753 1 0 KKAFRO CC(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028572237 561939911 /nfs/dbraw/zinc/93/99/11/561939911.db2.gz COXCAIDQRKEXTF-JYFHCDHNSA-N 1 0 551.675 5.331 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(OCCO)cc3)cc2)cc1 ZINC000028604448 561940712 /nfs/dbraw/zinc/94/07/12/561940712.db2.gz ROGCENAOUIXFGX-UHFFFAOYSA-N 1 0 572.834 8.002 1 0 KKAFRO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000028635727 561941165 /nfs/dbraw/zinc/94/11/65/561941165.db2.gz ZDXNUXZMUQANIQ-VZUYHUTRSA-N 1 0 619.832 7.221 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 ZINC000028636654 561941399 /nfs/dbraw/zinc/94/13/99/561941399.db2.gz CIXYXKBZBPULRJ-MGBGTMOVSA-N 1 0 612.782 6.277 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@H+](C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028638203 561942067 /nfs/dbraw/zinc/94/20/67/561942067.db2.gz MUISGHGKIVJIPQ-WUKNDPDISA-N 1 0 616.755 5.268 1 0 KKAFRO COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028709296 561950651 /nfs/dbraw/zinc/95/06/51/561950651.db2.gz HUGPOKQFPMHWDN-DHUJRADRSA-N 1 0 580.750 6.932 1 0 KKAFRO COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028709298 561950684 /nfs/dbraw/zinc/95/06/84/561950684.db2.gz HUGPOKQFPMHWDN-PGUFJCEWSA-N 1 0 580.750 6.932 1 0 KKAFRO O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c43)[C@@H]3Oc4c6c(ccc4O)C[C@H]4[N@@H+](CC7CC7)CC[C@]63[C@@]4(O)C5)cc2cc1C=O ZINC000028709958 561950875 /nfs/dbraw/zinc/95/08/75/561950875.db2.gz FAAITYPIDMPBCP-GSMBKCQZSA-N 1 0 639.708 5.603 1 0 KKAFRO CCS(=O)(=O)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710085 561950982 /nfs/dbraw/zinc/95/09/82/561950982.db2.gz QQOLSZOGLJIRPW-UHFFFAOYSA-N 1 0 537.703 6.725 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[N@@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702735 561947124 /nfs/dbraw/zinc/94/71/24/561947124.db2.gz KOQXGZHDIQDDAK-VEVKCIFTSA-N 1 0 650.689 7.236 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[NH+]2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702745 561947213 /nfs/dbraw/zinc/94/72/13/561947213.db2.gz JRZDQMSADLMGPH-HSZRJFAPSA-N 1 0 627.655 6.060 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cscn1 ZINC000028702879 561947526 /nfs/dbraw/zinc/94/75/26/561947526.db2.gz RXCQOSUDONGEDG-HSZRJFAPSA-N 1 0 555.588 6.850 1 0 KKAFRO CCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704064 561948226 /nfs/dbraw/zinc/94/82/26/561948226.db2.gz QVUCDCFWXARAJF-DUFLRHOZSA-N 1 0 528.634 7.106 1 0 KKAFRO CC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704052 561948304 /nfs/dbraw/zinc/94/83/04/561948304.db2.gz WZPMKCZRNPIWHY-DAORKYKSSA-N 1 0 514.607 6.716 1 0 KKAFRO COC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704088 561948307 /nfs/dbraw/zinc/94/83/07/561948307.db2.gz PBLHODZBJXXWDD-DAORKYKSSA-N 1 0 530.606 5.953 1 0 KKAFRO O=C1Cc2c(-c3ccc(OCCCC[NH+]4CCOCC4)cc3)cc(-c3cccc(Cl)c3)nc2-c2ccccc2N1 ZINC000028704151 561948433 /nfs/dbraw/zinc/94/84/33/561948433.db2.gz IRTQHSMDQPSFKP-UHFFFAOYSA-N 1 0 554.090 6.722 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccccc5)cc4)CC3)C2=O)c1 ZINC000028704516 561948722 /nfs/dbraw/zinc/94/87/22/561948722.db2.gz QJRUNBLNDIRCPC-UHFFFAOYSA-N 1 0 549.646 6.505 1 0 KKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000028711927 561952627 /nfs/dbraw/zinc/95/26/27/561952627.db2.gz MNVDKXPJRHTVKG-OAQYLSRUSA-N 1 0 540.029 7.357 1 0 KKAFRO CN1CCC([NH+]2CCC(CCNC(=O)c3nn(-c4ccccc4)c(NC(=O)c4ccccc4Cl)c3Br)CC2)CC1 ZINC000028712007 561952726 /nfs/dbraw/zinc/95/27/26/561952726.db2.gz LUSJHGGKKRUSDD-UHFFFAOYSA-N 1 0 628.015 5.467 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)n(C)n1 ZINC000028712501 561953012 /nfs/dbraw/zinc/95/30/12/561953012.db2.gz SGLJPXQOJMBPBR-UHFFFAOYSA-N 1 0 540.659 5.793 1 0 KKAFRO C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CC[NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000028713484 561954053 /nfs/dbraw/zinc/95/40/53/561954053.db2.gz HKPLAUMYFHPXIC-NRIIOKSUSA-N 1 0 731.938 6.223 1 0 KKAFRO O=C(CCCC1CCCCC1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714038 561954450 /nfs/dbraw/zinc/95/44/50/561954450.db2.gz LTHJCBUGWYKFRA-UHFFFAOYSA-N 1 0 514.158 5.565 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@@](CCC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764601 561959114 /nfs/dbraw/zinc/95/91/14/561959114.db2.gz ODPRNYGWGVRXIG-MGBGTMOVSA-N 1 0 591.583 6.928 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028769054 561960589 /nfs/dbraw/zinc/96/05/89/561960589.db2.gz OGKLLMOSPWTKLM-MHIGEHEBSA-N 1 0 668.835 6.077 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cc1 ZINC000028772258 561961672 /nfs/dbraw/zinc/96/16/72/561961672.db2.gz GQZNHBAQKXQYIV-SJHOIFEDSA-N 1 0 571.714 6.514 1 0 KKAFRO c1ccc(C(c2ccccc2)[NH+]2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816175 561963947 /nfs/dbraw/zinc/96/39/47/561963947.db2.gz FMGHYAOOIORXPJ-XRSDMRJBSA-N 1 0 610.798 8.391 1 0 KKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816250 561964081 /nfs/dbraw/zinc/96/40/81/561964081.db2.gz ONCHPBKAGOWLIQ-NSOVKSMOSA-N 1 0 527.492 6.538 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816517 561964193 /nfs/dbraw/zinc/96/41/93/561964193.db2.gz SECUIVXEQRIXKP-FESMNKHTSA-N 1 0 564.123 5.316 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816498 561964206 /nfs/dbraw/zinc/96/42/06/561964206.db2.gz YQXKNZRDPZBYEE-IAPPQJPRSA-N 1 0 560.160 5.711 1 0 KKAFRO CC(=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816610 561964397 /nfs/dbraw/zinc/96/43/97/561964397.db2.gz AGAUQIKGMPLDGM-ZZHRHVABSA-N 1 0 534.813 8.185 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028821088 561966183 /nfs/dbraw/zinc/96/61/83/561966183.db2.gz LUOIVKZEIDFCGZ-FSEITFBQSA-N 1 0 705.856 5.053 1 0 KKAFRO CC[NH+](CC)C/C=C/c1cnc(N)c2c(-c3ccc(NC(=O)c4cc5ccccc5n4C)c(OC)c3)csc21 ZINC000028822585 561967291 /nfs/dbraw/zinc/96/72/91/561967291.db2.gz HFNVVIKLQRUGQK-PKNBQFBNSA-N 1 0 539.705 6.653 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)Cc2ccccc2C(F)(F)F)CC3)c1 ZINC000028823031 561967687 /nfs/dbraw/zinc/96/76/87/561967687.db2.gz BZCXIZMEVHKXDT-XMMPIXPASA-N 1 0 574.691 6.776 1 0 KKAFRO COc1ccccc1CC(=O)N1CCc2[nH]c(-c3cc(C)cc(C)c3)c([C@H](C)C[NH2+]CCc3ccncc3)c2C1 ZINC000028823028 561967718 /nfs/dbraw/zinc/96/77/18/561967718.db2.gz YQGOJCRMFSLKNW-RUZDIDTESA-N 1 0 536.720 5.765 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Br)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823418 561968089 /nfs/dbraw/zinc/96/80/89/561968089.db2.gz XFORQXBHYSVKGZ-UHFFFAOYSA-N 1 0 596.658 7.953 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824063 561968842 /nfs/dbraw/zinc/96/88/42/561968842.db2.gz AOLMHZJVJOCHOG-VJGNERBWSA-N 1 0 623.160 6.704 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824107 561969059 /nfs/dbraw/zinc/96/90/59/561969059.db2.gz JFVNJIUMLZYPGC-GSLIJJQTSA-N 1 0 543.127 5.072 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824385 561969540 /nfs/dbraw/zinc/96/95/40/561969540.db2.gz ITKWRYRBGWDEBC-QHCPKHFHSA-N 1 0 636.737 5.481 1 0 KKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825191 561970470 /nfs/dbraw/zinc/97/04/70/561970470.db2.gz FHBFYBOSRIQZHG-PMERELPUSA-N 1 0 618.888 6.470 1 0 KKAFRO COC(=O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824801 561969990 /nfs/dbraw/zinc/96/99/90/561969990.db2.gz WPVHSRPUAPKWSP-UQXBXQHDSA-N 1 0 539.598 5.258 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825212 561970522 /nfs/dbraw/zinc/97/05/22/561970522.db2.gz QOPWWVFDWSBQHN-LBNVMWSVSA-N 1 0 588.818 5.442 1 0 KKAFRO COC(=O)c1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825985 561971088 /nfs/dbraw/zinc/97/10/88/561971088.db2.gz QRZCPURBJCFYFS-UHFFFAOYSA-N 1 0 543.752 6.772 1 0 KKAFRO COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000028825979 561971090 /nfs/dbraw/zinc/97/10/90/561971090.db2.gz PASWAGSVYIKPCT-UHFFFAOYSA-N 1 0 545.768 7.003 1 0 KKAFRO Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825998 561971098 /nfs/dbraw/zinc/97/10/98/561971098.db2.gz RNVQXYVZSGHPHD-UHFFFAOYSA-N 1 0 605.867 8.591 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028827222 561971587 /nfs/dbraw/zinc/97/15/87/561971587.db2.gz HFCBNESMBVZUHP-URLMMPGGSA-N 1 0 622.178 6.522 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000028867155 561973537 /nfs/dbraw/zinc/97/35/37/561973537.db2.gz NIDQERYOGAPSJL-MNNSJKJDSA-N 1 0 545.143 5.080 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869444 561973747 /nfs/dbraw/zinc/97/37/47/561973747.db2.gz QRCYVFNZAQIPPM-AREMUKBSSA-N 1 0 514.522 5.642 1 0 KKAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCC[NH2+]3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028871047 561974207 /nfs/dbraw/zinc/97/42/07/561974207.db2.gz CIWCIWKIJLDSKT-SLGZMBILSA-N 1 0 562.762 5.278 1 0 KKAFRO COc1ccc(-c2ccc(CN(CCC3CC[NH+](Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)COC(C)=O)cc2)cc1 ZINC000028874308 561975093 /nfs/dbraw/zinc/97/50/93/561975093.db2.gz KWGDXCJEWFIBAA-UHFFFAOYSA-N 1 0 585.789 6.826 1 0 KKAFRO COc1ccccc1-c1ccc(CN(CCC2CC[NH+](Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)CO)cc1 ZINC000028874510 561975184 /nfs/dbraw/zinc/97/51/84/561975184.db2.gz PYGAQULUJJCELW-UHFFFAOYSA-N 1 0 543.752 6.255 1 0 KKAFRO COc1ccc(-c2ccc(CN(CCC3CC[NH+](Cc4ccc(C)cc4)CC3)C(=O)NC(C)(C)CO)cc2)cc1 ZINC000028874499 561975186 /nfs/dbraw/zinc/97/51/86/561975186.db2.gz VGTFCUTUMKYSJV-UHFFFAOYSA-N 1 0 543.752 6.255 1 0 KKAFRO CCCCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874914 561975436 /nfs/dbraw/zinc/97/54/36/561975436.db2.gz RHXCECMKFJHNGV-GDLZYMKVSA-N 1 0 550.744 5.167 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879275 561976128 /nfs/dbraw/zinc/97/61/28/561976128.db2.gz ULTXWBYNFDFCHD-WDYNHAJCSA-N 1 0 604.188 6.383 1 0 KKAFRO c1ccc(CCNc2ncnc3oc(-c4ccc(OCC[NH+]5CCCC5)cc4)c(-c4ccccc4)c32)cc1 ZINC000028879358 561976269 /nfs/dbraw/zinc/97/62/69/561976269.db2.gz CYXPHNZJEDAZDD-UHFFFAOYSA-N 1 0 504.634 6.686 1 0 in-vitro KKAFRO O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879335 561976273 /nfs/dbraw/zinc/97/62/73/561976273.db2.gz OQRTUCNCZGBLPM-URLMMPGGSA-N 1 0 622.178 6.522 1 0 KKAFRO CC[C@@H](C)C[C@@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887390 561977806 /nfs/dbraw/zinc/97/78/06/561977806.db2.gz LOUSLMDIWLUSPD-OOWIMERYSA-N 1 0 623.669 8.811 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 ZINC000028887445 561977955 /nfs/dbraw/zinc/97/79/55/561977955.db2.gz SNNIDLBXYBQFDU-XMMPIXPASA-N 1 0 531.144 7.295 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cc(OCCCC[NH+]3CCCCC3)ccc2[nH]c1-c1ccccc1 ZINC000028892266 561978276 /nfs/dbraw/zinc/97/82/76/561978276.db2.gz VFLIQNMALJTWPU-AREMUKBSSA-N 1 0 553.747 6.865 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCCC[NH+]3CCCCC3)cc2[nH]c1-c1ccccc1 ZINC000028892276 561978315 /nfs/dbraw/zinc/97/83/15/561978315.db2.gz XOFSATVVFHWQNG-RUZDIDTESA-N 1 0 539.720 6.475 1 0 KKAFRO CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895423 561978874 /nfs/dbraw/zinc/97/88/74/561978874.db2.gz XNOFLDGSSUCALL-LJAQVGFWSA-N 1 0 554.156 5.202 1 0 KKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)cc3)nc2c1 ZINC000028960923 561984149 /nfs/dbraw/zinc/98/41/49/561984149.db2.gz UYXMRKMZCVFDHO-UHFFFAOYSA-N 1 0 523.464 6.317 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(C(=O)N3CCC[C@H](O)C3)CC2)c1 ZINC000028961687 561984402 /nfs/dbraw/zinc/98/44/02/561984402.db2.gz PTNVYXQJHUWHKM-PPUMFKDSSA-N 1 0 630.899 6.182 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(C(=O)N3CCC[C@@H](O)C3)CC2)c1 ZINC000028961683 561984446 /nfs/dbraw/zinc/98/44/46/561984446.db2.gz PTNVYXQJHUWHKM-BVDFDZHASA-N 1 0 630.899 6.182 1 0 KKAFRO O=C(NCCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967495 561985235 /nfs/dbraw/zinc/98/52/35/561985235.db2.gz NCUSUDWRZAUCEC-UHFFFAOYSA-N 1 0 500.668 5.878 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]CCc3ccccn3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976376 561986837 /nfs/dbraw/zinc/98/68/37/561986837.db2.gz ZSHGBUGJEFDKCS-LJAQVGFWSA-N 1 0 535.673 5.321 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@H](C(=O)NCc3ccccc3)N3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000028976422 561986874 /nfs/dbraw/zinc/98/68/74/561986874.db2.gz QVYBBNKTNFSOSC-UUWRZZSWSA-N 1 0 603.792 5.954 1 0 KKAFRO C[NH2+]CC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039288 561989653 /nfs/dbraw/zinc/98/96/53/561989653.db2.gz JMBVWYXHFDLVMV-ZNZIZOMTSA-N 1 0 611.174 5.577 1 0 KKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 ZINC000029040897 561990749 /nfs/dbraw/zinc/99/07/49/561990749.db2.gz HGTYPLBMQNPFRJ-UHFFFAOYSA-N 1 0 540.495 5.319 1 0 KKAFRO CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cc(Cl)ncn3)CC2)C1 ZINC000029041152 561991074 /nfs/dbraw/zinc/99/10/74/561991074.db2.gz KUUYARHPFYBLLJ-CJFMBICVSA-N 1 0 593.012 5.973 1 0 KKAFRO O=C(CN(CC1CC1)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000029042598 561991659 /nfs/dbraw/zinc/99/16/59/561991659.db2.gz HZPVFTXDENGXIK-SQHAQQRYSA-N 1 0 500.514 6.080 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000029046099 561992739 /nfs/dbraw/zinc/99/27/39/561992739.db2.gz GQLKTRKRMSMQCE-GKRYNVPLSA-N 1 0 560.129 6.426 1 0 KKAFRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046402 561992824 /nfs/dbraw/zinc/99/28/24/561992824.db2.gz FHKUWBFPCLSVBF-UUWRZZSWSA-N 1 0 612.681 5.679 1 0 KKAFRO c1c(-c2ccccc2)n[nH]c1C1CC[NH+](Cc2ccc(-c3nc4ncccc4cc3-c3ccccc3)cc2)CC1 ZINC000029049101 561993801 /nfs/dbraw/zinc/99/38/01/561993801.db2.gz PTXPTLPZSUXRMX-UHFFFAOYSA-N 1 0 521.668 7.734 1 0 KKAFRO c1c(-c2cccnc2)n[nH]c1C1CC[NH+](Cc2ccc(-c3nc4ncccc4cc3-c3ccccc3)cc2)CC1 ZINC000029049254 561993989 /nfs/dbraw/zinc/99/39/89/561993989.db2.gz IWSLAUNTMQRBKP-UHFFFAOYSA-N 1 0 522.656 7.129 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]cn4)c3=O)CC2)C(C)C)c1 ZINC000029063884 561996277 /nfs/dbraw/zinc/99/62/77/561996277.db2.gz GTBORSPXGZQYLC-NDEPHWFRSA-N 1 0 517.674 5.022 1 0 KKAFRO CC(C)([NH3+])C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125403 561997430 /nfs/dbraw/zinc/99/74/30/561997430.db2.gz HMWOQAVOVSHPHU-UHFFFAOYSA-N 1 0 544.866 5.850 1 0 KKAFRO C[C@@H]([NH3+])C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125347 561997461 /nfs/dbraw/zinc/99/74/61/561997461.db2.gz ASQPNMCVHWLECS-OAHLLOKOSA-N 1 0 530.839 5.460 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125758 561997940 /nfs/dbraw/zinc/99/79/40/561997940.db2.gz IOTHDTICZAKUMW-UHFFFAOYSA-N 1 0 570.726 6.681 1 0 KKAFRO CCc1nc2cc3c(cc2s1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126802 561998900 /nfs/dbraw/zinc/99/89/00/561998900.db2.gz LJDQESSYTJNKOI-UHFFFAOYSA-N 1 0 528.751 6.094 1 0 KKAFRO CCc1nc2cc3c(c(C)c2o1)CC[N@@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126989 561999142 /nfs/dbraw/zinc/99/91/42/561999142.db2.gz VNUWHBRXYDCOFA-HXUWFJFHSA-N 1 0 540.737 6.322 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4nc5ccc(C(F)(F)F)cn5c4CC3)n2C)n1 ZINC000029127255 561999682 /nfs/dbraw/zinc/99/96/82/561999682.db2.gz KCLMHEWINSXASY-UHFFFAOYSA-N 1 0 551.642 5.588 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCC[NH+]3CCCCC3)C2)cc1 ZINC000029127805 562000243 /nfs/dbraw/zinc/00/02/43/562000243.db2.gz PVLDWGPAFHHLQK-UUWRZZSWSA-N 1 0 606.808 5.832 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)cc3oc2=O)cc1 ZINC000029131498 562003208 /nfs/dbraw/zinc/00/32/08/562003208.db2.gz ILLXXNMTJSHHII-GZTJUZNOSA-N 1 0 627.568 7.997 1 0 KKAFRO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CC(C)(C)C ZINC000029135629 562004447 /nfs/dbraw/zinc/00/44/47/562004447.db2.gz XTXHGMBUVKGTLW-UHFFFAOYSA-N 1 0 560.060 8.038 1 0 KKAFRO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CC(C)C ZINC000029135631 562004549 /nfs/dbraw/zinc/00/45/49/562004549.db2.gz JXKZNEWAURNXKD-UHFFFAOYSA-N 1 0 546.033 7.648 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[NH+]3CCC4(CC3)NCCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029332439 562013988 /nfs/dbraw/zinc/01/39/88/562013988.db2.gz JCESZKTUENPOBS-BHVANESWSA-N 1 0 634.692 7.411 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 ZINC000029311014 562012070 /nfs/dbraw/zinc/01/20/70/562012070.db2.gz NETATFMPBITUKO-PMERELPUSA-N 1 0 588.661 5.121 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1=O)NCc1cccc2ccccc21 ZINC000029389498 562017008 /nfs/dbraw/zinc/01/70/08/562017008.db2.gz VRYSVJFDHQPREE-KAODMTDESA-N 1 0 653.676 6.273 1 0 KKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029391341 562017444 /nfs/dbraw/zinc/01/74/44/562017444.db2.gz QPXROMJDFPQBAT-IZZNHLLZSA-N 1 0 571.565 7.278 1 0 KKAFRO CCOC(=O)C1=C(COCC[N@H+](C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029405649 562020537 /nfs/dbraw/zinc/02/05/37/562020537.db2.gz ZZNMZUHUNNQAKO-HEBMYIDGSA-N 1 0 513.034 5.280 1 0 KKAFRO COc1cc(C(=O)N2CCOC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029400140 562019649 /nfs/dbraw/zinc/01/96/49/562019649.db2.gz RWSBBXFLRGQFQP-PWOKGZDBSA-N 1 0 673.659 6.031 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(-c2ccccc2)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000029401875 562019830 /nfs/dbraw/zinc/01/98/30/562019830.db2.gz NIRJRFMFYPGFAN-UHFFFAOYSA-N 1 0 533.693 8.037 1 0 KKAFRO Clc1ccc2c(c1)nccc2NCC[NH+](CCNc1ccnc2cc(Cl)ccc21)Cc1ccnc2ccccc12 ZINC000029402297 562019914 /nfs/dbraw/zinc/01/99/14/562019914.db2.gz CEEYGGCIQNKBLA-UHFFFAOYSA-N 1 0 567.524 7.664 1 0 KKAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@H]2[C@H]3[C@@H](CCCCC(N)=[NH2+])C(=O)N2C(=O)OCCCc2ccccc2)c1 ZINC000029402602 562019981 /nfs/dbraw/zinc/01/99/81/562019981.db2.gz OJRKQKMPNJUKML-HWIYEDSRSA-N 1 0 608.783 6.568 1 0 KKAFRO O=C(CCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029403547 562020186 /nfs/dbraw/zinc/02/01/86/562020186.db2.gz NQWIYFYXGPVRGH-UHFFFAOYSA-N 1 0 619.641 6.901 1 0 KKAFRO COc1ccc(-c2sc3c(cc(OC)c(OC)c3OC)c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000029403776 562020239 /nfs/dbraw/zinc/02/02/39/562020239.db2.gz GTCNWCUEUWBDKF-UHFFFAOYSA-N 1 0 561.700 6.698 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(CC(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029413972 562022368 /nfs/dbraw/zinc/02/23/68/562022368.db2.gz YNQVAUVRVQAGPS-QFIPXVFZSA-N 1 0 546.071 5.760 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(CC(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029413975 562022372 /nfs/dbraw/zinc/02/23/72/562022372.db2.gz YNQVAUVRVQAGPS-JOCHJYFZSA-N 1 0 546.071 5.760 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000029414260 562022552 /nfs/dbraw/zinc/02/25/52/562022552.db2.gz XPFBGOKNFYTNRX-UHFFFAOYSA-N 1 0 567.818 8.067 1 0 KKAFRO CCN(CC)C(=O)Cc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417244 562023169 /nfs/dbraw/zinc/02/31/69/562023169.db2.gz LXGZLTJGKXGDER-UHFFFAOYSA-N 1 0 602.845 6.389 1 0 KKAFRO O=C(NC1CCCCC1)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000029480628 562027262 /nfs/dbraw/zinc/02/72/62/562027262.db2.gz WFRXSXBRCKAFNI-UHFFFAOYSA-N 1 0 555.738 6.601 1 0 KKAFRO O=C1NCN(c2cccc(C(F)(F)F)c2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029480753 562027272 /nfs/dbraw/zinc/02/72/72/562027272.db2.gz IXZUHVMWFUDEHG-UHFFFAOYSA-N 1 0 544.568 5.940 1 0 KKAFRO CCCN1c2ccccc2C(CCc2ccccc2)=N[C@H](NC(=O)Nc2ccc(N3CCN(c4cc[nH+]cc4)CC3)cc2)C1=O ZINC000029481026 562027342 /nfs/dbraw/zinc/02/73/42/562027342.db2.gz VLIFIGMDNURHMV-UUWRZZSWSA-N 1 0 601.755 5.735 1 0 KKAFRO O=C1N(CC2CC2)CN(c2ccccc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029482782 562027619 /nfs/dbraw/zinc/02/76/19/562027619.db2.gz DMJZDEHTOOYGRV-UHFFFAOYSA-N 1 0 530.663 6.044 1 0 KKAFRO CN(C)C(=O)C(CC[NH+]1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029560350 562032977 /nfs/dbraw/zinc/03/29/77/562032977.db2.gz PRUWCIGDTUAEBU-UHFFFAOYSA-N 1 0 572.757 5.821 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCCCCc1ccccc1)(C(=O)OCCCCCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029560992 562033180 /nfs/dbraw/zinc/03/31/80/562033180.db2.gz HMIQWPMBJVCXPG-XLNFBEDTSA-N 1 0 714.299 7.974 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029550173 562030818 /nfs/dbraw/zinc/03/08/18/562030818.db2.gz JXHBQZRXZKSNND-LJAQVGFWSA-N 1 0 550.677 5.404 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551366 562031010 /nfs/dbraw/zinc/03/10/10/562031010.db2.gz CLUUKANTNNYMBZ-WJOKGBTCSA-N 1 0 580.747 5.864 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC1(C)CCCCC1)(C(=O)OCC1(C)CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029559291 562032816 /nfs/dbraw/zinc/03/28/16/562032816.db2.gz IHCBHCYLHOVQST-IRPSRAIASA-N 1 0 642.233 7.089 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCOc1cccc(Cl)c1)(C(=O)OCCOc1cccc(Cl)c1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561463 562033324 /nfs/dbraw/zinc/03/33/24/562033324.db2.gz VOQKQYMSHAPTMR-IPBJYNAHSA-N 1 0 731.025 6.613 1 0 KKAFRO Cc1oc2c(c1C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029564684 562034070 /nfs/dbraw/zinc/03/40/70/562034070.db2.gz CTXRFUVSISAOKT-FNJJVTQMSA-N 1 0 596.749 7.613 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 ZINC000029566537 562034574 /nfs/dbraw/zinc/03/45/74/562034574.db2.gz VAECPRPRNRFWCH-PMERELPUSA-N 1 0 588.730 5.602 1 0 KKAFRO Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000029571849 562035857 /nfs/dbraw/zinc/03/58/57/562035857.db2.gz IFESUQBEIVOUSO-UHFFFAOYSA-N 1 0 560.746 6.453 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000034038686 562038071 /nfs/dbraw/zinc/03/80/71/562038071.db2.gz RCZXTMTXMHGQDY-HUUCEWRRSA-N 1 0 501.077 5.399 1 0 KKAFRO COc1cc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1C(C)=O ZINC000034289883 562038728 /nfs/dbraw/zinc/03/87/28/562038728.db2.gz ZEBXFCFWCGBFOZ-UHFFFAOYSA-N 1 0 509.593 5.593 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000034643981 562039610 /nfs/dbraw/zinc/03/96/10/562039610.db2.gz DHFUVVTYPXJZAP-UHFFFAOYSA-N 1 0 503.637 5.181 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc5onc(N)c54)c3C2=O)cc1 ZINC000034689252 562039788 /nfs/dbraw/zinc/03/97/88/562039788.db2.gz OPXMPWFOOWIJTD-UHFFFAOYSA-N 1 0 546.553 5.546 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801018 562041102 /nfs/dbraw/zinc/04/11/02/562041102.db2.gz DXWCMCSDQPQJSF-UHFFFAOYSA-N 1 0 538.736 6.543 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccncc3)nc2)cc1 ZINC000034802936 562042237 /nfs/dbraw/zinc/04/22/37/562042237.db2.gz UVSDOXGGZOMWGL-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccccn3)cc2)cc1 ZINC000034802831 562042239 /nfs/dbraw/zinc/04/22/39/562042239.db2.gz ZPFPLOXODDMUQP-UHFFFAOYSA-N 1 0 513.770 8.026 1 0 KKAFRO CC(C)(Cc1cccs1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803781 562042545 /nfs/dbraw/zinc/04/25/45/562042545.db2.gz PJEGMEPDODYQEE-JHOBJCJYSA-N 1 0 536.701 6.545 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034803975 562042856 /nfs/dbraw/zinc/04/28/56/562042856.db2.gz FAPNFKWYERZNCS-SANMLTNESA-N 1 0 608.526 5.050 1 0 KKAFRO Cc1cc(Cl)ccc1OC1CC[NH+](CC2CC[NH+]([C@@](C)(Cc3ccc(F)cc3)C(=O)[O-])CC2)CC1 ZINC000034884564 562043920 /nfs/dbraw/zinc/04/39/20/562043920.db2.gz AQVKRBFXFFKXJV-NDEPHWFRSA-N 1 0 503.058 5.429 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000036107630 562047221 /nfs/dbraw/zinc/04/72/21/562047221.db2.gz FMTGTQYIPPNOGJ-NTSPJBIXSA-N 1 0 531.656 5.790 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000036140633 562048014 /nfs/dbraw/zinc/04/80/14/562048014.db2.gz DZTHNMBIWFXTLC-IPQUOWEQSA-N 1 0 523.677 5.862 1 0 KKAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCC(C)(C)CC5)C4)C3)s2)cc1 ZINC000036151829 562048284 /nfs/dbraw/zinc/04/82/84/562048284.db2.gz CDCAONXIZIKXEJ-RPWUZVMVSA-N 1 0 538.758 5.323 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160532 562048516 /nfs/dbraw/zinc/04/85/16/562048516.db2.gz VTGXHIKOJDKECN-CQTOTRCISA-N 1 0 610.843 7.833 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000036161376 562048625 /nfs/dbraw/zinc/04/86/25/562048625.db2.gz TWKZXOHLLXNUHW-JYFHCDHNSA-N 1 0 615.709 6.356 1 0 KKAFRO O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH2+]CC3CC3)ccc21 ZINC000036161387 562048712 /nfs/dbraw/zinc/04/87/12/562048712.db2.gz UMBRXAIHPVVMQI-RPLLCQBOSA-N 1 0 563.686 5.332 1 0 KKAFRO O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000036161718 562048947 /nfs/dbraw/zinc/04/89/47/562048947.db2.gz IQPWKAIEQBOLPJ-ACHIHNKUSA-N 1 0 583.754 5.875 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000036175752 562048974 /nfs/dbraw/zinc/04/89/74/562048974.db2.gz VFRCPJQHJURJOL-JOCHJYFZSA-N 1 0 543.527 6.270 1 0 KKAFRO CC(C)[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1 ZINC000035822160 562045333 /nfs/dbraw/zinc/04/53/33/562045333.db2.gz ORQPOUPGRVZEJP-UHFFFAOYSA-N 1 0 524.587 7.123 1 0 KKAFRO CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803246 562045391 /nfs/dbraw/zinc/04/53/91/562045391.db2.gz ZSCCDIZJMUBHJP-DEOSSOPVSA-N 1 0 532.651 5.205 1 0 KKAFRO C[NH2+]C[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1 ZINC000035851368 562045542 /nfs/dbraw/zinc/04/55/42/562045542.db2.gz PFPRGZBLXHYXIU-WQQNLHNWSA-N 1 0 525.734 5.539 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1 ZINC000035881451 562045609 /nfs/dbraw/zinc/04/56/09/562045609.db2.gz LPWQZFWAYVPRSO-UHFFFAOYSA-N 1 0 516.089 6.378 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000035937447 562045758 /nfs/dbraw/zinc/04/57/58/562045758.db2.gz HEGZJKJQJWLLRF-JFAKYYBVSA-N 1 0 527.496 5.362 1 0 KKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCC[N@H+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000035986052 562046007 /nfs/dbraw/zinc/04/60/07/562046007.db2.gz PURFDWJJUPRHOS-MHZLTWQESA-N 1 0 521.545 7.865 1 0 KKAFRO CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@H](C3CC4(CC4)C3)[NH2+]C[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080057 562046160 /nfs/dbraw/zinc/04/61/60/562046160.db2.gz RUCJIIMIRGBHTE-RCZVLFRGSA-N 1 0 578.157 5.944 1 0 KKAFRO COc1ccccc1Oc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1 ZINC000036241939 562052102 /nfs/dbraw/zinc/05/21/02/562052102.db2.gz WZFSTZPVDMXXKL-UHFFFAOYSA-N 1 0 522.653 6.362 1 0 KKAFRO O=C(Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1)c1ccco1 ZINC000036241946 562052104 /nfs/dbraw/zinc/05/21/04/562052104.db2.gz USCJBUZPUNRXEU-UHFFFAOYSA-N 1 0 509.614 5.406 1 0 KKAFRO CC[NH+](CC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036285005 562053640 /nfs/dbraw/zinc/05/36/40/562053640.db2.gz OCUATQXDWXBVSN-SIABPNFTSA-N 1 0 608.271 5.229 1 0 KKAFRO [NH3+]CCC(=O)N[C@@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285439 562054069 /nfs/dbraw/zinc/05/40/69/562054069.db2.gz IHWUGEAQQMPWCB-NDEPHWFRSA-N 1 0 601.550 5.137 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285485 562054197 /nfs/dbraw/zinc/05/41/97/562054197.db2.gz BRQIREOLULHPMR-UVDDSOTQSA-N 1 0 606.560 8.171 1 0 KKAFRO [NH3+][C@@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285567 562054238 /nfs/dbraw/zinc/05/42/38/562054238.db2.gz CUIHSBFDWJIEDC-SANMLTNESA-N 1 0 530.471 5.631 1 0 KKAFRO CCCC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285587 562054276 /nfs/dbraw/zinc/05/42/76/562054276.db2.gz ADRDTTJUTJRJPA-JOCHJYFZSA-N 1 0 516.435 6.484 1 0 KKAFRO CC[C@@H](C)C[NH2+][C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)[C@@H](C)CC ZINC000036285621 562054322 /nfs/dbraw/zinc/05/43/22/562054322.db2.gz AUHYYKPUZBCSPT-CGQTXMLISA-N 1 0 586.570 8.017 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285657 562054373 /nfs/dbraw/zinc/05/43/73/562054373.db2.gz MDILXNNIHAYREB-NRFANRHFSA-N 1 0 502.408 5.949 1 0 KKAFRO CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C[NH3+])cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331663 562056838 /nfs/dbraw/zinc/05/68/38/562056838.db2.gz VNNMDAONTZQHMG-UHFFFAOYSA-N 1 0 628.745 6.424 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1cccc(Cl)c1 ZINC000036338822 562057278 /nfs/dbraw/zinc/05/72/78/562057278.db2.gz MSHIDVJWNMVTDI-UHFFFAOYSA-N 1 0 547.128 5.774 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000036338827 562057299 /nfs/dbraw/zinc/05/72/99/562057299.db2.gz QWGVEQIQNCTOIQ-UHFFFAOYSA-N 1 0 547.128 5.774 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349200 562057852 /nfs/dbraw/zinc/05/78/52/562057852.db2.gz BZNFETDRGVQWBQ-SSEXGKCCSA-N 1 0 559.718 5.406 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349204 562057880 /nfs/dbraw/zinc/05/78/80/562057880.db2.gz REABAAMVKCLEJA-GDLZYMKVSA-N 1 0 545.691 5.212 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000036351482 562058371 /nfs/dbraw/zinc/05/83/71/562058371.db2.gz NEDFFGGGMNIQHU-WDYNHAJCSA-N 1 0 629.123 6.377 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351694 562058996 /nfs/dbraw/zinc/05/89/96/562058996.db2.gz IQRZFJPBPXAVEQ-KYJUHHDHSA-N 1 0 545.127 5.570 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(Cl)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351775 562059195 /nfs/dbraw/zinc/05/91/95/562059195.db2.gz PAOVRRFSIQMDKP-XIFFEERXSA-N 1 0 597.030 8.506 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc(OC)cc1 ZINC000036378319 562059645 /nfs/dbraw/zinc/05/96/45/562059645.db2.gz MJJIHQACZGUMQB-NVQXNPDNSA-N 1 0 521.698 6.805 3 0 KKAFRO COc1ccc(OC[C@@H]2Cc3c(c4c(nc3-c3ccccc3)CC[N@H+](CCOc3ccccc3)C4)CO2)cc1 ZINC000036384598 562060106 /nfs/dbraw/zinc/06/01/06/562060106.db2.gz RFICEULJUUXYDG-NDEPHWFRSA-N 1 0 522.645 5.715 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000036436376 562060703 /nfs/dbraw/zinc/06/07/03/562060703.db2.gz DRKUAUJUSZGTGW-XJFCNFDWSA-N 1 0 511.739 6.392 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)NCC[NH+](C)C)C(C)C ZINC000036774665 562061617 /nfs/dbraw/zinc/06/16/17/562061617.db2.gz AYLQFSBXZTZHLQ-JUXBJYJVSA-N 1 0 711.956 5.016 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147763 562065560 /nfs/dbraw/zinc/06/55/60/562065560.db2.gz YEFGMGCEOZCNNZ-POBAWSAGSA-N 1 0 510.722 6.230 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4cccs4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147756 562065587 /nfs/dbraw/zinc/06/55/87/562065587.db2.gz GTBXJHSFIAGKDW-PDRGBRDOSA-N 1 0 542.789 6.825 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCC([NH+]4CCCC4)CC3)ccc2c1 ZINC000038149733 562066145 /nfs/dbraw/zinc/06/61/45/562066145.db2.gz XVPLTHLIILJYMD-UHFFFAOYSA-N 1 0 556.135 6.376 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCN(c4ccccc4)CC3)ccc2c1 ZINC000038149725 562066240 /nfs/dbraw/zinc/06/62/40/562066240.db2.gz CSIWZRJTSWJCKM-UHFFFAOYSA-N 1 0 564.114 6.638 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152418 562067262 /nfs/dbraw/zinc/06/72/62/562067262.db2.gz HBMQRAUFUVCBQD-INJYMACJSA-N 1 0 575.775 5.388 1 0 KKAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156577 562068403 /nfs/dbraw/zinc/06/84/03/562068403.db2.gz CVFWQCMVAKICGX-UHFFFAOYSA-N 1 0 584.585 5.482 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156576 562068457 /nfs/dbraw/zinc/06/84/57/562068457.db2.gz CWCAJAZCCFEQBH-UHFFFAOYSA-N 1 0 566.570 6.371 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157515 562069314 /nfs/dbraw/zinc/06/93/14/562069314.db2.gz VLRKCLYSNVDLNZ-LGGPFLRQSA-N 1 0 572.768 5.052 1 0 KKAFRO CS(=O)(=O)c1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157851 562069560 /nfs/dbraw/zinc/06/95/60/562069560.db2.gz XEGVCTLTXFUGRJ-UHFFFAOYSA-N 1 0 583.651 7.099 1 0 KKAFRO C[NH+]1CCN(CCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377663 562071639 /nfs/dbraw/zinc/07/16/39/562071639.db2.gz SZOYOLFYNBXVHW-NDEPHWFRSA-N 1 0 692.429 5.548 1 0 KKAFRO Cc1cc(OCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n[nH]1 ZINC000040402948 562074762 /nfs/dbraw/zinc/07/47/62/562074762.db2.gz JLMNPTOCKBOBJT-UHFFFAOYSA-N 1 0 528.018 7.494 1 0 KKAFRO CSCN1C(=O)CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425006 562076413 /nfs/dbraw/zinc/07/64/13/562076413.db2.gz CZSCZZVPYIQJLF-RUZDIDTESA-N 1 0 501.490 5.069 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000040429928 562076781 /nfs/dbraw/zinc/07/67/81/562076781.db2.gz QOFTUMGVBJWMAB-GSLIJJQTSA-N 1 0 526.565 6.682 1 0 KKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000040505384 562077619 /nfs/dbraw/zinc/07/76/19/562077619.db2.gz NNNBJWOCCJDIEY-UHFFFAOYSA-N 1 0 513.628 7.049 1 0 KKAFRO CC(C)(C)C(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505664 562077659 /nfs/dbraw/zinc/07/76/59/562077659.db2.gz JPQSLPVHQYVMHW-UHFFFAOYSA-N 1 0 521.648 6.611 1 0 KKAFRO COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C(C)C)CC1 ZINC000040565490 562077875 /nfs/dbraw/zinc/07/78/75/562077875.db2.gz VBEOBBGCDHWKJI-JOCHJYFZSA-N 1 0 505.486 6.269 1 0 KKAFRO COc1cccc(NC(=O)N2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000040576964 562078394 /nfs/dbraw/zinc/07/83/94/562078394.db2.gz LSCLPSXVVJBKPL-PKNBQFBNSA-N 1 0 519.473 5.151 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2cccc(F)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878163 562082245 /nfs/dbraw/zinc/08/22/45/562082245.db2.gz NTMYREWWPOLSFO-SANMLTNESA-N 1 0 505.472 5.253 1 0 KKAFRO CN(CC[NH+]1CCCC1)c1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH]1 ZINC000040764445 562079548 /nfs/dbraw/zinc/07/95/48/562079548.db2.gz JTUYSPGSVTWGLQ-UHFFFAOYSA-N 1 0 505.047 5.176 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791357 562079859 /nfs/dbraw/zinc/07/98/59/562079859.db2.gz YTOSPVJBQKTTEV-JOCHJYFZSA-N 1 0 509.593 5.593 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc2ccccc2c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000040847280 562080444 /nfs/dbraw/zinc/08/04/44/562080444.db2.gz SQGRDSAJNUBRNE-WJOKGBTCSA-N 1 0 505.021 5.996 1 0 KKAFRO CC[N@H+](CCNC(=O)c1ccc(F)cc1NCc1ccccc1)CCNc1ccnc2cc(Cl)ccc21 ZINC000040862890 562080941 /nfs/dbraw/zinc/08/09/41/562080941.db2.gz JWOZUTXAMBCXAP-UHFFFAOYSA-N 1 0 520.052 5.803 1 0 KKAFRO CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000040863512 562081112 /nfs/dbraw/zinc/08/11/12/562081112.db2.gz AROUWIMOXIPEQX-VAVYLYDRSA-N 1 0 504.700 5.029 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Cc1cccc(Br)c1 ZINC000040900000 562083387 /nfs/dbraw/zinc/08/33/87/562083387.db2.gz VDPASZIGNMILMX-UHFFFAOYSA-N 1 0 523.475 5.608 1 0 KKAFRO CC(C)Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C(=[NH2+])N(C)C)cc1 ZINC000040913716 562083628 /nfs/dbraw/zinc/08/36/28/562083628.db2.gz BCYFDAXBALEALQ-UHFFFAOYSA-N 1 0 514.413 5.567 1 0 KKAFRO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000040939382 562085648 /nfs/dbraw/zinc/08/56/48/562085648.db2.gz DULILSLOYROQDS-UHFFFAOYSA-N 1 0 510.613 5.408 1 0 KKAFRO CC[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000040953722 562086379 /nfs/dbraw/zinc/08/63/79/562086379.db2.gz POOZBAOSQBKQOC-WGHVJBFBSA-N 1 0 522.174 5.714 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@@H]2C2CC2)C1 ZINC000040954205 562086441 /nfs/dbraw/zinc/08/64/41/562086441.db2.gz UREWEIQWMRXCFY-SVPADUAOSA-N 1 0 520.558 5.940 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCOC)c2cccc(Cl)c2Cl)C1 ZINC000040974636 562087034 /nfs/dbraw/zinc/08/70/34/562087034.db2.gz HDPWASSQXJRMEQ-TVZXLZGTSA-N 1 0 528.565 6.068 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4cn3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000042802678 562087801 /nfs/dbraw/zinc/08/78/01/562087801.db2.gz XUQJHQJCHONDRE-MGBGTMOVSA-N 1 0 608.787 5.824 1 0 KKAFRO CCc1sc(CCc2cc(N3CCOCC3)cc(N[C@H](C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000042797762 562087825 /nfs/dbraw/zinc/08/78/25/562087825.db2.gz AZGZXUZMWKHDDH-LJQANCHMSA-N 1 0 572.175 6.814 1 0 KKAFRO CC[C@H](C)[C@H]1C(=O)Nc2ccc(NCCC[NH+](C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 ZINC000042804195 562088651 /nfs/dbraw/zinc/08/86/51/562088651.db2.gz FNLDJFVOPARNLY-WRONEBCDSA-N 1 0 606.693 6.555 1 0 KKAFRO CNC(=[NH2+])Nc1cccc(CCCCC2CCC(O)(CC(=O)CCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000085596160 560063544 /nfs/dbraw/zinc/06/35/44/560063544.db2.gz BVICKSSOGUUCTO-UHFFFAOYSA-N 1 0 509.691 5.496 1 0 biogenic,in-vitro KKAFRO CC[C@H](C)C[C@H]1[C@]23C=CCC[C@]2(/C(=C/[C@@H]2CC[C@@H]4CC[C@@H]5C=CC=C[C@]54C2)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000085531937 560073107 /nfs/dbraw/zinc/07/31/07/560073107.db2.gz UQIAPLCCXACRSL-YDOUHTACSA-N 1 0 593.808 7.712 1 0 biogenic,in-vitro KKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C(C)(C)C)cc1OC(F)F ZINC000043066194 562645387 /nfs/dbraw/zinc/64/53/87/562645387.db2.gz JPWPZFYYVIFSAZ-OAHLLOKOSA-N 1 0 514.598 5.791 1 0 KKAFRO COc1ccc(C[NH+]2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)cc1 ZINC000043075284 562645648 /nfs/dbraw/zinc/64/56/48/562645648.db2.gz GHWZBMFDYTUAOH-OAQYLSRUSA-N 1 0 519.483 6.628 1 0 KKAFRO C[C@H]1CCC[N@@H+]1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079506 562645807 /nfs/dbraw/zinc/64/58/07/562645807.db2.gz VLJYRARAGISBAK-AWEZNQCLSA-N 1 0 516.299 5.109 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1c[nH]cn1)c1ccccc1 ZINC000043079428 562645817 /nfs/dbraw/zinc/64/58/17/562645817.db2.gz ZMTJXLBSJWMAHF-NDEPHWFRSA-N 1 0 521.587 5.727 1 0 KKAFRO Cn1cc(NC(=O)c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000043119922 562646047 /nfs/dbraw/zinc/64/60/47/562646047.db2.gz XEONIDMTFCFQEX-UHFFFAOYSA-N 1 0 534.660 5.391 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC000043122348 562646195 /nfs/dbraw/zinc/64/61/95/562646195.db2.gz LWYNHLQFGJBUEK-SANMLTNESA-N 1 0 530.635 5.102 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000043409102 562648240 /nfs/dbraw/zinc/64/82/40/562648240.db2.gz BTQCYONFXSTTLB-UHFFFAOYSA-N 1 0 542.503 6.622 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccoc4)c3Cl)c2n1 ZINC000043524282 562648983 /nfs/dbraw/zinc/64/89/83/562648983.db2.gz QKQSOIOSXUVBIS-UHFFFAOYSA-N 1 0 619.571 5.375 1 0 KKAFRO COc1cc(-n2cnc3cc(-c4cccc(I)c4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000043543819 562649463 /nfs/dbraw/zinc/64/94/63/562649463.db2.gz OIQBXTYXPJQSIQ-UHFFFAOYSA-N 1 0 573.456 5.202 1 0 KKAFRO COC(=O)CCCCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543926 562649522 /nfs/dbraw/zinc/64/95/22/562649522.db2.gz NPBLYVPUBWUSAO-KZMRVRTISA-N 1 0 529.806 7.236 1 0 KKAFRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000044031837 562651688 /nfs/dbraw/zinc/65/16/88/562651688.db2.gz RTJZMWSCHLSZOW-QCENPCRXSA-N 1 0 591.196 6.780 1 0 KKAFRO c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000044280505 562652882 /nfs/dbraw/zinc/65/28/82/562652882.db2.gz RYUMJRVPFLUECC-UHFFFAOYSA-N 1 0 607.766 6.909 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CCN3CC[NH2+]CC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000044281433 562653084 /nfs/dbraw/zinc/65/30/84/562653084.db2.gz WBUVFNUXSHXSBW-UHFFFAOYSA-N 1 0 554.779 5.897 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccc(F)cc1 ZINC000044281303 562653093 /nfs/dbraw/zinc/65/30/93/562653093.db2.gz YVLNUDNIGUMCIQ-UHFFFAOYSA-N 1 0 555.654 5.252 1 0 KKAFRO O=C(CCCc1ccccc1)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305085 562653354 /nfs/dbraw/zinc/65/33/54/562653354.db2.gz QQNVIMGZEUSMBJ-DIPNUNPCSA-N 1 0 611.777 7.808 1 0 KKAFRO COc1cc2c3c(c1[O-])Oc1cc4c(cc1O)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH2+]CC3 ZINC000044305474 562653450 /nfs/dbraw/zinc/65/34/50/562653450.db2.gz BRQSKXOKBNZMFR-SVBPBHIXSA-N 1 0 566.654 5.911 1 0 KKAFRO C[NH+](C)CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1 ZINC000044306157 562653674 /nfs/dbraw/zinc/65/36/74/562653674.db2.gz CRQMAEDPCQSZBK-UHFFFAOYSA-N 1 0 585.665 6.127 1 0 KKAFRO FC1(F)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C1 ZINC000044307954 562654152 /nfs/dbraw/zinc/65/41/52/562654152.db2.gz PXLDHSKDCUXBTE-UHFFFAOYSA-N 1 0 629.719 6.764 1 0 KKAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000044308018 562654168 /nfs/dbraw/zinc/65/41/68/562654168.db2.gz JAVIQCFYXIAUDS-OQBISYOISA-N 1 0 627.789 5.184 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044308069 562654218 /nfs/dbraw/zinc/65/42/18/562654218.db2.gz XFEYXKJPGONJJO-UHFFFAOYSA-N 1 0 623.729 5.543 1 0 KKAFRO CC[NH+]1CCN(CCCOc2cc3nccc(Oc4ccc(-c5cnc(Cc6ccccc6)n(C)c5=O)cc4F)c3cc2OC)CC1 ZINC000044351040 562654458 /nfs/dbraw/zinc/65/44/58/562654458.db2.gz BJLCYGZYAODRFD-UHFFFAOYSA-N 1 0 637.756 5.933 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCC[NH+]4CCCCC4)c(F)c3)nc21 ZINC000044351171 562654496 /nfs/dbraw/zinc/65/44/96/562654496.db2.gz YBYFISXTSWTCCW-UHFFFAOYSA-N 1 0 589.760 7.139 1 0 KKAFRO Cc1c(Cn2ncc(N3CC[NH2+]CC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000044351438 562654699 /nfs/dbraw/zinc/65/46/99/562654699.db2.gz YXEKTZFDSSZQIH-UHFFFAOYSA-N 1 0 565.077 5.131 1 0 KKAFRO COc1ccc(F)c(CCC[C@H]2CC[C@H](CC[NH2+]CCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351702 562654806 /nfs/dbraw/zinc/65/48/06/562654806.db2.gz ILYANWOXFYOOPX-XIMCBQERSA-N 1 0 635.821 6.701 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360953 562655657 /nfs/dbraw/zinc/65/56/57/562655657.db2.gz JLIFFPLWLAEVIL-PIKZIKFNSA-N 1 0 544.567 6.285 1 0 KKAFRO O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OC(=O)c3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000044417008 562657017 /nfs/dbraw/zinc/65/70/17/562657017.db2.gz QILFFGRYZJLTKE-WVHDXOAOSA-N 1 0 576.693 5.019 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)OCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044417820 562657175 /nfs/dbraw/zinc/65/71/75/562657175.db2.gz LOJAPTYUHKVYTA-UHFFFAOYSA-N 1 0 581.161 6.014 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417922 562657201 /nfs/dbraw/zinc/65/72/01/562657201.db2.gz SQNGVTMRTJBMIQ-KCTCJIHVSA-N 1 0 541.736 6.194 1 0 KKAFRO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167523 562658009 /nfs/dbraw/zinc/65/80/09/562658009.db2.gz KBBTZNWIQSYFEJ-IBGZPJMESA-N 1 0 521.587 5.738 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000045169177 562658191 /nfs/dbraw/zinc/65/81/91/562658191.db2.gz ILWGLFFYSWUBOQ-IGMDOQDBSA-N 1 0 529.468 5.052 1 0 KKAFRO CC(C)(C)c1ccc(C[N@@H+](C[C@@H](O)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1 ZINC000045191090 562658524 /nfs/dbraw/zinc/65/85/24/562658524.db2.gz RYVSTLSFXPTZIY-NRFANRHFSA-N 1 0 501.520 5.231 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)c1 ZINC000045191607 562658556 /nfs/dbraw/zinc/65/85/56/562658556.db2.gz DXJQOOMOBZQITE-UHFFFAOYSA-N 1 0 502.593 7.598 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)/C=C/c3ccccc3C)cc2)nc1 ZINC000045191854 562658568 /nfs/dbraw/zinc/65/85/68/562658568.db2.gz YEQGOTHICNYMDP-JQIJEIRASA-N 1 0 505.666 5.897 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045193116 562658708 /nfs/dbraw/zinc/65/87/08/562658708.db2.gz LTOAAJSTZFSEJH-UHFFFAOYSA-N 1 0 502.593 7.598 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000045192778 562658723 /nfs/dbraw/zinc/65/87/23/562658723.db2.gz GKGABHQKJGHRKS-UHFFFAOYSA-N 1 0 523.621 5.281 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000045194048 562658767 /nfs/dbraw/zinc/65/87/67/562658767.db2.gz LBVSWOGOLSDSKC-UHFFFAOYSA-N 1 0 523.621 5.281 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000045194421 562658799 /nfs/dbraw/zinc/65/87/99/562658799.db2.gz OPQUDPZSDQJZMW-XYOKQWHBSA-N 1 0 528.549 7.171 1 0 KKAFRO O=C(/C=C/c1c(Cl)cccc1Cl)NC1CCC(C[NH+]2CCC(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000045195610 562658898 /nfs/dbraw/zinc/65/88/98/562658898.db2.gz JTJIICDETKVSPO-OUKQBFOZSA-N 1 0 524.536 7.118 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045195992 562658919 /nfs/dbraw/zinc/65/89/19/562658919.db2.gz PCWKRRQPJJUYEB-UHFFFAOYSA-N 1 0 502.558 5.600 1 0 KKAFRO Cc1ccc(NC(=O)N2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045196417 562658958 /nfs/dbraw/zinc/65/89/58/562658958.db2.gz NHXGATUMJQDBET-DHZHZOJOSA-N 1 0 517.501 5.760 1 0 KKAFRO O=C(CCc1ccc(Cl)cc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202114 562659099 /nfs/dbraw/zinc/65/90/99/562659099.db2.gz GKEGQVNFTFSRKT-UHFFFAOYSA-N 1 0 512.525 6.962 1 0 KKAFRO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccnc(N)n3)[nH]2)cc1 ZINC000045201871 562659104 /nfs/dbraw/zinc/65/91/04/562659104.db2.gz WWHUJHHVOYMWPH-UHFFFAOYSA-N 1 0 505.066 5.840 1 0 KKAFRO COc1cccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000045202320 562659151 /nfs/dbraw/zinc/65/91/51/562659151.db2.gz CUMDJBLLBKVYBR-PKNBQFBNSA-N 1 0 533.500 5.588 1 0 KKAFRO C[NH+]1CCC(N(Cc2ccc(-c3cnc(NCc4ccccc4)nc3)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000045202849 562659202 /nfs/dbraw/zinc/65/92/02/562659202.db2.gz JSCHBSXMEYADCL-UHFFFAOYSA-N 1 0 527.694 5.041 1 0 KKAFRO COC(=O)c1sccc1NC(=S)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202671 562659233 /nfs/dbraw/zinc/65/92/33/562659233.db2.gz WREIISGIUKSNKX-UHFFFAOYSA-N 1 0 510.729 5.741 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000045226960 562659360 /nfs/dbraw/zinc/65/93/60/562659360.db2.gz SNSDLUATNFJJFS-AWNIVKPZSA-N 1 0 522.999 5.508 1 0 KKAFRO O=C(NCC[NH+]1CCC(c2ncc(-c3ccccc3)o2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045228995 562659457 /nfs/dbraw/zinc/65/94/57/562659457.db2.gz ROOGJQWECNCYNL-UHFFFAOYSA-N 1 0 529.040 5.857 1 0 KKAFRO CC(C)CCNC(=O)[C@@H]1Cc2c3ccc(Br)cc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045229375 562659548 /nfs/dbraw/zinc/65/95/48/562659548.db2.gz XXKSHQAEFQVORH-VWLOTQADSA-N 1 0 523.519 5.098 1 0 KKAFRO CC(C)CCNC(=O)[C@H]1Cc2c3ccc(Br)cc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045229378 562659589 /nfs/dbraw/zinc/65/95/89/562659589.db2.gz XXKSHQAEFQVORH-RUZDIDTESA-N 1 0 523.519 5.098 1 0 KKAFRO CC(C)CCNC(=O)[C@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045230156 562659612 /nfs/dbraw/zinc/65/96/12/562659612.db2.gz RQPRPEQJANVLEJ-RUZDIDTESA-N 1 0 523.519 5.098 1 0 KKAFRO CN1CC[NH+](Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000045231050 562659628 /nfs/dbraw/zinc/65/96/28/562659628.db2.gz XMWDOJYFQUTPJT-UHFFFAOYSA-N 1 0 500.646 7.185 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000045230210 562659661 /nfs/dbraw/zinc/65/96/61/562659661.db2.gz NTJSOYUWJIZESR-QHCPKHFHSA-N 1 0 523.621 5.281 1 0 KKAFRO CCc1c(C)[nH]c([C@@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)c1C ZINC000045290215 562660314 /nfs/dbraw/zinc/66/03/14/562660314.db2.gz DBVDFXZXXOCVEX-JHOBJCJYSA-N 1 0 519.649 5.770 1 0 KKAFRO CCc1c2cc(Br)ccc2[nH]c1C(=O)NC1CCC([NH+]2CCC(c3ccccc3C)CC2)CC1 ZINC000045301212 562660476 /nfs/dbraw/zinc/66/04/76/562660476.db2.gz SSTIZMZIIDEPDE-UHFFFAOYSA-N 1 0 522.531 6.722 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1I ZINC000045301630 562660526 /nfs/dbraw/zinc/66/05/26/562660526.db2.gz BHGICKWIFNESEE-UHFFFAOYSA-N 1 0 517.367 5.668 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@H]3CCCO3)C(=O)COc3ccccc3Cl)cc2)nc1 ZINC000045301453 562660552 /nfs/dbraw/zinc/66/05/52/562660552.db2.gz VTEUWHNTJNJGGT-RUZDIDTESA-N 1 0 508.062 5.488 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045302913 562660760 /nfs/dbraw/zinc/66/07/60/562660760.db2.gz WPNNUKSSBVSMJD-XYOKQWHBSA-N 1 0 510.509 7.043 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000045317821 562660870 /nfs/dbraw/zinc/66/08/70/562660870.db2.gz GGBHRKPDSPZDTC-QHCPKHFHSA-N 1 0 523.621 5.281 1 0 KKAFRO O=C(NC1CCN(CC[NH+]2CCc3ccccc3CC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000045322419 562661083 /nfs/dbraw/zinc/66/10/83/562661083.db2.gz KDAJUVKFJVYDFB-UHFFFAOYSA-N 1 0 521.627 5.667 1 0 KKAFRO O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000045323094 562661108 /nfs/dbraw/zinc/66/11/08/562661108.db2.gz JEVLVXHIUVQGIC-AWNIVKPZSA-N 1 0 518.599 5.530 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000045337827 562661433 /nfs/dbraw/zinc/66/14/33/562661433.db2.gz HNJRURJSFZGZST-XZWHSSHBSA-N 1 0 517.714 5.095 1 0 KKAFRO COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(Nc3cccc(Br)c3)c2cc1OC ZINC000045498038 562662794 /nfs/dbraw/zinc/66/27/94/562662794.db2.gz HJQMVMHBYLQUMC-UHFFFAOYSA-N 1 0 512.452 5.218 1 0 KKAFRO COc1cc(NCCC[NH2+]Cc2cn(Cc3cc(Br)cc(Br)c3)c3ccccc23)nc2ccccc21 ZINC000048307261 562662885 /nfs/dbraw/zinc/66/28/85/562662885.db2.gz LEQSNAOIRPQHDE-UHFFFAOYSA-N 1 0 608.378 7.363 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307343 562663035 /nfs/dbraw/zinc/66/30/35/562663035.db2.gz BTGARQGHTCRAIZ-JUVVUYAKSA-N 1 0 581.544 6.981 1 0 KKAFRO O=C(Cc1cccs1)N[C@@H](CCC[NH+]1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307389 562663058 /nfs/dbraw/zinc/66/30/58/562663058.db2.gz CDYMPJXDLURXRZ-SANMLTNESA-N 1 0 551.967 7.432 1 0 KKAFRO CN1c2ccc(OC(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000049034256 562663450 /nfs/dbraw/zinc/66/34/50/562663450.db2.gz FPOQWEVPCLQMKQ-WEZIJMHWSA-N 1 0 503.646 6.947 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1N1CCCCC1 ZINC000049054310 562663875 /nfs/dbraw/zinc/66/38/75/562663875.db2.gz WKVATBBYNLTZNW-UHFFFAOYSA-N 1 0 513.730 5.144 1 0 KKAFRO Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(NCC34CC[NH+](CC3)CC4)cc2)c1 ZINC000049111099 562664582 /nfs/dbraw/zinc/66/45/82/562664582.db2.gz WJWNCJMZJIZAHY-UHFFFAOYSA-N 1 0 502.622 5.729 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000049593090 562664957 /nfs/dbraw/zinc/66/49/57/562664957.db2.gz GGRJANYEADBCKA-DDKRZIBASA-N 1 0 572.672 5.095 1 0 KKAFRO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604964 562665115 /nfs/dbraw/zinc/66/51/15/562665115.db2.gz NXZZWVSDLWWOMB-NHCUHLMSSA-N 1 0 553.481 5.948 1 0 KKAFRO CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605043 562665251 /nfs/dbraw/zinc/66/52/51/562665251.db2.gz OKOUCPUJQFVFRO-RIYZIHGNSA-N 1 0 595.011 6.727 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3cn(CC(=O)N4CCCCC4)c4ccccc34)CC2)CC1 ZINC000049605049 562665255 /nfs/dbraw/zinc/66/52/55/562665255.db2.gz LVVXODPUPYCNKX-PKNBQFBNSA-N 1 0 621.653 7.092 1 0 KKAFRO O=c1[nH]c(NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)ncc1Cc1ccc(Cl)c(Cl)c1 ZINC000049605050 562665263 /nfs/dbraw/zinc/66/52/63/562665263.db2.gz NRGMMFDLCMTVBH-UHFFFAOYSA-N 1 0 538.523 6.611 1 0 KKAFRO COc1cccc(CCOc2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)NC2CC[NH+](Cc4ccccc4)CC2)[C@@H](Cc2ccc(O)cc2)C(=O)N3)c1 ZINC000049605089 562665316 /nfs/dbraw/zinc/66/53/16/562665316.db2.gz QUNKXPWBEYCFIL-PVXQIPPMSA-N 1 0 718.895 6.223 1 0 KKAFRO O=C(NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1)C1=CCCC1 ZINC000049605092 562665337 /nfs/dbraw/zinc/66/53/37/562665337.db2.gz UJDFHIVIRUREAQ-QHCPKHFHSA-N 1 0 588.344 5.413 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)c2snnc2-c2ccccc2)CC1 ZINC000049605232 562665549 /nfs/dbraw/zinc/66/55/49/562665549.db2.gz QAGMYLDHGRQJIQ-ZRDIBKRKSA-N 1 0 600.616 6.344 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC[C@@H]3CCC[N@@H+]3C)c(Cl)c2)C1 ZINC000049605257 562665582 /nfs/dbraw/zinc/66/55/82/562665582.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 1 0 597.225 5.563 1 0 KKAFRO O=C(Nc1ccc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)cc1)c1ccc(F)cc1 ZINC000049605458 562665903 /nfs/dbraw/zinc/66/59/03/562665903.db2.gz VIGKLLPPTMAXOP-UHFFFAOYSA-N 1 0 581.610 7.234 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(NC=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)cc1 ZINC000049605472 562665915 /nfs/dbraw/zinc/66/59/15/562665915.db2.gz FWHUCAQWPMDVHL-QJOMJCCJSA-N 1 0 601.556 5.444 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c(O)c3)CC2)ccc2c1CCCC2 ZINC000049605511 562665968 /nfs/dbraw/zinc/66/59/68/562665968.db2.gz UVSFOOREMMRHSJ-UHFFFAOYSA-N 1 0 547.139 6.990 1 0 KKAFRO O=C(N[C@@H](CCC[NH+]1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049605526 562666049 /nfs/dbraw/zinc/66/60/49/562666049.db2.gz YIWWKZYVHYEHKQ-MHZLTWQESA-N 1 0 617.461 9.162 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1 ZINC000049605593 562666084 /nfs/dbraw/zinc/66/60/84/562666084.db2.gz RIFCSFHNGLZPOL-YTTGMZPUSA-N 1 0 571.589 6.641 1 0 KKAFRO O=C(COc1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049605606 562666104 /nfs/dbraw/zinc/66/61/04/562666104.db2.gz PVRBGHFNVBBGNS-UHFFFAOYSA-N 1 0 576.352 6.205 1 0 KKAFRO COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC[NH+]1CCC(c2cccc(NC(C)=O)c2)CC1 ZINC000049605650 562666137 /nfs/dbraw/zinc/66/61/37/562666137.db2.gz PQAAYGSYEMLVNK-UHFFFAOYSA-N 1 0 629.182 6.993 1 0 KKAFRO Oc1ccc(CCNc2nc(NCc3cccc(-c4cc(C(F)(F)F)ccc4Cl)c3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049605749 562666272 /nfs/dbraw/zinc/66/62/72/562666272.db2.gz ZTVACILTNPPVOF-UHFFFAOYSA-N 1 0 584.046 5.593 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605728 562666312 /nfs/dbraw/zinc/66/63/12/562666312.db2.gz FWOCVWATTUPVMG-ZCNNSNEGSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605791 562666365 /nfs/dbraw/zinc/66/63/65/562666365.db2.gz NLPYUOOSZXDDEC-SLFFLAALSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605790 562666382 /nfs/dbraw/zinc/66/63/82/562666382.db2.gz NLPYUOOSZXDDEC-ZCNNSNEGSA-N 1 0 572.364 6.586 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3)c2)CC1 ZINC000049605998 562666495 /nfs/dbraw/zinc/66/64/95/562666495.db2.gz GVMNIWVLFUQINH-UHFFFAOYSA-N 1 0 666.686 6.704 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[C@@H](C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000049625771 562666857 /nfs/dbraw/zinc/66/68/57/562666857.db2.gz SQVDNFXUYIDDLV-PUHSMXRQSA-N 1 0 546.542 7.658 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049625799 562666876 /nfs/dbraw/zinc/66/68/76/562666876.db2.gz XUTWTQIWBIHHNQ-IZZDOVSWSA-N 1 0 557.444 6.162 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)[N@H+](C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625760 562666879 /nfs/dbraw/zinc/66/68/79/562666879.db2.gz DUQMUJILNSLNGH-OYRHEFFESA-N 1 0 535.648 6.548 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)[NH+](C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625765 562666888 /nfs/dbraw/zinc/66/68/88/562666888.db2.gz DUQMUJILNSLNGH-SFTDATJTSA-N 1 0 535.648 6.548 1 0 KKAFRO CC[NH+](CC)Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C(C)C)c2c1 ZINC000049625995 562666951 /nfs/dbraw/zinc/66/69/51/562666951.db2.gz CVWBGWXGUSQXNH-UHFFFAOYSA-N 1 0 703.796 9.030 1 0 KKAFRO COc1cc(-n2c(CN3CCCC3)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000049626336 562667154 /nfs/dbraw/zinc/66/71/54/562667154.db2.gz AGMBCYFPCLXZEI-UHFFFAOYSA-N 1 0 565.139 5.847 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)s2)cc1N1CC[NH+](C)CC1 ZINC000049626418 562667163 /nfs/dbraw/zinc/66/71/63/562667163.db2.gz MCUTTZDEJJQGGV-UHFFFAOYSA-N 1 0 610.784 5.984 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)cs2)cc1 ZINC000049626512 562667210 /nfs/dbraw/zinc/66/72/10/562667210.db2.gz WBHJKHQFAXZOKA-FQLXRVMXSA-N 1 0 542.753 6.054 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000049626701 562667306 /nfs/dbraw/zinc/66/73/06/562667306.db2.gz ZFZNQZYVMFLLBR-UHFFFAOYSA-N 1 0 552.600 8.477 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000049626817 562667394 /nfs/dbraw/zinc/66/73/94/562667394.db2.gz VDXKKUHLJJHUQH-WUXMJOGZSA-N 1 0 582.370 6.295 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(Cc3ccccc3)C(=O)O[C@@]21C ZINC000049637732 562667571 /nfs/dbraw/zinc/66/75/71/562667571.db2.gz UYXSXTIPTNZPII-UCOZVZGJSA-N 1 0 686.887 5.132 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C(=O)Cn1c2ccsc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049639222 562667717 /nfs/dbraw/zinc/66/77/17/562667717.db2.gz DTALLVPHYMKAAI-UHFFFAOYSA-N 1 0 683.797 7.341 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000049678275 562668469 /nfs/dbraw/zinc/66/84/69/562668469.db2.gz MNDIKUFVYLXDTF-UHFFFAOYSA-N 1 0 543.115 6.120 1 0 KKAFRO COC(=O)[C@H](C)CCCCCC[C@@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049678404 562668509 /nfs/dbraw/zinc/66/85/09/562668509.db2.gz IJADPUQVQVKFSF-XTVFTIHOSA-N 1 0 537.785 7.236 1 0 KKAFRO CC(=O)N(C)C1CC[NH+](CC[C@@](C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049679509 562668867 /nfs/dbraw/zinc/66/88/67/562668867.db2.gz OZJDKUMSRQSURZ-HHHXNRCGSA-N 1 0 538.947 5.896 1 0 KKAFRO O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049695225 562670319 /nfs/dbraw/zinc/67/03/19/562670319.db2.gz JNWVOPIDONHTEO-DKRHUIDYSA-N 1 0 555.504 6.794 1 0 KKAFRO C[NH+](C)CCn1cnc(C(=O)c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1 ZINC000049708572 562671004 /nfs/dbraw/zinc/67/10/04/562671004.db2.gz NXHDXFKJDNLGQF-UHFFFAOYSA-N 1 0 586.649 5.184 1 0 KKAFRO CCOP(=O)(OCC)[C@H](NCCc1c[nH]c2ccccc12)c1ccc([C@@H](NCCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708915 562671104 /nfs/dbraw/zinc/67/11/04/562671104.db2.gz GCQPKRXHOAIDEP-ZPGRZCPFSA-N 1 0 694.750 8.843 1 0 KKAFRO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccccc3OCCC[NH+](C)C)CC2)c1 ZINC000049709154 562671204 /nfs/dbraw/zinc/67/12/04/562671204.db2.gz VONDUVPNTYUSQQ-UHFFFAOYSA-N 1 0 615.863 7.215 1 0 KKAFRO O=S(=O)(CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049709210 562671237 /nfs/dbraw/zinc/67/12/37/562671237.db2.gz OJJXSTUFZUNQQP-RUZDIDTESA-N 1 0 608.251 5.276 1 0 KKAFRO CC(C)CCCC(C)(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NC(C)C)cc(N2CCCCS2(=O)=O)c1F ZINC000049710005 562671535 /nfs/dbraw/zinc/67/15/35/562671535.db2.gz RQFRIVMQMKGIAP-MFMCTBQISA-N 1 0 618.860 5.473 1 0 KKAFRO Brc1cc(Br)c2c(c1)[C@@H](NCCC[NH2+][C@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710600 562671750 /nfs/dbraw/zinc/67/17/50/562671750.db2.gz ZDEPMBSNSMMZEB-OALUTQOASA-N 1 0 652.067 6.720 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049722760 562672509 /nfs/dbraw/zinc/67/25/09/562672509.db2.gz UGNIWKNDOCCEKX-ZCHVWDMZSA-N 1 0 561.510 5.366 1 0 KKAFRO Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CC[NH+](C(C)C)CC3)c2n1 ZINC000049722791 562672547 /nfs/dbraw/zinc/67/25/47/562672547.db2.gz UQSSAAGJPYLTLH-UHFFFAOYSA-N 1 0 716.795 8.356 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000049722953 562672720 /nfs/dbraw/zinc/67/27/20/562672720.db2.gz OWXOYRCRTLDWRF-UHFFFAOYSA-N 1 0 584.082 8.268 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCC1=O ZINC000049723009 562672836 /nfs/dbraw/zinc/67/28/36/562672836.db2.gz FIINGJIAHDQYKF-QCENPCRXSA-N 1 0 560.783 5.685 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)cc(=O)c2ccccc21 ZINC000049723076 562672885 /nfs/dbraw/zinc/67/28/85/562672885.db2.gz VGFAXSPCRDTLNS-UHFFFAOYSA-N 1 0 675.792 8.489 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCS1(=O)=O ZINC000049723251 562673092 /nfs/dbraw/zinc/67/30/92/562673092.db2.gz YJNUYWLTDRIEEU-QCENPCRXSA-N 1 0 596.838 5.098 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCC[C@@H]3CCC[N@@H+]3C)nc21 ZINC000049723233 562673096 /nfs/dbraw/zinc/67/30/96/562673096.db2.gz UOYQTZDZPSCJOI-KRWDZBQOSA-N 1 0 574.558 5.868 1 0 KKAFRO Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CC[NH+](C)CC3)c2n1 ZINC000049723266 562673174 /nfs/dbraw/zinc/67/31/74/562673174.db2.gz POSHSLQCBNHANF-UHFFFAOYSA-N 1 0 688.741 7.577 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049723328 562673298 /nfs/dbraw/zinc/67/32/98/562673298.db2.gz JYXSCEONQOQFOF-ARKLPKAPSA-N 1 0 613.552 7.626 1 0 KKAFRO CC(C)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049744758 562673462 /nfs/dbraw/zinc/67/34/62/562673462.db2.gz JIGUGHQILNEKMB-RGCCYVKUSA-N 1 0 559.582 6.950 1 0 KKAFRO O=C(NC1CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000049744814 562673464 /nfs/dbraw/zinc/67/34/64/562673464.db2.gz HBLAUUKNLKHLLY-XIFFEERXSA-N 1 0 596.574 6.981 1 0 KKAFRO Cn1c2ccccc2c2c1CC[N@@H+](CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744821 562673517 /nfs/dbraw/zinc/67/35/17/562673517.db2.gz IQXWGZKFNGUKSB-HKBQPEDESA-N 1 0 548.514 6.301 1 0 KKAFRO CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3CC[N@H+](Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744930 562673535 /nfs/dbraw/zinc/67/35/35/562673535.db2.gz CIPFNSORHWWFGG-HKFHRXRESA-N 1 0 650.776 5.738 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000049745010 562673589 /nfs/dbraw/zinc/67/35/89/562673589.db2.gz LOMUDFQCNMEQPY-YRNVUSSQSA-N 1 0 564.985 6.408 1 0 KKAFRO O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049745395 562673848 /nfs/dbraw/zinc/67/38/48/562673848.db2.gz LALWPXBJMSLKPS-WJOKGBTCSA-N 1 0 579.726 5.555 1 0 KKAFRO Cc1cc(CNC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)oc1C ZINC000049745699 562673995 /nfs/dbraw/zinc/67/39/95/562673995.db2.gz RSQLXGHJDNEGTM-JOCHJYFZSA-N 1 0 602.371 6.013 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049746630 562674505 /nfs/dbraw/zinc/67/45/05/562674505.db2.gz KVPNRPRWDRVCLS-LEWJYISDSA-N 1 0 586.391 6.976 1 0 KKAFRO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049757344 562675865 /nfs/dbraw/zinc/67/58/65/562675865.db2.gz UPKUAZLDRZHBNE-PSWAGMNNSA-N 1 0 619.679 5.112 1 0 KKAFRO CC(C)[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771179 562677982 /nfs/dbraw/zinc/67/79/82/562677982.db2.gz JJYCGWVLRXDIGY-FRMAJCGESA-N 1 0 639.979 6.033 1 0 KKAFRO Cc1ccc(C[NH2+]CCCNC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2Cl)cc1 ZINC000049776353 562679426 /nfs/dbraw/zinc/67/94/26/562679426.db2.gz HZWNAVFBLNYHDU-UHFFFAOYSA-N 1 0 643.637 6.090 1 0 KKAFRO Cc1ccc(C(=O)N(CC[NH3+])C[C@H]2CC[C@H]3[C@H](c4ccccc4)Nc4ccc(C(F)(F)F)cc4[C@H]3O2)cc1 ZINC000049777199 562679777 /nfs/dbraw/zinc/67/97/77/562679777.db2.gz RAQSTOCPDXWQMP-JGPKDBRGSA-N 1 0 523.599 6.118 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(c5ncccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777228 562679824 /nfs/dbraw/zinc/67/98/24/562679824.db2.gz HYALMZIBFASEJD-LJAQVGFWSA-N 1 0 610.828 5.372 1 0 KKAFRO CC[NH+]1CCC(CNc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 ZINC000049777262 562679832 /nfs/dbraw/zinc/67/98/32/562679832.db2.gz QSIAXFKUFXOHHK-UHFFFAOYSA-N 1 0 570.701 7.248 1 0 KKAFRO CC(C)CC[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777901 562680651 /nfs/dbraw/zinc/68/06/51/562680651.db2.gz ZHOHXFLPKBOXJU-FQLXRVMXSA-N 1 0 635.856 6.323 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000049778323 562681172 /nfs/dbraw/zinc/68/11/72/562681172.db2.gz YWSRNMSVJIDYNV-DHIFEGFHSA-N 1 0 723.544 8.948 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049778312 562681205 /nfs/dbraw/zinc/68/12/05/562681205.db2.gz IMQBTGWOTKESLU-PDDLMNHVSA-N 1 0 709.517 8.558 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049780500 562681830 /nfs/dbraw/zinc/68/18/30/562681830.db2.gz YQPHBBQBBMIYLO-UHFFFAOYSA-N 1 0 601.637 5.473 1 0 KKAFRO O=C([C@H](C[NH2+]Cc1ccccc1)Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780755 562682179 /nfs/dbraw/zinc/68/21/79/562682179.db2.gz PPBSDRHRLCOCPR-NDEPHWFRSA-N 1 0 672.043 9.076 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781111 562682675 /nfs/dbraw/zinc/68/26/75/562682675.db2.gz FLBRXCIMTTVIKZ-AREMUKBSSA-N 1 0 618.045 7.464 1 0 KKAFRO CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049781164 562682730 /nfs/dbraw/zinc/68/27/30/562682730.db2.gz KMNARKQYUZICHM-ZRRKCSAHSA-N 1 0 600.194 6.703 1 0 KKAFRO C[N@@H+]1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5sccn54)n3)ccc2C1 ZINC000049781188 562682782 /nfs/dbraw/zinc/68/27/82/562682782.db2.gz MFPBQNCVIIGPOV-UHFFFAOYSA-N 1 0 571.710 6.433 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781265 562682843 /nfs/dbraw/zinc/68/28/43/562682843.db2.gz YYIOQINMOGBBMF-MHZLTWQESA-N 1 0 632.072 7.854 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C[C@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784679 562683719 /nfs/dbraw/zinc/68/37/19/562683719.db2.gz NRQKOIIFRGQHPK-MPQUPPDSSA-N 1 0 627.867 6.098 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+](C)C)c4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049792474 562684421 /nfs/dbraw/zinc/68/44/21/562684421.db2.gz CRVFIGQYZIENPM-UHFFFAOYSA-N 1 0 555.686 7.486 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793303 562684726 /nfs/dbraw/zinc/68/47/26/562684726.db2.gz FRRAUZMJATYIEM-ZDVLLTGQSA-N 1 0 628.883 5.580 1 0 KKAFRO C[C@@H](NC(=O)c1cc(-c2ccc([C@](C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049793401 562684803 /nfs/dbraw/zinc/68/48/03/562684803.db2.gz SPQNHSZTLTXJJP-PRAQEBQASA-N 1 0 549.668 5.389 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCC[NH+]5CCCC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049802205 562685550 /nfs/dbraw/zinc/68/55/50/562685550.db2.gz NRHIJVYWTBCVNR-UHFFFAOYSA-N 1 0 585.634 6.627 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[N@@H+]5CCCC[C@@H]5C)cc43)ccc2s1 ZINC000049802940 562686013 /nfs/dbraw/zinc/68/60/13/562686013.db2.gz ZQJHBBLMLRMQIY-IBGZPJMESA-N 1 0 534.682 6.417 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(Br)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000049803186 562686068 /nfs/dbraw/zinc/68/60/68/562686068.db2.gz YCLXPLCVVISSBE-UHFFFAOYSA-N 1 0 535.414 5.698 1 0 KKAFRO Cc1cc(N2CCC([NH+]3CCCC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049867356 562689448 /nfs/dbraw/zinc/68/94/48/562689448.db2.gz JKKIQRNCGVRLBH-AREMUKBSSA-N 1 0 547.103 5.090 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 ZINC000049878359 562690560 /nfs/dbraw/zinc/69/05/60/562690560.db2.gz YIEWASOTLYJHPP-UHFFFAOYSA-N 1 0 557.094 5.931 1 0 KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCCCC1 ZINC000049878537 562690672 /nfs/dbraw/zinc/69/06/72/562690672.db2.gz CFNBMDAXVAJPSE-UKILVPOCSA-N 1 0 540.717 6.402 1 0 KKAFRO O=C(c1ccco1)N1CC[C@@](CCC[NH+]2CCC3(CC2)C(=O)NCN3C2CCCCC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049881667 562691006 /nfs/dbraw/zinc/69/10/06/562691006.db2.gz PKQUEUZCMXKNLH-SSEXGKCCSA-N 1 0 587.592 5.707 1 0 KKAFRO Cc1ccc([C@H](NC(=O)CCCOc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)C(N)=[NH2+])cc1 ZINC000049888678 562691348 /nfs/dbraw/zinc/69/13/48/562691348.db2.gz DFYBQRFNCQVXQF-SANMLTNESA-N 1 0 537.451 5.502 1 0 KKAFRO CN1CC[C@]2(c3cccc4c3N[C@@H]3N(C)CC[C@]45[C@H]4Cc6c([C@]78CCN(C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[N@H+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691676 /nfs/dbraw/zinc/69/16/76/562691676.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 1 0 689.952 5.956 1 0 KKAFRO CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049917545 562693583 /nfs/dbraw/zinc/69/35/83/562693583.db2.gz IQAAGQVGHVNJOR-IGYGKHONSA-N 1 0 634.743 6.113 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(C)c2)CC1 ZINC000049917553 562693585 /nfs/dbraw/zinc/69/35/85/562693585.db2.gz IXAPGWPWIDFRAP-UHFFFAOYSA-N 1 0 586.058 6.161 1 0 KKAFRO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917589 562693645 /nfs/dbraw/zinc/69/36/45/562693645.db2.gz GGIHBVOKRSMNKK-GVAUOCQISA-N 1 0 543.539 5.768 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917614 562693681 /nfs/dbraw/zinc/69/36/81/562693681.db2.gz HOZWLRIMHVJKNF-SLFFLAALSA-N 1 0 605.916 6.952 1 0 KKAFRO Cc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC(F)(F)F)c1 ZINC000049917688 562693761 /nfs/dbraw/zinc/69/37/61/562693761.db2.gz GGIYDWFMKAPJGV-UHFFFAOYSA-N 1 0 602.097 7.231 1 0 KKAFRO Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NCC2CC[NH+](CC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC2)CCC3)cc1 ZINC000049917763 562693843 /nfs/dbraw/zinc/69/38/43/562693843.db2.gz CUEWEZLWZGCTLX-RIYZIHGNSA-N 1 0 670.725 8.469 1 0 KKAFRO CC[C@H](C[C@@H]([NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1)c1ccccc1OC ZINC000049917802 562693946 /nfs/dbraw/zinc/69/39/46/562693946.db2.gz DVBJCFUDWUVXHF-UTONBFNKSA-N 1 0 598.187 8.026 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C(=O)NC2CC[NH+](CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000049917823 562693950 /nfs/dbraw/zinc/69/39/50/562693950.db2.gz XLQDVAPKWHVWFB-UHFFFAOYSA-N 1 0 536.676 5.101 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049917810 562693962 /nfs/dbraw/zinc/69/39/62/562693962.db2.gz IGVIPNTVKMMVSN-FZCBKRAZSA-N 1 0 565.758 5.320 1 0 KKAFRO COc1cc(N[C@@H]2CCC[C@@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)nc2ccccc21 ZINC000049917853 562693988 /nfs/dbraw/zinc/69/39/88/562693988.db2.gz CRKRTZSDQVCDCH-DNQXCXABSA-N 1 0 540.689 5.948 1 0 KKAFRO COc1cc(N[C@H]2CCC[C@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)nc2ccccc21 ZINC000049917852 562693997 /nfs/dbraw/zinc/69/39/97/562693997.db2.gz CRKRTZSDQVCDCH-ZEQRLZLVSA-N 1 0 540.689 5.948 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cc(F)ccc2F)CC1 ZINC000049917894 562694066 /nfs/dbraw/zinc/69/40/66/562694066.db2.gz GZMXXVCTQIUXSW-WEVVVXLNSA-N 1 0 539.454 5.857 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000049917898 562694150 /nfs/dbraw/zinc/69/41/50/562694150.db2.gz GSMKYPQKTFSLHP-UHFFFAOYSA-N 1 0 536.676 5.433 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049917904 562694161 /nfs/dbraw/zinc/69/41/61/562694161.db2.gz FSOMMSGQRZRBMI-VZUCSPMQSA-N 1 0 557.444 6.162 1 0 KKAFRO [NH3+]CC(=O)Nc1cccc(Nc2nccc(-c3c4ccccn4nc3-c3cccc(NC(=O)c4ccccc4)c3)n2)c1 ZINC000049917966 562694216 /nfs/dbraw/zinc/69/42/16/562694216.db2.gz BFBWMMVUOGGIPL-UHFFFAOYSA-N 1 0 554.614 5.351 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)ccc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cc(Cl)ccc2OC)CC1 ZINC000049917965 562694224 /nfs/dbraw/zinc/69/42/24/562694224.db2.gz FGVBSWDVNIHGQJ-VBUXNIPYSA-N 1 0 543.495 5.355 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000049917944 562694227 /nfs/dbraw/zinc/69/42/27/562694227.db2.gz DHZXVBKFIJNTMF-WEVVVXLNSA-N 1 0 540.894 5.980 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000049917977 562694263 /nfs/dbraw/zinc/69/42/63/562694263.db2.gz ZWCDCZKDHKRCSM-NRFANRHFSA-N 1 0 537.648 5.528 1 0 KKAFRO CCCc1c(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc45)CC3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000049918036 562694313 /nfs/dbraw/zinc/69/43/13/562694313.db2.gz MFBKBKZDLWWNDL-UHFFFAOYSA-N 1 0 558.170 7.128 1 0 KKAFRO Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6nccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049918049 562694406 /nfs/dbraw/zinc/69/44/06/562694406.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 1 0 553.710 6.554 1 0 KKAFRO O=C(c1ccc(F)cc1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049918108 562694440 /nfs/dbraw/zinc/69/44/40/562694440.db2.gz OWXFBRUOUNYNQU-SSEXGKCCSA-N 1 0 541.494 6.770 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000049918121 562694479 /nfs/dbraw/zinc/69/44/79/562694479.db2.gz OYNFNIUONBHBTC-ICCXZJDVSA-N 1 0 609.598 7.619 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000049918136 562694512 /nfs/dbraw/zinc/69/45/12/562694512.db2.gz LCLZHEAWGYJZLV-YVIRBKRRSA-N 1 0 617.643 6.312 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2CCN(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000049918161 562694550 /nfs/dbraw/zinc/69/45/50/562694550.db2.gz MJQDSJDBVNEVPI-UHFFFAOYSA-N 1 0 634.530 5.845 1 0 KKAFRO COc1ccc(C[N@H+](C)CCOc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049918153 562694584 /nfs/dbraw/zinc/69/45/84/562694584.db2.gz PSMUDBZEMDXFLN-UHFFFAOYSA-N 1 0 563.654 5.975 1 0 KKAFRO CC[N@H+](CCC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000049938428 562695259 /nfs/dbraw/zinc/69/52/59/562695259.db2.gz LLHJBFFDBZCULR-JHOUSYSJSA-N 1 0 669.232 8.056 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000049938402 562695288 /nfs/dbraw/zinc/69/52/88/562695288.db2.gz ZHRKDWCBKIOLKI-DLTAMOENSA-N 1 0 702.856 5.663 1 0 in-vivo KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)(C)c3ccc(Cl)cc3)C2)C1 ZINC000049942277 562695414 /nfs/dbraw/zinc/69/54/14/562695414.db2.gz HBXQWXWOURVHKD-ZWXJPIIXSA-N 1 0 655.205 7.666 1 0 KKAFRO O=C(CCCCCN1c2ccccc2Sc2ccccc21)NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1 ZINC000052988086 562696077 /nfs/dbraw/zinc/69/60/77/562696077.db2.gz AQBPJOJJIZBFGV-UHFFFAOYSA-N 1 0 613.831 8.159 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(C(=O)Nc3ccccc3)cc1)CC2 ZINC000053230101 562696700 /nfs/dbraw/zinc/69/67/00/562696700.db2.gz DIDIXNRNEYMTGZ-LJAQVGFWSA-N 1 0 544.740 5.371 1 0 KKAFRO CCCCN1C(=O)[C@@H](CCCC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244088 562696845 /nfs/dbraw/zinc/69/68/45/562696845.db2.gz UAFMNOKGJKMIFS-WJOKGBTCSA-N 1 0 545.768 6.691 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Sc3ccccc3)cc1)CC2 ZINC000053243879 562696856 /nfs/dbraw/zinc/69/68/56/562696856.db2.gz ISASJOXLSUCJLQ-LJAQVGFWSA-N 1 0 533.782 6.270 1 0 KKAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc3ncccc32)n1 ZINC000053276048 562697018 /nfs/dbraw/zinc/69/70/18/562697018.db2.gz PEPOAPKYASCEKL-UHFFFAOYSA-N 1 0 508.630 5.532 1 0 in-vitro KKAFRO OCC[NH+]1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053295637 562697309 /nfs/dbraw/zinc/69/73/09/562697309.db2.gz PQDYIDKPHBDXOW-UHFFFAOYSA-N 1 0 608.547 5.181 1 0 KKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297058 562697415 /nfs/dbraw/zinc/69/74/15/562697415.db2.gz FAIUHYZCSXCGFU-HSZRJFAPSA-N 1 0 580.615 5.571 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053298479 562697501 /nfs/dbraw/zinc/69/75/01/562697501.db2.gz ROOYPSZUFDXWEH-UHFFFAOYSA-N 1 0 568.604 5.428 1 0 KKAFRO CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000055646874 562697704 /nfs/dbraw/zinc/69/77/04/562697704.db2.gz RCAXDUZVJIMXJF-UFZHQWOOSA-N 1 0 620.810 6.044 1 0 KKAFRO COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N@@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000058549977 562699138 /nfs/dbraw/zinc/69/91/38/562699138.db2.gz RWSZLMVCERHQGM-BHDXBOSCSA-N 1 0 506.646 6.019 1 0 KKAFRO CN(Cc1ccccc1)C(=S)SC[C@H](O)C[N@H+](C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000058566818 562699506 /nfs/dbraw/zinc/69/95/06/562699506.db2.gz RRXLVZYMIDIHBC-VPUSJEBWSA-N 1 0 562.723 6.658 1 0 KKAFRO Cn1c(C(=O)N2CCC(C(N)=O)(N3CCOCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058575878 562699646 /nfs/dbraw/zinc/69/96/46/562699646.db2.gz BNPSKGKNVULNAV-UHFFFAOYSA-N 1 0 575.924 5.112 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCN2CCOCC2)c1 ZINC000058583977 562700186 /nfs/dbraw/zinc/70/01/86/562700186.db2.gz QKHOLXLFLLYGOZ-JGCGQSQUSA-N 1 0 728.758 6.358 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H](Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)[C@H](C)[NH3+])C2CC2)c1 ZINC000058590571 562700288 /nfs/dbraw/zinc/70/02/88/562700288.db2.gz PNFFLTFSMYFUAO-RBISFHTESA-N 1 0 634.044 7.299 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)N1CCOCC1 ZINC000058592597 562700650 /nfs/dbraw/zinc/70/06/50/562700650.db2.gz XDVCARASNWEHQA-FBXLTAPESA-N 1 0 658.230 5.821 1 0 KKAFRO CC[NH+](CC)[C@@H](C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058603509 562700920 /nfs/dbraw/zinc/70/09/20/562700920.db2.gz MFKSCHLTNILBBP-QFIPXVFZSA-N 1 0 551.562 7.559 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NC(=O)OC)c2)ccc1OC(C)C ZINC000059375794 562702035 /nfs/dbraw/zinc/70/20/35/562702035.db2.gz BWEOJIQOGIMVLP-NDEPHWFRSA-N 1 0 557.651 5.651 1 0 KKAFRO CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687917 562702117 /nfs/dbraw/zinc/70/21/17/562702117.db2.gz AXZSTWFPHUHVFF-RPWUZVMVSA-N 1 0 506.731 7.868 1 0 KKAFRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061903055 562702991 /nfs/dbraw/zinc/70/29/91/562702991.db2.gz MMSCUXAIYVHNAD-GDLZYMKVSA-N 1 0 517.094 7.312 3 0 KKAFRO Cc1ccccc1[C@@H](c1ncccc1C)N(C)C(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906047 562703003 /nfs/dbraw/zinc/70/30/03/562703003.db2.gz SMHWNDJHYPROPY-NDEPHWFRSA-N 1 0 526.508 6.344 3 0 KKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1 ZINC000061906945 562703071 /nfs/dbraw/zinc/70/30/71/562703071.db2.gz IRICOWBXTOLKEW-RUZDIDTESA-N 1 0 519.494 6.060 3 0 KKAFRO CC[NH+](CC)CCNC(=O)/C=C/c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc21 ZINC000063298211 562704447 /nfs/dbraw/zinc/70/44/47/562704447.db2.gz XJSFDMGICAWQFS-SDNWHVSQSA-N 1 0 542.709 5.969 1 0 KKAFRO Clc1ccc2c(c1)nccc2NCCCN1CC[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000064264533 562704678 /nfs/dbraw/zinc/70/46/78/562704678.db2.gz XSCNYDWTZVPKTE-UHFFFAOYSA-N 1 0 547.146 7.300 1 0 KKAFRO CC(=O)NCc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000064437178 562705246 /nfs/dbraw/zinc/70/52/46/562705246.db2.gz JOPIHJAFZWEPQJ-YRHDVGGASA-N 1 0 557.154 6.578 1 0 KKAFRO CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(C[N@H+](CC)C/C3=C\c3ccc(C)cc3)[C@H](c3ccc(C)cc3)N12 ZINC000064448749 562705533 /nfs/dbraw/zinc/70/55/33/562705533.db2.gz CLKHEKQGFSCBKT-RBPAETEQSA-N 1 0 559.714 6.395 1 0 KKAFRO Cc1nc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)no1 ZINC000064513594 562706418 /nfs/dbraw/zinc/70/64/18/562706418.db2.gz OJRQPZOLXCDUKG-REUBFRLUSA-N 1 0 625.204 7.457 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1ccc(OC(F)(F)F)cc1 ZINC000064527369 562706856 /nfs/dbraw/zinc/70/68/56/562706856.db2.gz HEHDAZIBBGELGL-UHFFFAOYSA-N 1 0 628.667 8.280 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1ccc(C(F)(F)F)cc1 ZINC000064527368 562706864 /nfs/dbraw/zinc/70/68/64/562706864.db2.gz OGTUBJOLZHSNIY-UHFFFAOYSA-N 1 0 612.668 8.400 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2nnco2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064527764 562707153 /nfs/dbraw/zinc/70/71/53/562707153.db2.gz OJUNTGQGOBJANH-WEWMWRJBSA-N 1 0 611.177 7.149 1 0 KKAFRO C[NH+](C)CCC(=O)N1CCN(c2ccc(Nc3ccnc4ccc(-c5cnc6ccccc6c5)cc43)cc2C(F)(F)F)CC1 ZINC000064539866 562707626 /nfs/dbraw/zinc/70/76/26/562707626.db2.gz OEQWGNFMKFHQBV-UHFFFAOYSA-N 1 0 598.673 6.813 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4cncnc4)cc3C)cc2)c(Cl)c1 ZINC000064549012 562707952 /nfs/dbraw/zinc/70/79/52/562707952.db2.gz ZZSISKROUSJEHP-HSZRJFAPSA-N 1 0 522.476 6.810 1 0 KKAFRO COc1ccc([C@@H]2[C@H](c3ccccc3)[NH2+][C@]3(c4ccccc4NC3=O)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549681 562708110 /nfs/dbraw/zinc/70/81/10/562708110.db2.gz SHTVSSZRECVTPJ-KZKDOPAFSA-N 1 0 576.649 5.422 1 0 KKAFRO O=C(/C=C\c1ccc(F)c(Br)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000064608268 562708867 /nfs/dbraw/zinc/70/88/67/562708867.db2.gz CRTYVJVWHSONBI-VURMDHGXSA-N 1 0 524.478 6.201 1 0 KKAFRO Cn1nc(C2CC[NH+](CCC(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1-c1ccncc1 ZINC000066066061 562709254 /nfs/dbraw/zinc/70/92/54/562709254.db2.gz UTOHWSYLKKQSIB-VWLOTQADSA-N 1 0 552.510 5.598 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066446 562709380 /nfs/dbraw/zinc/70/93/80/562709380.db2.gz XQZPJUKBNPBJEI-UVMMSNCQSA-N 1 0 578.584 6.346 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073968 562709611 /nfs/dbraw/zinc/70/96/11/562709611.db2.gz RXIFDJMCJKEING-XIFFEERXSA-N 1 0 606.815 5.653 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066074178 562709725 /nfs/dbraw/zinc/70/97/25/562709725.db2.gz IUQXTXGECLYMQG-SANMLTNESA-N 1 0 590.515 6.401 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074423 562709861 /nfs/dbraw/zinc/70/98/61/562709861.db2.gz JVAFIFLJBRUNJB-WJOKGBTCSA-N 1 0 578.761 5.220 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066075092 562709932 /nfs/dbraw/zinc/70/99/32/562709932.db2.gz OMOZANRLCKXLFC-QVWWMRLHSA-N 1 0 531.647 5.009 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)Nc1ccccc1-c1ccccc1 ZINC000066075798 562710058 /nfs/dbraw/zinc/71/00/58/562710058.db2.gz XWOZZFOEVKMVJC-LJAQVGFWSA-N 1 0 534.616 5.410 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000066077279 562710289 /nfs/dbraw/zinc/71/02/89/562710289.db2.gz LUQLRZHZGXZFIB-GMCHKSTQSA-N 1 0 581.654 5.888 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccccc2F)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066078460 562710415 /nfs/dbraw/zinc/71/04/15/562710415.db2.gz DHQDDKPFKFTCEM-IEWVHIKDSA-N 1 0 582.547 6.176 1 0 KKAFRO C[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066079087 562710548 /nfs/dbraw/zinc/71/05/48/562710548.db2.gz ZCWZXRIDERBDQN-NRFANRHFSA-N 1 0 530.544 5.190 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000066098349 562710884 /nfs/dbraw/zinc/71/08/84/562710884.db2.gz PIMLSCWBKRKXLA-QRRWFCJLSA-N 1 0 624.609 6.054 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000066098344 562710915 /nfs/dbraw/zinc/71/09/15/562710915.db2.gz PIMLSCWBKRKXLA-NDOVKIIASA-N 1 0 624.609 6.054 1 0 KKAFRO COc1cc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 ZINC000066098358 562710917 /nfs/dbraw/zinc/71/09/17/562710917.db2.gz HFXOGTRXHXSDKI-QRRWFCJLSA-N 1 0 624.609 6.054 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cccs2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099064 562711051 /nfs/dbraw/zinc/71/10/51/562711051.db2.gz FJASHILMBMXOEQ-NGQVCNFZSA-N 1 0 570.586 6.099 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCC2(O)CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103542 562711572 /nfs/dbraw/zinc/71/15/72/562711572.db2.gz XJJSTZDQCCHFFI-IUUBXHLCSA-N 1 0 582.623 5.141 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000066112639 562712076 /nfs/dbraw/zinc/71/20/76/562712076.db2.gz PMCMZVCDFBQLGH-GMCHKSTQSA-N 1 0 581.654 5.888 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3cc(OC4CC[NH+](C5CC5)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114310 562712313 /nfs/dbraw/zinc/71/23/13/562712313.db2.gz ZUDYNCJHVWNHDF-IBGZPJMESA-N 1 0 564.608 6.289 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(OCCC[NH+](C)C)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114308 562712349 /nfs/dbraw/zinc/71/23/49/562712349.db2.gz OEVZUXKNDLGAKU-GOSISDBHSA-N 1 0 526.559 5.614 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000066136308 562713035 /nfs/dbraw/zinc/71/30/35/562713035.db2.gz FYUDBAMLWPXVFL-RLYJWURVSA-N 1 0 629.802 5.149 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136359 562713076 /nfs/dbraw/zinc/71/30/76/562713076.db2.gz QBCPLURXVNHHSR-ZLESDFJESA-N 1 0 628.009 6.270 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000066136636 562713254 /nfs/dbraw/zinc/71/32/54/562713254.db2.gz QMWRRMYICQUONI-ULQPQYINSA-N 1 0 627.807 5.435 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000066138947 562713391 /nfs/dbraw/zinc/71/33/91/562713391.db2.gz NOWHXTYRWKQEBH-RDXDNIQESA-N 1 0 626.729 6.614 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000066148681 562713636 /nfs/dbraw/zinc/71/36/36/562713636.db2.gz DHCQKYJUILKYHB-NVOANOBXSA-N 1 0 607.751 6.012 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000066167181 562714272 /nfs/dbraw/zinc/71/42/72/562714272.db2.gz PQKMCXHOMZBFEK-TWVHRYOLSA-N 1 0 571.718 5.108 3 0 KKAFRO C[N@@H+]1CCCC[C@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251144 562714426 /nfs/dbraw/zinc/71/44/26/562714426.db2.gz JZNBBUHXLHNYJX-FQEVSTJZSA-N 1 0 579.593 6.154 1 0 KKAFRO C[NH2+][C@@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258696 562715045 /nfs/dbraw/zinc/71/50/45/562715045.db2.gz VXNXKOQHRMWNCX-GOSISDBHSA-N 1 0 551.539 5.056 1 0 KKAFRO COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C[NH2+]CC(C)C)cc3)n2)C2CCCC2)cc1 ZINC000066259821 562715352 /nfs/dbraw/zinc/71/53/52/562715352.db2.gz LZSJGBRKLXWGBL-UHFFFAOYSA-N 1 0 513.729 5.698 1 0 KKAFRO O=C(C[C@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087522 562715761 /nfs/dbraw/zinc/71/57/61/562715761.db2.gz QQTTXXWIKKBHGS-PMERELPUSA-N 1 0 637.564 6.148 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068078767 562715766 /nfs/dbraw/zinc/71/57/66/562715766.db2.gz YOVYFFNNBORHTK-LXQNXJGFSA-N 1 0 652.230 6.275 1 0 KKAFRO CS(=O)(=O)Nc1ccc(Oc2ccc(C[NH+]3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)c(C3CC3)n2)cc1 ZINC000068149572 562715818 /nfs/dbraw/zinc/71/58/18/562715818.db2.gz DRTARUBCBISVIX-UHFFFAOYSA-N 1 0 655.781 5.320 1 0 KKAFRO COCCCc1cc2ccccc2c(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000068249627 562716204 /nfs/dbraw/zinc/71/62/04/562716204.db2.gz VOVWPJYRKUBSTK-JOMNFKBKSA-N 1 0 520.620 5.223 1 0 KKAFRO COCCOc1cc(CC2CC[NH+](CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000068251388 562716281 /nfs/dbraw/zinc/71/62/81/562716281.db2.gz SFSHLVIDXGQAHA-UHFFFAOYSA-N 1 0 500.433 5.078 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631598 562716441 /nfs/dbraw/zinc/71/64/41/562716441.db2.gz NWYSTKOQSNEIDT-KHMDJKJYSA-N 1 0 559.795 6.114 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(N(C)C(C)=O)CC3)C(C)(C)C2)cc1 ZINC000070631585 562716453 /nfs/dbraw/zinc/71/64/53/562716453.db2.gz JASFWVIOOFYYRD-FWZXWOTPSA-N 1 0 518.742 6.674 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(F)cc1 ZINC000070631590 562716461 /nfs/dbraw/zinc/71/64/61/562716461.db2.gz GVAXSJYBNRKJRZ-USOMCTOXSA-N 1 0 533.732 5.854 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4nnco4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631602 562716468 /nfs/dbraw/zinc/71/64/68/562716468.db2.gz UBYUNVBXEJWFMM-JBBQQGGESA-N 1 0 516.686 5.532 1 0 KKAFRO COc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294987 562717049 /nfs/dbraw/zinc/71/70/49/562717049.db2.gz SZAANLLMNABGDA-BWMKXQIXSA-N 1 0 548.731 6.477 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296446 562717574 /nfs/dbraw/zinc/71/75/74/562717574.db2.gz OMQIHQKBNCOMND-SLQAJWMNSA-N 1 0 592.489 7.158 1 0 KKAFRO Cc1cccnc1O[C@H](c1ccc(Br)cc1)C1CC[NH+]([C@@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071315957 562717789 /nfs/dbraw/zinc/71/77/89/562717789.db2.gz BPLIGEHINHNRPM-AFMDSPMNSA-N 1 0 606.392 6.895 1 0 KKAFRO COc1ccc(CC[N@@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000071316418 562717932 /nfs/dbraw/zinc/71/79/32/562717932.db2.gz BFJYFZCAHAPDKV-RPLLCQBOSA-N 1 0 522.089 5.111 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC(=O)c1c(F)cccc1C(F)(F)F)CCc1cc2c(cc1-3)OCO2 ZINC000071317085 562718106 /nfs/dbraw/zinc/71/81/06/562718106.db2.gz NNWSRDHZVNCNDM-UHFFFAOYSA-N 1 0 512.435 5.465 1 0 KKAFRO Cc1ccnc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071317447 562718224 /nfs/dbraw/zinc/71/82/24/562718224.db2.gz BVAMORINWXWHBN-UZTOHYMASA-N 1 0 606.392 6.895 1 0 KKAFRO Cc1nc(N2CC[NH+](C)CC2)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071329424 562718881 /nfs/dbraw/zinc/71/88/81/562718881.db2.gz GVBGRESFEXAWSN-UHFFFAOYSA-N 1 0 536.520 5.776 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330042 562719078 /nfs/dbraw/zinc/71/90/78/562719078.db2.gz NKCYWBUHTRUFPD-FQEVSTJZSA-N 1 0 590.393 6.831 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000071330648 562719175 /nfs/dbraw/zinc/71/91/75/562719175.db2.gz YMSJXXKWDBHBAF-JYFHCDHNSA-N 1 0 542.598 5.419 1 0 KKAFRO [NH3+]CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071332268 562719366 /nfs/dbraw/zinc/71/93/66/562719366.db2.gz NXWHUSWLVBSIJF-AZGAKELHSA-N 1 0 593.323 6.106 1 0 KKAFRO COc1cccc(-c2nc3ccc(-c4cccc(C[NH+]5CCCCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1 ZINC000071334178 562719559 /nfs/dbraw/zinc/71/95/59/562719559.db2.gz FBNFOSFZHMHZQA-UHFFFAOYSA-N 1 0 524.665 5.250 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072104204 562720400 /nfs/dbraw/zinc/72/04/00/562720400.db2.gz BXFZIXJRVHHTCE-DOKVQHETSA-N 1 0 678.336 6.448 3 0 KKAFRO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1OC ZINC000072105262 562720780 /nfs/dbraw/zinc/72/07/80/562720780.db2.gz DEPFELXILGDVCO-UHFFFAOYSA-N 1 0 524.109 5.046 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105449 562720821 /nfs/dbraw/zinc/72/08/21/562720821.db2.gz PSJSZKOMQQEERG-UHFFFAOYSA-N 1 0 525.672 5.546 1 0 KKAFRO CC(=O)OCOC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000072109685 562721595 /nfs/dbraw/zinc/72/15/95/562721595.db2.gz ARKRKMZELPFPIX-UHFFFAOYSA-N 1 0 547.573 7.337 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109995 562721704 /nfs/dbraw/zinc/72/17/04/562721704.db2.gz CMEPDLTWIKLVDG-GKRYNVPLSA-N 1 0 628.248 7.339 1 0 KKAFRO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)CCc2ccccn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110846 562721837 /nfs/dbraw/zinc/72/18/37/562721837.db2.gz AAAOTGDHZDZLFN-UHFFFAOYSA-N 1 0 682.753 5.960 1 0 KKAFRO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111181 562721916 /nfs/dbraw/zinc/72/19/16/562721916.db2.gz BRIOAEVHOZQBJW-YQLOHFSOSA-N 1 0 588.755 6.583 1 0 KKAFRO COc1cccc(CN2C[C@@H](C)[N@H+](C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C3)C[C@@H]2C)c1 ZINC000072111470 562721993 /nfs/dbraw/zinc/72/19/93/562721993.db2.gz FXHJFVBIFNFURF-JLDOSVOOSA-N 1 0 536.801 5.933 1 0 KKAFRO C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112102 562722038 /nfs/dbraw/zinc/72/20/38/562722038.db2.gz UQIQJLFPVUVNNJ-CHWPHWHQSA-N 1 0 520.758 5.564 1 0 KKAFRO COc1cccc(CN2CC[NH+](C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C3)CC2)c1 ZINC000072112243 562722070 /nfs/dbraw/zinc/72/20/70/562722070.db2.gz KBSGOCXVBNJNAN-AXMKIEGESA-N 1 0 508.747 5.156 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6cc(C(F)(F)F)ccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112738 562722154 /nfs/dbraw/zinc/72/21/54/562722154.db2.gz BNMHOXBZANQWPE-YISDRRAZSA-N 1 0 614.715 7.185 1 0 KKAFRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112721 562722166 /nfs/dbraw/zinc/72/21/66/562722166.db2.gz RBGMXQYBCHIQGD-FYCJCQSNSA-N 1 0 624.810 6.132 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)OCC[NH+](C)C)c(OC(C)C)c1 ZINC000072114295 562722667 /nfs/dbraw/zinc/72/26/67/562722667.db2.gz UNDGFWXBHFJPGJ-WUFINQPMSA-N 1 0 570.517 7.032 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114663 562722796 /nfs/dbraw/zinc/72/27/96/562722796.db2.gz ZXABVNHCORODRA-RXCFDRAVSA-N 1 0 519.730 5.863 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CCN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072114811 562722820 /nfs/dbraw/zinc/72/28/20/562722820.db2.gz DKXHFFZMSYMRIM-AJQTZOPKSA-N 1 0 609.598 6.498 1 0 KKAFRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118158 562723452 /nfs/dbraw/zinc/72/34/52/562723452.db2.gz KYIVTVHLBYHQGA-MRDQGFSESA-N 1 0 560.542 7.556 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(Cl)cc1Cl ZINC000072118715 562723652 /nfs/dbraw/zinc/72/36/52/562723652.db2.gz VCZNSIOBRPJWNC-QFIPXVFZSA-N 1 0 529.493 5.755 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127048 562725580 /nfs/dbraw/zinc/72/55/80/562725580.db2.gz GMAGJOWBPJKTNU-CUPIEXAXSA-N 1 0 678.025 6.172 3 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128002 562725992 /nfs/dbraw/zinc/72/59/92/562725992.db2.gz ULDPFQYFHJFBOQ-SPWOZAQASA-N 1 0 726.069 6.759 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072128562 562726065 /nfs/dbraw/zinc/72/60/65/562726065.db2.gz GMYAYTAKTSTYEI-BUUPBASBSA-N 1 0 608.702 5.707 3 0 KKAFRO CCCCNC(=O)[C@@H](C)N(CC[NH+](C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128635 562726135 /nfs/dbraw/zinc/72/61/35/562726135.db2.gz LNLNGNGPLSBRDR-SYBRLPANSA-N 1 0 668.279 5.679 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128657 562726189 /nfs/dbraw/zinc/72/61/89/562726189.db2.gz CVZSJBNOKILKBT-KWRMZWAXSA-N 1 0 662.026 6.467 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000072129808 562726437 /nfs/dbraw/zinc/72/64/37/562726437.db2.gz QIFOUWVZHMYOII-ZVBBVAIHSA-N 1 0 682.237 6.356 1 0 KKAFRO O=C(Nc1ccn(CCC[NH+](CCCn2ccc(NC(=O)OCc3ccccc3)nc2=O)CCc2cc3ccccc3[nH]2)c(=O)n1)OCc1ccccc1 ZINC000072131703 562726754 /nfs/dbraw/zinc/72/67/54/562726754.db2.gz GLASGFXNDDHPAQ-UHFFFAOYSA-N 1 0 730.826 5.804 3 0 KKAFRO COC(=O)c1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000072132825 562726887 /nfs/dbraw/zinc/72/68/87/562726887.db2.gz BBPIAZGYCZVTCO-DNOBIOAJSA-N 1 0 639.502 6.630 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072132834 562726944 /nfs/dbraw/zinc/72/69/44/562726944.db2.gz DSJGKJAUOYZTRF-WGDIFIGCSA-N 1 0 649.463 7.862 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072141837 562729405 /nfs/dbraw/zinc/72/94/05/562729405.db2.gz OHQLEHLHTMWMEB-WNQXLSPZSA-N 1 0 678.025 6.172 3 0 KKAFRO CC[N@H+]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000072142829 562729639 /nfs/dbraw/zinc/72/96/39/562729639.db2.gz DCZQYXXNARKPSE-IQLGSKCJSA-N 1 0 573.690 5.691 3 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1 ZINC000072147614 562729765 /nfs/dbraw/zinc/72/97/65/562729765.db2.gz NWBHPVPAOTWCAU-FTJBHMTQSA-N 1 0 671.572 6.974 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(OCC3=C[C@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147595 562729771 /nfs/dbraw/zinc/72/97/71/562729771.db2.gz LDOOJWYIGGXIHB-TVYLWUJTSA-N 1 0 689.587 5.383 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CCNCC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147862 562729926 /nfs/dbraw/zinc/72/99/26/562729926.db2.gz HQUBELNKAYGYNB-WDYNHAJCSA-N 1 0 695.078 7.695 1 0 KKAFRO COc1ccc(N(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH2+]CC1 ZINC000072148953 562730001 /nfs/dbraw/zinc/73/00/01/562730001.db2.gz WYZVUFZJUDXVBW-UHFFFAOYSA-N 1 0 685.293 6.085 1 0 KKAFRO COc1ccc([C@@H](C)C[NH+](C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172293 562730678 /nfs/dbraw/zinc/73/06/78/562730678.db2.gz WCJGGTAAPIAIJS-OXJNZVENSA-N 1 0 737.894 6.367 1 0 KKAFRO COc1ccc([C@H](C)C[NH+](C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172283 562730692 /nfs/dbraw/zinc/73/06/92/562730692.db2.gz WCJGGTAAPIAIJS-MOOMJTKZSA-N 1 0 737.894 6.367 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072174713 562731130 /nfs/dbraw/zinc/73/11/30/562731130.db2.gz HZKBLVKLARJXIY-XRHLQHRESA-N 1 0 648.475 8.467 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072174715 562731166 /nfs/dbraw/zinc/73/11/66/562731166.db2.gz HZKBLVKLARJXIY-MYUZEXMDSA-N 1 0 648.475 8.467 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072174714 562731168 /nfs/dbraw/zinc/73/11/68/562731168.db2.gz HZKBLVKLARJXIY-DNOBIOAJSA-N 1 0 648.475 8.467 1 0 KKAFRO C[N@@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072176058 562731479 /nfs/dbraw/zinc/73/14/79/562731479.db2.gz FAARBONZNUWMQE-UHFFFAOYSA-N 1 0 602.649 7.112 1 0 KKAFRO COc1ccc(-c2cc3cnccc3cc2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C2CC[NH2+]CC2)cc1 ZINC000072179851 562732414 /nfs/dbraw/zinc/73/24/14/562732414.db2.gz MWZGSRQNMKTYFY-NDEPHWFRSA-N 1 0 520.460 6.688 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000072317170 562733188 /nfs/dbraw/zinc/73/31/88/562733188.db2.gz ASNRYHMAHRHWQB-UHFFFAOYSA-N 1 0 604.677 6.295 1 0 KKAFRO C[C@H](O)C(=O)N(CC[C@H]([NH3+])CF)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000072317542 562733241 /nfs/dbraw/zinc/73/32/41/562733241.db2.gz QBRBRGZPDHLDGV-SZUKKWSHSA-N 1 0 517.592 5.194 1 0 KKAFRO O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318474 562733276 /nfs/dbraw/zinc/73/32/76/562733276.db2.gz WOSGPVNODROINW-FCEKVYKBSA-N 1 0 569.490 6.218 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1 ZINC000073138644 562733392 /nfs/dbraw/zinc/73/33/92/562733392.db2.gz WYPKPMSOWOXCPF-XJFCNFDWSA-N 1 0 551.584 5.234 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@H]1C)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073165327 562734408 /nfs/dbraw/zinc/73/44/08/562734408.db2.gz OOABQHAHAYDPIZ-JOCHJYFZSA-N 1 0 630.214 8.454 1 0 KKAFRO CC[C@H](C)[C@@]1([NH3+])CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O ZINC000073196272 562735068 /nfs/dbraw/zinc/73/50/68/562735068.db2.gz GDLPSXPOCXMLPO-ARLAPDOKSA-N 1 0 634.906 5.021 1 0 KKAFRO O=C(CCc1ccccc1)N1CCC[C@H](C[NH+](Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)C1 ZINC000073197134 562735294 /nfs/dbraw/zinc/73/52/94/562735294.db2.gz WJKUPKIGLHZQON-UUWRZZSWSA-N 1 0 578.800 8.894 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000073197654 562735410 /nfs/dbraw/zinc/73/54/10/562735410.db2.gz YSVMMPOFNJLWKA-SVBPBHIXSA-N 1 0 559.106 5.964 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000073197978 562735527 /nfs/dbraw/zinc/73/55/27/562735527.db2.gz TYLNNGCQIRIJKC-FQEVSTJZSA-N 1 0 579.494 7.087 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](CCc2ccccc2)C1=O ZINC000073198373 562735676 /nfs/dbraw/zinc/73/56/76/562735676.db2.gz LVWYTEIVGDGPOX-VMPREFPWSA-N 1 0 538.688 5.701 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCC[N@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198749 562735812 /nfs/dbraw/zinc/73/58/12/562735812.db2.gz BGWJXKZYWIIMQN-FCHUYYIVSA-N 1 0 544.614 6.139 1 0 KKAFRO C[C@@H](Cc1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1)[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21 ZINC000073199506 562736045 /nfs/dbraw/zinc/73/60/45/562736045.db2.gz WONPWDMMWFWEFC-FYSMJZIKSA-N 1 0 546.520 5.189 1 0 KKAFRO Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2cc(O)c(Cc3cccc(F)c3C)cc2n1-c1ccccc1 ZINC000073200362 562736132 /nfs/dbraw/zinc/73/61/32/562736132.db2.gz OXROOOYWAHBMTP-UHFFFAOYSA-N 1 0 565.664 6.458 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4ccsc4c3=O)CC2)c1 ZINC000073218947 562736147 /nfs/dbraw/zinc/73/61/47/562736147.db2.gz GTDIOGFHGYUTBU-UHFFFAOYSA-N 1 0 521.086 6.007 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Br)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073220142 562736203 /nfs/dbraw/zinc/73/62/03/562736203.db2.gz WBDSGODKRKJLTR-UHFFFAOYSA-N 1 0 559.508 6.054 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073219638 562736225 /nfs/dbraw/zinc/73/62/25/562736225.db2.gz YUOZXCMLTVGRGZ-PBBMNAFMSA-N 1 0 539.145 5.757 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(C)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073221903 562736342 /nfs/dbraw/zinc/73/63/42/562736342.db2.gz VMZAGDDMMQIQNB-KXQRYBCWSA-N 1 0 518.727 5.412 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4cc(F)ccc4c3=O)CC2)c1 ZINC000073223279 562736474 /nfs/dbraw/zinc/73/64/74/562736474.db2.gz HXXDWHPASFYTGU-UHFFFAOYSA-N 1 0 533.047 6.084 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000073224335 562736670 /nfs/dbraw/zinc/73/66/70/562736670.db2.gz DPRFPOZXBILEPD-UHFFFAOYSA-N 1 0 536.463 5.914 1 0 KKAFRO C[n+]1c(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000073275546 562737258 /nfs/dbraw/zinc/73/72/58/562737258.db2.gz CHUQQYRXLDTRNU-UHFFFAOYSA-N 1 0 632.831 11.792 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ccncc23)cc1 ZINC000073275036 562737282 /nfs/dbraw/zinc/73/72/82/562737282.db2.gz HQSUPEKUWPDHCM-HSZRJFAPSA-N 1 0 509.355 6.898 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(C(=O)Nc2cc(F)c(C(N)=O)cc2F)c2cccc(F)c2)CC1 ZINC000082138092 562739186 /nfs/dbraw/zinc/73/91/86/562739186.db2.gz SBSINIRMIDZONS-UHFFFAOYSA-N 1 0 682.725 5.773 1 0 KKAFRO CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082140229 562739351 /nfs/dbraw/zinc/73/93/51/562739351.db2.gz HJYICCQACOCTRF-IIRQTIAKSA-N 1 0 692.820 5.178 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140384 562739455 /nfs/dbraw/zinc/73/94/55/562739455.db2.gz CNXQZTWZUOCTHS-GUQIHRNPSA-N 1 0 714.732 5.069 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140464 562739472 /nfs/dbraw/zinc/73/94/72/562739472.db2.gz NCLGXQKSEWVACV-QBXAYGTCSA-N 1 0 740.820 5.210 1 0 KKAFRO COC(=O)CCCCCN1c2ccccc2C(C)(C)/C1=C\C=C1/CCCC(/C=C/C2=[N+](CCCCCC(=O)OC)c3ccccc3C2(C)C)=C1Cl ZINC000082140682 562739539 /nfs/dbraw/zinc/73/95/39/562739539.db2.gz AYUCEWKIKBWFGK-UHFFFAOYSA-N 1 0 712.395 10.371 1 0 KKAFRO Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H]([N@@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150329 562739791 /nfs/dbraw/zinc/73/97/91/562739791.db2.gz YBSRGQCJZVKVHS-XJFCNFDWSA-N 1 0 625.608 7.090 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000082154922 562740426 /nfs/dbraw/zinc/74/04/26/562740426.db2.gz UQHUKJZLCWQNFZ-SFHVURJKSA-N 1 0 538.743 6.973 1 0 KKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000082155154 562740429 /nfs/dbraw/zinc/74/04/29/562740429.db2.gz DCMKNZRIUVAJCP-UHFFFAOYSA-N 1 0 530.604 5.886 1 0 KKAFRO CC(C)c1c(OC[C@H](O)C[NH+]2CCN(c3ccnc4cc(Cl)ccc43)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082156653 562740755 /nfs/dbraw/zinc/74/07/55/562740755.db2.gz ZFYXFKAYIBXASB-NELYLQANSA-N 1 0 590.252 7.604 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164701 562741194 /nfs/dbraw/zinc/74/11/94/562741194.db2.gz SZDNRBMQYZRUIM-FJQKOURKSA-N 1 0 691.862 5.110 1 0 KKAFRO [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175477 562741651 /nfs/dbraw/zinc/74/16/51/562741651.db2.gz LIMJKIRESKWUFU-XZOQPEGZSA-N 1 0 666.816 7.736 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCCCC3)[nH]nc21 ZINC000084586594 562743397 /nfs/dbraw/zinc/74/33/97/562743397.db2.gz PFEPJDUULLLNTL-YTTGMZPUSA-N 1 0 607.759 6.185 1 0 KKAFRO COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)cc(=O)c2c1 ZINC000084587118 562743446 /nfs/dbraw/zinc/74/34/46/562743446.db2.gz JCCMPIZQHXQKSX-UHFFFAOYSA-N 1 0 624.609 8.498 1 0 KKAFRO COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)oc2c1 ZINC000084596602 562743718 /nfs/dbraw/zinc/74/37/18/562743718.db2.gz DWXXMYCVGFGBCQ-UHFFFAOYSA-N 1 0 620.190 7.853 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2)n1 ZINC000084596935 562743857 /nfs/dbraw/zinc/74/38/57/562743857.db2.gz KJSJGKZRWAJSKH-LOSJGSFVSA-N 1 0 542.074 5.727 1 0 KKAFRO CC(C)[C@H](C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084597194 562743948 /nfs/dbraw/zinc/74/39/48/562743948.db2.gz OHPJYPPMOLTMNO-WJOKGBTCSA-N 1 0 560.739 5.449 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084602943 562744076 /nfs/dbraw/zinc/74/40/76/562744076.db2.gz QBPDHOLARCGXPO-LBPRGKRZSA-N 1 0 504.896 5.520 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCC3)ccn2)cc2c[nH]nc21 ZINC000084603737 562744249 /nfs/dbraw/zinc/74/42/49/562744249.db2.gz ZKPMAYYRIVMNLD-JGCGQSQUSA-N 1 0 590.728 6.004 1 0 KKAFRO CCCNc1nc2ccc(C)cc2c(NCc2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)n1 ZINC000084616868 562744672 /nfs/dbraw/zinc/74/46/72/562744672.db2.gz KKNPBNXOWZRHFB-UHFFFAOYSA-N 1 0 540.687 5.906 1 0 KKAFRO COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc(=O)c2c1 ZINC000084616907 562744707 /nfs/dbraw/zinc/74/47/07/562744707.db2.gz UTKKDZJOGSGJSU-UHFFFAOYSA-N 1 0 555.719 7.191 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084616896 562744713 /nfs/dbraw/zinc/74/47/13/562744713.db2.gz GDYUIHONUQKNKJ-UHFFFAOYSA-N 1 0 545.555 5.101 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C ZINC000084617337 562744822 /nfs/dbraw/zinc/74/48/22/562744822.db2.gz ZRKOLIPSTDIWMQ-DQEYMECFSA-N 1 0 594.675 5.433 1 0 KKAFRO Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000084617725 562744957 /nfs/dbraw/zinc/74/49/57/562744957.db2.gz JEMFIEOMEUZLBA-MHZLTWQESA-N 1 0 643.808 5.075 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)c1cc(=O)c2cc(O)ccc2o1 ZINC000084619161 562745164 /nfs/dbraw/zinc/74/51/64/562745164.db2.gz AERQXLIGVZMSEX-UHFFFAOYSA-N 1 0 610.582 8.195 1 0 KKAFRO O=C(Nc1cccc(Cl)c1Cl)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000084632430 562745544 /nfs/dbraw/zinc/74/55/44/562745544.db2.gz PBUPPCADLYJEBN-LJAQVGFWSA-N 1 0 684.669 5.389 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652402 562746550 /nfs/dbraw/zinc/74/65/50/562746550.db2.gz BVBOTXZHHHFXGV-VVGJDDNMSA-N 1 0 592.743 8.209 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@H]3C[C@@](C)([NH3+])C[C@@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084653061 562746719 /nfs/dbraw/zinc/74/67/19/562746719.db2.gz GMOFRPHSPZPTTF-WENCSYSZSA-N 1 0 531.022 5.869 1 0 KKAFRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084669049 562747848 /nfs/dbraw/zinc/74/78/48/562747848.db2.gz LNFWQYLBJACNJM-HSZRJFAPSA-N 1 0 566.689 6.435 1 0 KKAFRO COc1cc(N2C(=O)N(c3ccc(-c4ccc(-c5cc[nH]n5)cc4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084670081 562748170 /nfs/dbraw/zinc/74/81/70/562748170.db2.gz YRZWSLXIHSDILJ-UHFFFAOYSA-N 1 0 600.683 5.254 1 0 KKAFRO O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000084670629 562748384 /nfs/dbraw/zinc/74/83/84/562748384.db2.gz AVKCVRJFBPWNND-BYXVTNLJSA-N 1 0 514.538 6.142 1 0 KKAFRO COc1c(C(C)(C)C)cc(CN2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671294 562748492 /nfs/dbraw/zinc/74/84/92/562748492.db2.gz WYNCUEJLIAVRPR-NDEPHWFRSA-N 1 0 604.870 9.372 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4cccc(-c5cncnc5)c4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084709048 562750259 /nfs/dbraw/zinc/75/02/59/562750259.db2.gz OLNMTGSIKLTZCY-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO CNC(=O)c1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710042 562750476 /nfs/dbraw/zinc/75/04/76/562750476.db2.gz ZGSCLCGORFILOB-UMSFTDKQSA-N 1 0 585.668 5.070 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733516 562751888 /nfs/dbraw/zinc/75/18/88/562751888.db2.gz OLGGEMHVMHDMBQ-YPSQYFHOSA-N 1 0 699.254 10.552 1 0 KKAFRO C[NH+]1CCC([C@H](CCCCC(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)C2)c2ccccc2)CC1 ZINC000084758470 562752653 /nfs/dbraw/zinc/75/26/53/562752653.db2.gz PEVJKPBZHLDFLW-RBISFHTESA-N 1 0 544.567 6.258 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084759555 562752989 /nfs/dbraw/zinc/75/29/89/562752989.db2.gz NHXNABQBMQIFRX-WMELESEDSA-N 1 0 659.810 5.815 1 0 KKAFRO CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH2+]C(C)C)CC2 ZINC000088261104 562753554 /nfs/dbraw/zinc/75/35/54/562753554.db2.gz SKFAEKQGAGCXQZ-ZEQKJWHPSA-N 1 0 511.559 5.895 1 0 KKAFRO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538400 562754737 /nfs/dbraw/zinc/75/47/37/562754737.db2.gz UAVBFUVYYFZMQC-YSEFVLSOSA-N 1 0 782.751 5.751 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cncc3ccccc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095540411 562755693 /nfs/dbraw/zinc/75/56/93/562755693.db2.gz UHGXDLJQSZOLBC-QRFXEOMOSA-N 1 0 765.945 5.110 1 0 KKAFRO O=C(C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000095540420 562755733 /nfs/dbraw/zinc/75/57/33/562755733.db2.gz CYXPUCDOLFKSHG-LZDAPGGYSA-N 1 0 785.908 6.681 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCc1cccc(C(F)(F)F)c1)(C(=O)OCCc1cccc(C(F)(F)F)c1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000095543239 562757148 /nfs/dbraw/zinc/75/71/48/562757148.db2.gz HCFFAFGMNUZJPA-IPBJYNAHSA-N 1 0 766.131 7.671 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 562757612 /nfs/dbraw/zinc/75/76/12/562757612.db2.gz BZEWCHJVLHXDJE-PGUFJCEWSA-N 1 0 628.648 8.243 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1cccc2ccccc21)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000095546119 562758326 /nfs/dbraw/zinc/75/83/26/562758326.db2.gz MHHKZFUWGOGERO-IVBRNKFMSA-N 1 0 785.986 5.795 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095548768 562759453 /nfs/dbraw/zinc/75/94/53/562759453.db2.gz PJGYNGUMVCKFGH-UHFFFAOYSA-N 1 0 776.887 6.194 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548850 562759552 /nfs/dbraw/zinc/75/95/52/562759552.db2.gz OWLIDSNTELINGK-HZGOXUOESA-N 1 0 744.827 6.175 1 0 KKAFRO O=C([O-])[C@H](Cc1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095574922 562770156 /nfs/dbraw/zinc/77/01/56/562770156.db2.gz UJDYUOWUTALBPP-VWLOTQADSA-N 1 0 509.449 5.384 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000095551956 562760464 /nfs/dbraw/zinc/76/04/64/562760464.db2.gz PMMXPNHCATUUAA-UHFFFAOYSA-N 1 0 760.873 8.535 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCCCCCO[N+](=O)[O-] ZINC000095555499 562761555 /nfs/dbraw/zinc/76/15/55/562761555.db2.gz QQFGVNJQUPSBQA-XTQSDGFTSA-N 1 0 646.829 7.852 1 0 KKAFRO CN(CC[NH+](C)C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000095557177 562762060 /nfs/dbraw/zinc/76/20/60/562762060.db2.gz WXGCKASPTGCGFN-NRFANRHFSA-N 1 0 531.311 5.079 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000095557303 562762083 /nfs/dbraw/zinc/76/20/83/562762083.db2.gz RFZWBVODGHIKRI-OMAKSLIJSA-N 1 0 655.257 6.698 1 0 KKAFRO CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)NC1C[NH2+]C1)C4(C)C)C(C)(C)O ZINC000095558544 562762461 /nfs/dbraw/zinc/76/24/61/562762461.db2.gz BBVJBTFZSHGTKW-KOADAMRUSA-N 1 0 616.884 5.042 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC[NH+](C(C)(C)C)CC4)cn3)cc2)no1 ZINC000095559914 562762905 /nfs/dbraw/zinc/76/29/05/562762905.db2.gz ULCJFJXVIGNWMX-UHFFFAOYSA-N 1 0 534.661 5.905 1 0 KKAFRO CCCCc1nc(-c2ccc(OCCC[NH+](CC)CC)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095561897 562763507 /nfs/dbraw/zinc/76/35/07/562763507.db2.gz CWMLSIAUPBIMNA-UHFFFAOYSA-N 1 0 549.180 9.376 1 0 KKAFRO Cc1ccc2oc(-c3ccc(OCCOCC[NH2+]CCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1 ZINC000095562509 562763700 /nfs/dbraw/zinc/76/37/00/562763700.db2.gz YNYHUPWTTQPANA-UHFFFAOYSA-N 1 0 661.751 6.931 1 0 KKAFRO CC[NH+]1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1 ZINC000095563250 562763915 /nfs/dbraw/zinc/76/39/15/562763915.db2.gz BAEPKCSJXVFDDR-UHFFFAOYSA-N 1 0 506.607 5.127 1 0 KKAFRO CC(C)(C)OC(=O)N1CC[NH+](CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000095564382 562764309 /nfs/dbraw/zinc/76/43/09/562764309.db2.gz QETDDALCXSXXLT-UHFFFAOYSA-N 1 0 756.168 8.631 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095564919 562764512 /nfs/dbraw/zinc/76/45/12/562764512.db2.gz AGQRDMGTSVKJPI-CZBREUMFSA-N 1 0 599.654 5.025 1 0 KKAFRO Cc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095566132 562764780 /nfs/dbraw/zinc/76/47/80/562764780.db2.gz FUPMKTCKDJNZPE-ACXCVDCASA-N 1 0 561.604 5.021 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566413 562764946 /nfs/dbraw/zinc/76/49/46/562764946.db2.gz FKBDGSUSUALVGO-BVTPYHFJSA-N 1 0 674.842 6.433 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566476 562764994 /nfs/dbraw/zinc/76/49/94/562764994.db2.gz YLCYRDPZGWCEPF-RDXDNIQESA-N 1 0 631.770 5.646 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566776 562765226 /nfs/dbraw/zinc/76/52/26/562765226.db2.gz PEUKOTPXCYQHOA-GMERYBDXSA-N 1 0 690.848 7.657 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566790 562765265 /nfs/dbraw/zinc/76/52/65/562765265.db2.gz YDGJQJIVZCLABT-ABGITXETSA-N 1 0 641.834 5.744 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566867 562765305 /nfs/dbraw/zinc/76/53/05/562765305.db2.gz JQXCVRFSCSGTFT-WOGZVKCMSA-N 1 0 634.626 5.384 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567134 562765562 /nfs/dbraw/zinc/76/55/62/562765562.db2.gz OFYJPRSBIVOGOZ-WURXVLGASA-N 1 0 666.663 6.649 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567220 562765570 /nfs/dbraw/zinc/76/55/70/562765570.db2.gz OYNIYJJSCYRIFI-UXUDLTKPSA-N 1 0 666.775 6.133 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095567333 562765699 /nfs/dbraw/zinc/76/56/99/562765699.db2.gz AHIVZLPYNOMDAU-GJCZEXATSA-N 1 0 608.739 6.475 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095567474 562765878 /nfs/dbraw/zinc/76/58/78/562765878.db2.gz YDGJQJIVZCLABT-KAUPTSPVSA-N 1 0 641.834 5.744 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095567484 562765881 /nfs/dbraw/zinc/76/58/81/562765881.db2.gz QLYAZMSBNLAUET-FXZPAHAQSA-N 1 0 692.842 5.735 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567601 562765939 /nfs/dbraw/zinc/76/59/39/562765939.db2.gz SYWCYXHAIYXQLV-BCDQWZCSSA-N 1 0 640.124 5.512 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O ZINC000095568133 562766316 /nfs/dbraw/zinc/76/63/16/562766316.db2.gz UEFSEUYLSLNFHQ-GUARRIROSA-N 1 0 669.783 5.122 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568142 562766328 /nfs/dbraw/zinc/76/63/28/562766328.db2.gz WZRJGOIAGUHCGN-ILLIAVPXSA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095568346 562766475 /nfs/dbraw/zinc/76/64/75/562766475.db2.gz UUCMFHNJLLHFQV-RLYJWURVSA-N 1 0 598.788 6.160 1 0 KKAFRO Cc1cc(N2CCN([C@H](c3nnnn3-c3c(C)cccc3C)c3ccnc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000095568540 562766760 /nfs/dbraw/zinc/76/67/60/562766760.db2.gz LFSZFZUZMKSNCB-YTTGMZPUSA-N 1 0 540.675 5.596 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569071 562767123 /nfs/dbraw/zinc/76/71/23/562767123.db2.gz GQWDZONLPIYMSR-HSHANODTSA-N 1 0 672.826 7.557 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569260 562767262 /nfs/dbraw/zinc/76/72/62/562767262.db2.gz GQPLODGYDYCVNT-JAOJVIEDSA-N 1 0 650.625 5.084 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095569206 562767276 /nfs/dbraw/zinc/76/72/76/562767276.db2.gz IQSVNIDGIMJPQN-KTYLLXISSA-N 1 0 592.740 5.282 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569224 562767289 /nfs/dbraw/zinc/76/72/89/562767289.db2.gz JCTQRGBOQISLQK-BBACVFHCSA-N 1 0 664.042 6.626 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095569369 562767411 /nfs/dbraw/zinc/76/74/11/562767411.db2.gz AMEWTOKWBIKYEC-UXVOWUFOSA-N 1 0 664.807 5.446 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095569521 562767472 /nfs/dbraw/zinc/76/74/72/562767472.db2.gz UFTUBZJHXRESLK-WEVAMHJFSA-N 1 0 724.723 6.861 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569772 562767667 /nfs/dbraw/zinc/76/76/67/562767667.db2.gz YUKCNNACWFASQX-NCXSOUSFSA-N 1 0 628.648 5.430 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767823 /nfs/dbraw/zinc/76/78/23/562767823.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N 1 0 620.599 5.075 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000095570689 562768383 /nfs/dbraw/zinc/76/83/83/562768383.db2.gz IYUYFFMDIZMYQH-WNQXLSPZSA-N 1 0 619.989 6.227 3 0 KKAFRO 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 ZINC000095570848 562768569 /nfs/dbraw/zinc/76/85/69/562768569.db2.gz NGQWRAJVXVPGQM-CBUPUIKESA-N 1 0 668.770 5.656 1 0 KKAFRO 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 ZINC000095570989 562768668 /nfs/dbraw/zinc/76/86/68/562768668.db2.gz LZRMYYQDLQFCEK-MOMKMGCSSA-N 1 0 728.809 7.006 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095571203 562768830 /nfs/dbraw/zinc/76/88/30/562768830.db2.gz AEAUQEWSZQQTML-MKGJDZFWSA-N 1 0 552.675 5.288 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571509 562769030 /nfs/dbraw/zinc/76/90/30/562769030.db2.gz URAPLHCKRADHID-OUDXUNEISA-N 1 0 626.701 5.920 1 0 KKAFRO 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 ZINC000095571554 562769100 /nfs/dbraw/zinc/76/91/00/562769100.db2.gz RKFPRZNLXVJUNG-PDTNBVABSA-N 1 0 627.807 5.815 1 0 KKAFRO C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CC[N@@H+]1Cc1cccc(-c2ccccc2Cl)c1 ZINC000095571758 562769184 /nfs/dbraw/zinc/76/91/84/562769184.db2.gz ZNJPYGAZHWKTMZ-AFMDSPMNSA-N 1 0 500.039 5.224 1 0 KKAFRO C[N@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc2)cc1)Cc1ccccc1 ZINC000095572570 562769474 /nfs/dbraw/zinc/76/94/74/562769474.db2.gz KNDNTYBIRAVLQO-UHFFFAOYSA-N 1 0 660.855 8.503 1 0 KKAFRO CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574641 562770074 /nfs/dbraw/zinc/77/00/74/562770074.db2.gz IUSARDYWEPUTPN-WNQFUHBBSA-N 1 0 592.806 5.253 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2ccc3[nH]ccc3c2)nn1 ZINC000095575757 562770416 /nfs/dbraw/zinc/77/04/16/562770416.db2.gz SPWAAJJVMPKJIU-UHFFFAOYSA-N 1 0 573.623 5.743 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)Cc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577099 562770819 /nfs/dbraw/zinc/77/08/19/562770819.db2.gz JUNNRNPPDPOZCZ-WDJKZLNSSA-N 1 0 565.069 5.820 1 0 KKAFRO CC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577022 562770851 /nfs/dbraw/zinc/77/08/51/562770851.db2.gz CATNTJQWQKGLJS-GMQQYTKMSA-N 1 0 548.753 5.238 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC/C=C/c1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577516 562770981 /nfs/dbraw/zinc/77/09/81/562770981.db2.gz SHNLAVNKNFYRDC-YKYMNFOOSA-N 1 0 563.097 6.764 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000095577555 562771018 /nfs/dbraw/zinc/77/10/18/562771018.db2.gz LQJCLEMYZXPACG-UHFFFAOYSA-N 1 0 517.073 7.149 1 0 KKAFRO COCC(=O)N[C@@H](Cc1ccc(F)c(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578730 562771360 /nfs/dbraw/zinc/77/13/60/562771360.db2.gz XSFWBOOLWAKDFI-GMQQYTKMSA-N 1 0 596.769 5.004 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5cccc(Cl)c5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095579313 562771501 /nfs/dbraw/zinc/77/15/01/562771501.db2.gz RGNAJTYEXZZJBK-UHFFFAOYSA-N 1 0 503.054 5.834 1 0 KKAFRO COCC(=O)N[C@@H](Cc1cc(F)cc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095579766 562771670 /nfs/dbraw/zinc/77/16/70/562771670.db2.gz JBBUENLSUWMDMI-GMQQYTKMSA-N 1 0 596.769 5.004 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]ccc3c2)nn1 ZINC000095579745 562771676 /nfs/dbraw/zinc/77/16/76/562771676.db2.gz JGXRYYVIMAYABB-UHFFFAOYSA-N 1 0 574.611 5.138 1 0 KKAFRO COc1ccc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)cc1-c1cccc(O)c1 ZINC000095585670 562773645 /nfs/dbraw/zinc/77/36/45/562773645.db2.gz BIBVUVAMBMYCJF-UHFFFAOYSA-N 1 0 514.578 5.208 1 0 KKAFRO CCCCc1c(Br)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095589778 562775072 /nfs/dbraw/zinc/77/50/72/562775072.db2.gz OGRLEEFNZZNOCH-UHFFFAOYSA-N 1 0 672.615 6.672 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(CCCCC)c(N)[nH+]3)nn2)cc1 ZINC000095590634 562775313 /nfs/dbraw/zinc/77/53/13/562775313.db2.gz JWMOUFKXGJLWCF-UHFFFAOYSA-N 1 0 507.727 5.365 1 0 KKAFRO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1)COc1c(I)cc(I)c2cccnc21 ZINC000095594924 562776572 /nfs/dbraw/zinc/77/65/72/562776572.db2.gz XESVDBWKQYGELW-CQSZACIVSA-N 1 0 606.673 6.292 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CCC[NH2+]C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596682 562777100 /nfs/dbraw/zinc/77/71/00/562777100.db2.gz ICRRWZRNMZYMSI-OAQYLSRUSA-N 1 0 518.610 5.166 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598812 562777548 /nfs/dbraw/zinc/77/75/48/562777548.db2.gz UPYOMULBLKVBBL-OAGJSAJJSA-N 1 0 622.851 6.638 1 0 KKAFRO 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 ZINC000095598893 562777622 /nfs/dbraw/zinc/77/76/22/562777622.db2.gz ZBBNPLMVFVREHD-PQKZQXQFSA-N 1 0 719.867 6.742 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599258 562777919 /nfs/dbraw/zinc/77/79/19/562777919.db2.gz KTOLAWMRFLMANX-JCLAXVLHSA-N 1 0 683.812 6.814 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095599305 562777922 /nfs/dbraw/zinc/77/79/22/562777922.db2.gz QMCFBRPLMVFDBX-DLVGFNCXSA-N 1 0 740.285 7.087 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095599792 562778330 /nfs/dbraw/zinc/77/83/30/562778330.db2.gz UQRVVYXDOOLUAO-DLVGFNCXSA-N 1 0 723.830 6.573 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095599920 562778456 /nfs/dbraw/zinc/77/84/56/562778456.db2.gz JUEHVKXRGUAEIX-ZXRNXFTDSA-N 1 0 753.690 8.584 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095600064 562778568 /nfs/dbraw/zinc/77/85/68/562778568.db2.gz ORTMWWQHMCADOR-ZXRNXFTDSA-N 1 0 741.178 7.375 1 0 KKAFRO COc1ccc(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 ZINC000095600353 562778808 /nfs/dbraw/zinc/77/88/08/562778808.db2.gz LFZLAWVTNRSJHJ-MGXQNUJRSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095600466 562778917 /nfs/dbraw/zinc/77/89/17/562778917.db2.gz IPHPJQSEBAVJJG-DVHCVUMVSA-N 1 0 591.580 5.800 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600605 562779030 /nfs/dbraw/zinc/77/90/30/562779030.db2.gz LMYACBAJSFEPOG-KIAQLKRMSA-N 1 0 617.791 5.653 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600660 562779119 /nfs/dbraw/zinc/77/91/19/562779119.db2.gz AGQRDMGTSVKJPI-BALWLHIASA-N 1 0 599.654 5.025 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600803 562779231 /nfs/dbraw/zinc/77/92/31/562779231.db2.gz ZKPAWGOFKUDAFA-PHAQOQMTSA-N 1 0 685.788 6.672 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095600974 562779396 /nfs/dbraw/zinc/77/93/96/562779396.db2.gz JUEHVKXRGUAEIX-NSNSFMLXSA-N 1 0 753.690 8.584 1 0 KKAFRO COc1cc2c(c(OCC[NH+]3CCCCC3)c1)[C@H](c1c(OC)ccc3ccccc31)[C@@H](c1ccccc1)C2(C)C ZINC000095601900 562779775 /nfs/dbraw/zinc/77/97/75/562779775.db2.gz DTXLTPYEPRFQDN-OIDHKYIRSA-N 1 0 535.728 7.929 1 0 KKAFRO C[NH+](C)CCCC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)c1 ZINC000095602148 562779949 /nfs/dbraw/zinc/77/99/49/562779949.db2.gz KPTUKIAZZFDEOC-AREMUKBSSA-N 1 0 535.648 5.983 1 0 in-vitro KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095602327 562779970 /nfs/dbraw/zinc/77/99/70/562779970.db2.gz UQRVVYXDOOLUAO-GJWZSCNASA-N 1 0 723.830 6.573 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095602345 562780068 /nfs/dbraw/zinc/78/00/68/562780068.db2.gz GHZMXVOCHVGOQG-NSTRGFCRSA-N 1 0 635.850 5.529 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095602656 562780157 /nfs/dbraw/zinc/78/01/57/562780157.db2.gz NPEDMRUCBXVYJC-JQASONJCSA-N 1 0 660.737 7.369 3 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095603343 562780441 /nfs/dbraw/zinc/78/04/41/562780441.db2.gz YKADZYQVAJPHMU-ZYGBHLQISA-N 1 0 657.918 6.103 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095603375 562780514 /nfs/dbraw/zinc/78/05/14/562780514.db2.gz ISGWUMSRLISZDA-JALBGMRZSA-N 1 0 720.760 7.030 1 0 KKAFRO 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 ZINC000095604367 562780978 /nfs/dbraw/zinc/78/09/78/562780978.db2.gz ZBBNPLMVFVREHD-OCJGHMAWSA-N 1 0 719.867 6.742 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095604538 562781043 /nfs/dbraw/zinc/78/10/43/562781043.db2.gz CMLTYIJXOZVOLL-RYOMNGFGSA-N 1 0 612.815 6.089 1 0 KKAFRO 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 ZINC000095604846 562781235 /nfs/dbraw/zinc/78/12/35/562781235.db2.gz UIKXZKCHSBRXDR-FBTROWELSA-N 1 0 705.840 6.434 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605214 562781444 /nfs/dbraw/zinc/78/14/44/562781444.db2.gz OMMOJELOODPTJH-BWLKTWDLSA-N 1 0 661.881 5.934 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095605420 562781536 /nfs/dbraw/zinc/78/15/36/562781536.db2.gz UPYOMULBLKVBBL-JPWDMULGSA-N 1 0 622.851 6.638 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095605674 562781659 /nfs/dbraw/zinc/78/16/59/562781659.db2.gz KTOLAWMRFLMANX-GBJJYOARSA-N 1 0 683.812 6.814 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605719 562781686 /nfs/dbraw/zinc/78/16/86/562781686.db2.gz PIPSXTOHKBCCEO-MJQNYGCISA-N 1 0 702.790 7.416 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606420 562782079 /nfs/dbraw/zinc/78/20/79/562782079.db2.gz IFRLDTPFDARKBP-OKRUAUFTSA-N 1 0 604.811 6.426 1 0 KKAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCCNC(N)=[NH2+])CC5)CCCC4)c3Cl)c2n1 ZINC000095606987 562782555 /nfs/dbraw/zinc/78/25/55/562782555.db2.gz BQIHVDDBUCQADT-UHFFFAOYSA-N 1 0 746.762 5.043 1 0 KKAFRO O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000095607583 562782860 /nfs/dbraw/zinc/78/28/60/562782860.db2.gz AACVFPBDJIZOLP-CCGNRUJASA-N 1 0 779.860 6.301 1 0 KKAFRO CSCC[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095610073 562784188 /nfs/dbraw/zinc/78/41/88/562784188.db2.gz IBZUVHOHXHJQME-AMAPPZPBSA-N 1 0 821.822 8.158 1 0 KKAFRO [NH3+]C[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095610122 562784208 /nfs/dbraw/zinc/78/42/08/562784208.db2.gz IMODMDGXTZAZLS-MPQUPPDSSA-N 1 0 776.716 6.363 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)[C@@H]3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 ZINC000095613110 562786099 /nfs/dbraw/zinc/78/60/99/562786099.db2.gz RLNPOKFCWGHIDM-AGKISISNSA-N 1 0 738.798 8.556 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(Cl)c1Cl)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095613614 562786392 /nfs/dbraw/zinc/78/63/92/562786392.db2.gz VYVMLRGKFMVXOT-KPTTYIGJSA-N 1 0 772.774 6.722 1 0 KKAFRO CC(C)N1C[C@@H](C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665587 562788183 /nfs/dbraw/zinc/78/81/83/562788183.db2.gz DDRAIKDBHFHCOA-AUSIDOKSSA-N 1 0 507.034 5.292 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000095670062 562788217 /nfs/dbraw/zinc/78/82/17/562788217.db2.gz CZVLXTAHCSHXFS-DHLKQENFSA-N 1 0 527.505 6.606 1 0 KKAFRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680090 562788369 /nfs/dbraw/zinc/78/83/69/562788369.db2.gz AYFIOZIDKGBGDF-SYZUXVNWSA-N 1 0 602.757 5.563 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095699221 562788562 /nfs/dbraw/zinc/78/85/62/562788562.db2.gz ZBSMIXMEGWTGMY-BCIXQDHQSA-N 1 0 583.773 6.225 1 0 KKAFRO 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 ZINC000095773910 562788995 /nfs/dbraw/zinc/78/89/95/562788995.db2.gz LZRMYYQDLQFCEK-BEOVJFKUSA-N 1 0 728.809 7.006 1 0 KKAFRO 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(C)(=O)=O)cc2C1=O ZINC000095783197 562789071 /nfs/dbraw/zinc/78/90/71/562789071.db2.gz ORGCMGRUUGCKJF-NXRFZHLESA-N 1 0 643.769 5.004 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095820363 562789240 /nfs/dbraw/zinc/78/92/40/562789240.db2.gz BRLOPYDCQRYQOS-WLCCTRHUSA-N 1 0 636.255 5.278 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095833922 562789357 /nfs/dbraw/zinc/78/93/57/562789357.db2.gz CHJXKWAEWBFEIT-DGIFUFQNSA-N 1 0 628.751 5.143 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccc(-c5nccs5)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095854036 562789561 /nfs/dbraw/zinc/78/95/61/562789561.db2.gz NPRJPXXRXRRIKZ-HFZPWKHCSA-N 1 0 614.768 5.423 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095854958 562789665 /nfs/dbraw/zinc/78/96/65/562789665.db2.gz ZBSMIXMEGWTGMY-UVNCRYBCSA-N 1 0 583.773 6.225 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872125 562789974 /nfs/dbraw/zinc/78/99/74/562789974.db2.gz SWKZJGSDPIEMIQ-WTYVLRPYSA-N 1 0 579.532 6.016 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872384 562790081 /nfs/dbraw/zinc/79/00/81/562790081.db2.gz XDKJWJXCXRUBMR-ZOYWYXQUSA-N 1 0 578.713 6.506 3 0 KKAFRO Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc2cc1NC(=O)NC(C)(C)C ZINC000096167770 562790541 /nfs/dbraw/zinc/79/05/41/562790541.db2.gz KJFXZSPEQVXUCR-UHFFFAOYSA-N 1 0 602.765 5.038 1 0 KKAFRO COc1ccc(C(F)(F)F)cc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@@H+](CCSC)CC4)nn21 ZINC000096169745 562790857 /nfs/dbraw/zinc/79/08/57/562790857.db2.gz OEDFDVPAQDUCBQ-UHFFFAOYSA-N 1 0 527.616 5.931 1 0 KKAFRO COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CC[NH+](CC(=O)N(C)C)CC4)cc3)nc12 ZINC000096169844 562790918 /nfs/dbraw/zinc/79/09/18/562790918.db2.gz VTZQFUIZPLDNRA-UHFFFAOYSA-N 1 0 534.611 5.354 1 0 KKAFRO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174108 562791690 /nfs/dbraw/zinc/79/16/90/562791690.db2.gz WXZMWRDFSOFCHR-UHFFFAOYSA-N 1 0 577.092 6.493 1 0 KKAFRO c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174121 562791692 /nfs/dbraw/zinc/79/16/92/562791692.db2.gz PHHDDLBCGRGYOL-RUZDIDTESA-N 1 0 500.606 6.097 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CCCCC3)n1)C(=O)N(C1CCN(C(=O)C[NH+](C)C)CC1)C2 ZINC000096177892 562792407 /nfs/dbraw/zinc/79/24/07/562792407.db2.gz WOFWLHOOEQSCKY-UHFFFAOYSA-N 1 0 724.328 6.019 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000096177895 562792455 /nfs/dbraw/zinc/79/24/55/562792455.db2.gz OXHQSLVSULVZQB-LJAQVGFWSA-N 1 0 710.301 5.628 1 0 KKAFRO C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269478 562792983 /nfs/dbraw/zinc/79/29/83/562792983.db2.gz NEQBDGIZCFQZDX-MHZLTWQESA-N 1 0 656.799 8.179 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1cnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269793 562793047 /nfs/dbraw/zinc/79/30/47/562793047.db2.gz WNTOXLYCXHCPAW-UHFFFAOYSA-N 1 0 732.892 7.916 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269799 562793069 /nfs/dbraw/zinc/79/30/69/562793069.db2.gz SLZVNTJKLDVFOB-UHFFFAOYSA-N 1 0 733.880 7.311 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000096269937 562793103 /nfs/dbraw/zinc/79/31/03/562793103.db2.gz MDNZIGDKCDGDNH-UHFFFAOYSA-N 1 0 512.629 7.683 1 0 KKAFRO C[C@@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270053 562793151 /nfs/dbraw/zinc/79/31/51/562793151.db2.gz VPSJQWYDLMDCOQ-HHHXNRCGSA-N 1 0 656.799 8.179 1 0 KKAFRO C[C@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270058 562793153 /nfs/dbraw/zinc/79/31/53/562793153.db2.gz PDRXQFWLPWJYCL-QHCPKHFHSA-N 1 0 600.691 6.619 1 0 KKAFRO C[C@@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270071 562793167 /nfs/dbraw/zinc/79/31/67/562793167.db2.gz IEFWFBOBLBKOIT-HSZRJFAPSA-N 1 0 600.691 6.619 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCC[NH+]5CCCC5)cc4)n[nH]3)cc2)no1 ZINC000096270660 562793315 /nfs/dbraw/zinc/79/33/15/562793315.db2.gz GUEYLTKEGFGDCH-UHFFFAOYSA-N 1 0 557.655 5.733 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1F ZINC000096270749 562793338 /nfs/dbraw/zinc/79/33/38/562793338.db2.gz XUQSXACLGZWVAU-UHFFFAOYSA-N 1 0 755.769 8.646 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271287 562793782 /nfs/dbraw/zinc/79/37/82/562793782.db2.gz KQNPMYBXIHYXNR-UHFFFAOYSA-N 1 0 682.353 9.596 1 0 KKAFRO C[NH+](C)CC(C)(C)COc1cccc(-c2sc(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc2C(F)(F)F)c1 ZINC000096272799 562794279 /nfs/dbraw/zinc/79/42/79/562794279.db2.gz FZVJPIZZUWALPO-UHFFFAOYSA-N 1 0 598.735 9.024 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](CC(N)=O)CC1 ZINC000096272781 562794282 /nfs/dbraw/zinc/79/42/82/562794282.db2.gz LMBKLNFIUZRASR-UHFFFAOYSA-N 1 0 615.200 5.560 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5-c5cccc(N)c5)cc4)c3c2)CC1 ZINC000096273047 562794387 /nfs/dbraw/zinc/79/43/87/562794387.db2.gz SIXVDPYFTBZLMQ-UHFFFAOYSA-N 1 0 661.815 5.659 1 0 in-vitro KKAFRO CCC[C@@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096273082 562794409 /nfs/dbraw/zinc/79/44/09/562794409.db2.gz LAXINFVDHAMRQJ-HXUWFJFHSA-N 1 0 518.420 6.564 1 0 KKAFRO C[NH+](C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(O)c(Br)c3)n2)cc1Br ZINC000096921941 562801545 /nfs/dbraw/zinc/80/15/45/562801545.db2.gz HDBDOGUHEIXQGP-UHFFFAOYSA-N 1 0 616.148 5.351 1 0 KKAFRO C[NH+](C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C(F)(F)F)c2n1-c1ccc(F)cc1 ZINC000096282441 562794662 /nfs/dbraw/zinc/79/46/62/562794662.db2.gz NAUIRPNTTXLCCK-UHFFFAOYSA-N 1 0 558.428 7.361 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000096284306 562795081 /nfs/dbraw/zinc/79/50/81/562795081.db2.gz AENKINKFHQNOIC-PFATUAPWSA-N 1 0 591.434 7.575 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096285105 562795403 /nfs/dbraw/zinc/79/54/03/562795403.db2.gz SNYFYZCQCLHZGW-UHFFFAOYSA-N 1 0 592.671 7.354 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096285102 562795439 /nfs/dbraw/zinc/79/54/39/562795439.db2.gz YXNVRITWXLFAIM-UHFFFAOYSA-N 1 0 640.691 6.040 1 0 KKAFRO Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285349 562795521 /nfs/dbraw/zinc/79/55/21/562795521.db2.gz GLPOBUHYQIRJAI-OUTSHDOLSA-N 1 0 589.184 5.707 1 0 KKAFRO CN(C)C(=O)c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 ZINC000096285353 562795547 /nfs/dbraw/zinc/79/55/47/562795547.db2.gz FYFQDKSOZLVEKB-UMSFTDKQSA-N 1 0 580.773 6.957 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 ZINC000096285367 562795567 /nfs/dbraw/zinc/79/55/67/562795567.db2.gz VLCNIWNAFVRZRX-FIPFOOKPSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(F)c2)CC1 ZINC000096285459 562795726 /nfs/dbraw/zinc/79/57/26/562795726.db2.gz WFKZOGGTBBNGQC-KMRXNPHXSA-N 1 0 550.723 5.017 1 0 KKAFRO C[C@@H](Sc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285928 562795943 /nfs/dbraw/zinc/79/59/43/562795943.db2.gz ALLJSFCMQLLPLN-GOSISDBHSA-N 1 0 573.565 7.330 1 0 KKAFRO CCC(CC)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302067 562796279 /nfs/dbraw/zinc/79/62/79/562796279.db2.gz VGAHBVMCYNCLAQ-ABAVYFCKSA-N 1 0 574.785 6.417 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc([C@H](C)O)c2)c1 ZINC000096307595 562796378 /nfs/dbraw/zinc/79/63/78/562796378.db2.gz IXJVBGCZQGVESS-GNIPUNEXSA-N 1 0 649.710 5.149 1 0 KKAFRO Cc1ccc([C@@H](O)C[NH2+]CCc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1NS(C)(=O)=O ZINC000096318753 562796621 /nfs/dbraw/zinc/79/66/21/562796621.db2.gz ORADEIWFZAHOJV-SANMLTNESA-N 1 0 507.681 5.023 1 0 KKAFRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CCN2C)cc1 ZINC000096901084 562796999 /nfs/dbraw/zinc/79/69/99/562796999.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 1 0 638.761 6.448 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](CSCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000096903428 562797967 /nfs/dbraw/zinc/79/79/67/562797967.db2.gz AIQHFECKTSSXEZ-MHZLTWQESA-N 1 0 618.652 5.725 1 0 KKAFRO C[NH+]1CCN(CCNC(=O)c2cccc(-n3ncc4cc(Nc5c(Cl)cccc5Cl)ccc43)c2)CC1 ZINC000096906424 562798755 /nfs/dbraw/zinc/79/87/55/562798755.db2.gz SFBKURBOWXSUBT-UHFFFAOYSA-N 1 0 523.468 5.053 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1ccccn1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907053 562798978 /nfs/dbraw/zinc/79/89/78/562798978.db2.gz ZTNLTKMTNYQFBF-VDPSFHEQSA-N 1 0 526.806 5.719 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907739 562799214 /nfs/dbraw/zinc/79/92/14/562799214.db2.gz DUMWFMFWWQGRCL-SBVPHTNJSA-N 1 0 664.644 7.035 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908966 562799494 /nfs/dbraw/zinc/79/94/94/562799494.db2.gz RTTHXVVTHMASBW-UHFFFAOYSA-N 1 0 596.757 7.034 1 0 KKAFRO COc1cc(C(=O)N[C@H](C[N@@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cccc(C)c1 ZINC000096910126 562799905 /nfs/dbraw/zinc/79/99/05/562799905.db2.gz QGXLLVWCXBDIQN-NEKDWFFYSA-N 1 0 517.670 5.467 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000096921424 562801421 /nfs/dbraw/zinc/80/14/21/562801421.db2.gz IYBGKVVLPOWJSK-XUTHUYCTSA-N 1 0 747.912 5.133 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccc(F)cc32)cc1F ZINC000096927171 562802595 /nfs/dbraw/zinc/80/25/95/562802595.db2.gz WTRKXSWNJPFRGC-UHFFFAOYSA-N 1 0 743.638 10.343 1 0 KKAFRO CCCOc1ccc(-c2cc(OCC[NH+](Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000096927233 562802629 /nfs/dbraw/zinc/80/26/29/562802629.db2.gz PFJAGQIOSOTJBQ-UHFFFAOYSA-N 1 0 502.658 7.772 1 0 KKAFRO COc1cccc(-c2cc(=O)oc3cc(OCCCC[NH+]4CCC(c5noc6cc(F)ccc65)CC4)ccc32)c1 ZINC000096929477 562803067 /nfs/dbraw/zinc/80/30/67/562803067.db2.gz NSSKEUGUCIYDNB-UHFFFAOYSA-N 1 0 542.607 6.788 1 0 KKAFRO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)c2)c(OC)c1 ZINC000096932307 562803355 /nfs/dbraw/zinc/80/33/55/562803355.db2.gz BSCKUVYZZOAMFB-UHFFFAOYSA-N 1 0 681.765 6.523 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096932294 562803359 /nfs/dbraw/zinc/80/33/59/562803359.db2.gz GKGVANSSTPGTDK-UHFFFAOYSA-N 1 0 620.725 8.052 1 0 KKAFRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096937799 562804336 /nfs/dbraw/zinc/80/43/36/562804336.db2.gz UYSHSAPSTPDDFM-SEIBCYHCSA-N 1 0 542.564 6.821 1 0 KKAFRO Fc1ccc2nc(N[C@@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)sc2c1 ZINC000096938110 562804429 /nfs/dbraw/zinc/80/44/29/562804429.db2.gz ATWPFZQKUBRXJP-SSEXGKCCSA-N 1 0 531.697 7.442 1 0 KKAFRO CC[NH+](CC)CCC(=O)Nc1ccc(/C=C/c2nc3cc(N4CCN(C)CC4)c(F)cc3c(=O)n2-c2ccccc2)cc1 ZINC000096938704 562804556 /nfs/dbraw/zinc/80/45/56/562804556.db2.gz QTFKOTGCRWPJTR-DTQAZKPQSA-N 1 0 582.724 5.117 1 0 KKAFRO CC(C)(C)C(=O)OCOC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938682 562804558 /nfs/dbraw/zinc/80/45/58/562804558.db2.gz LWNZGJRNVXPZBX-UHFFFAOYSA-N 1 0 638.761 6.863 1 0 KKAFRO CC1CC[NH+](CCOc2ccc(NCc3cncn3Cc3ccc(-c4ccccn4)cc3N)cc2-c2ccccc2)CC1 ZINC000096940189 562804841 /nfs/dbraw/zinc/80/48/41/562804841.db2.gz MZUXDLSARWRXGO-UHFFFAOYSA-N 1 0 572.757 6.965 1 0 KKAFRO CCCCc1[nH+]c2cc(NCc3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000098082886 562805345 /nfs/dbraw/zinc/80/53/45/562805345.db2.gz IKMRAZVDXOOWDM-UHFFFAOYSA-N 1 0 513.649 6.886 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1C(=O)OC ZINC000100028548 562806173 /nfs/dbraw/zinc/80/61/73/562806173.db2.gz CDXJFHZNFPQEPV-LLDNVPTHSA-N 1 0 505.574 6.385 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000100037109 562806279 /nfs/dbraw/zinc/80/62/79/562806279.db2.gz LSXRJFMSLRBEHB-KOUYFHPOSA-N 1 0 579.491 7.091 1 0 KKAFRO CC(=O)N1CCc2c(nc(C(C)C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076328 562806585 /nfs/dbraw/zinc/80/65/85/562806585.db2.gz WTMOGTVWLHRPPW-CSSKISATSA-N 1 0 582.793 6.516 1 0 KKAFRO COC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076194 562806611 /nfs/dbraw/zinc/80/66/11/562806611.db2.gz ZNLUHMXGJFCLOK-PKQPGRETSA-N 1 0 570.738 5.921 1 0 KKAFRO CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2CCCC(F)(F)F)n1Cc1ccc(C(=O)OC)cc1 ZINC000100715771 562807240 /nfs/dbraw/zinc/80/72/40/562807240.db2.gz QSEKBEFNBBISDU-QJOMJCCJSA-N 1 0 548.606 5.808 1 0 KKAFRO CC(C)(Cc1ccco1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101051688 562808926 /nfs/dbraw/zinc/80/89/26/562808926.db2.gz LPAYCLFCCMEDPJ-JHOBJCJYSA-N 1 0 520.633 6.076 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 ZINC000101193467 562809788 /nfs/dbraw/zinc/80/97/88/562809788.db2.gz VJGAZDSJPMZIDL-YHTXFFTCSA-N 1 0 553.795 6.979 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809867 /nfs/dbraw/zinc/80/98/67/562809867.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 1 0 598.738 7.041 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193586 562809918 /nfs/dbraw/zinc/80/99/18/562809918.db2.gz QOMFGNPECFGGMF-UVKXFEEUSA-N 1 0 606.767 6.491 1 0 KKAFRO c1ccc2c(c1)nc1c(C3=C[C@]45CC/C=C\CCCC[N@@H+]6CC[C@@H]3[C@]3(C[C@@H]7C=CCCC[C@@H](O4)N7[C@H]35)C6)[nH]ccc2-1 ZINC000101296940 562810250 /nfs/dbraw/zinc/81/02/50/562810250.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 1 0 546.759 7.171 1 0 KKAFRO CCCCNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000101372791 562810438 /nfs/dbraw/zinc/81/04/38/562810438.db2.gz PCDPCZBDOISVRU-FLWNBWAVSA-N 1 0 508.666 6.135 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624944 562811433 /nfs/dbraw/zinc/81/14/33/562811433.db2.gz KVGVPXHSSHDBTN-RXGYLRSASA-N 1 0 597.754 6.441 1 0 KKAFRO CCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696104 562811793 /nfs/dbraw/zinc/81/17/93/562811793.db2.gz OXMIJSVIKYIGSO-QHCPKHFHSA-N 1 0 610.780 6.067 1 0 KKAFRO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696213 562811832 /nfs/dbraw/zinc/81/18/32/562811832.db2.gz NTPDWLWNIDHMMF-JOCHJYFZSA-N 1 0 596.753 5.677 1 0 KKAFRO CCCCCC[C@H]1C[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C[N@H+](CCCc2ccccc2)C1 ZINC000101708433 562811983 /nfs/dbraw/zinc/81/19/83/562811983.db2.gz JKGWMMAVDYUWPT-FPNNDXFKSA-N 1 0 532.725 6.284 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 ZINC000102810391 562813353 /nfs/dbraw/zinc/81/33/53/562813353.db2.gz VCZCVYJHOFNALJ-QUMGSSFMSA-N 1 0 531.667 6.090 1 0 KKAFRO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135087 562814459 /nfs/dbraw/zinc/81/44/59/562814459.db2.gz SYXAHSDAHIOHSU-HSZRJFAPSA-N 1 0 545.481 5.824 1 0 KKAFRO C/C=C1/CN2CCc3c4ccccc4n4c3C(=CN3c5ccccc5[C@]56CC[N@@H+]7C/C(=C/C)[C@H](C[C@H]75)C(=C4)[C@H]36)[C@H]1CC2=O ZINC000103150710 562814521 /nfs/dbraw/zinc/81/45/21/562814521.db2.gz OSKKNZHUYWQWKZ-NGDISOSNSA-N 1 0 566.749 6.368 1 0 KKAFRO Clc1ccc([C@H](Cn2cncn2)C[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)c(Cl)c1 ZINC000103176099 562815089 /nfs/dbraw/zinc/81/50/89/562815089.db2.gz HVILDJJFPBAMPJ-MZHSFCLDSA-N 1 0 503.477 7.098 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103187771 562815516 /nfs/dbraw/zinc/81/55/16/562815516.db2.gz WYQIZJIQGCPDDP-HSZRJFAPSA-N 1 0 579.564 5.733 1 0 KKAFRO CN(C)c1ccc(NC(NCCCCCCCCc2ccc(C(C)(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103211859 562816745 /nfs/dbraw/zinc/81/67/45/562816745.db2.gz KJINCUXNCFYZBS-UHFFFAOYSA-N 1 0 549.756 6.683 1 0 KKAFRO COC(=O)c1ccc([C@@]2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@H+]3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000103225814 562817743 /nfs/dbraw/zinc/81/77/43/562817743.db2.gz MTPFOKXOZBMPJU-FYYHFJLLSA-N 1 0 524.448 5.315 1 0 KKAFRO NC(=O)[C@]1(c2ncc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227225 562817926 /nfs/dbraw/zinc/81/79/26/562817926.db2.gz APSCTLSVGWMNTN-KQESFQHQSA-N 1 0 502.392 5.806 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228637 562818015 /nfs/dbraw/zinc/81/80/15/562818015.db2.gz QFUYRIFJXJFKIM-UHFFFAOYSA-N 1 0 547.652 6.009 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(C(C)=O)c(OC)c3)c2)cc1 ZINC000103228606 562818043 /nfs/dbraw/zinc/81/80/43/562818043.db2.gz TYRDOWRVQZVUKV-UHFFFAOYSA-N 1 0 535.641 5.947 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4OC)[C@@H](c4ccccc4OC)N23)cc1 ZINC000103230175 562818144 /nfs/dbraw/zinc/81/81/44/562818144.db2.gz FPOSITSESXWBAH-AMSOUEKYSA-N 1 0 523.658 6.111 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230169 562818164 /nfs/dbraw/zinc/81/81/64/562818164.db2.gz SXNBYFCNJKLKND-YAUXARCYSA-N 1 0 532.496 7.401 1 0 KKAFRO CCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234225 562818543 /nfs/dbraw/zinc/81/85/43/562818543.db2.gz WBNHEXZVUGRMTR-UHFFFAOYSA-N 1 0 585.164 5.221 1 0 KKAFRO CCN(Cc1ccccc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234270 562818612 /nfs/dbraw/zinc/81/86/12/562818612.db2.gz HDYHDOVZUHZOKX-UHFFFAOYSA-N 1 0 567.174 5.082 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235741 562818720 /nfs/dbraw/zinc/81/87/20/562818720.db2.gz ICSKIEUWVASLGU-FLWJLJKUSA-N 1 0 583.604 7.788 1 0 KKAFRO CC(C)C[NH+]1CCC(c2ccccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000103239119 562819252 /nfs/dbraw/zinc/81/92/52/562819252.db2.gz AQTOUSPLFRWUSY-UHFFFAOYSA-N 1 0 528.575 7.252 1 0 KKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1ccccc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000103239121 562819315 /nfs/dbraw/zinc/81/93/15/562819315.db2.gz GTTXZQJMEXLDGZ-UHFFFAOYSA-N 1 0 562.592 7.796 1 0 KKAFRO O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)[NH2+]2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 ZINC000103252133 562820397 /nfs/dbraw/zinc/82/03/97/562820397.db2.gz AHGPIPADZZLPDD-XVOBZGQLSA-N 1 0 528.653 5.409 1 0 KKAFRO O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000103253585 562820548 /nfs/dbraw/zinc/82/05/48/562820548.db2.gz LFEGDHBZJSJJHP-FQEVSTJZSA-N 1 0 555.054 5.426 1 0 KKAFRO O=C(Nc1cccc2nonc21)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263336 562821696 /nfs/dbraw/zinc/82/16/96/562821696.db2.gz VEZHRXHMYNQQIK-UHFFFAOYSA-N 1 0 503.990 5.798 1 0 KKAFRO Cc1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264951 562822060 /nfs/dbraw/zinc/82/20/60/562822060.db2.gz BMOJETYKOWBJNF-FREGXXQWSA-N 1 0 616.688 6.791 1 0 KKAFRO COC(=O)[C@@](CCC[N@H+]1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265090 562822072 /nfs/dbraw/zinc/82/20/72/562822072.db2.gz VJNSKFRRVHJJRE-HHHXNRCGSA-N 1 0 500.477 6.094 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C)c(NC(=O)c3ccc(Nc4ncc(C)c(-c5ccc(OC(F)(F)F)cc5)n4)cc3)c2)CC1 ZINC000103267526 562822422 /nfs/dbraw/zinc/82/24/22/562822422.db2.gz HZEBCZOZFPQSTJ-UHFFFAOYSA-N 1 0 604.677 6.792 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268304 562822699 /nfs/dbraw/zinc/82/26/99/562822699.db2.gz BVBKKSBNHAKHEX-VBTAUBHQSA-N 1 0 646.902 5.289 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000103277454 562823288 /nfs/dbraw/zinc/82/32/88/562823288.db2.gz DBYZLUYCEAGBJM-IIUZHZGHSA-N 1 0 631.691 6.432 1 0 KKAFRO Cc1ccccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283362 562823669 /nfs/dbraw/zinc/82/36/69/562823669.db2.gz IIXUBHOQXODODU-XLDNGHKCSA-N 1 0 549.158 7.519 1 0 KKAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CC[NH2+][C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000113089205 562826112 /nfs/dbraw/zinc/82/61/12/562826112.db2.gz VBOGJQHDDMXGGU-XMMPIXPASA-N 1 0 510.400 5.106 1 0 KKAFRO O=C(/C=C/C[NH+]1CCCCC1)Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000112977116 562826136 /nfs/dbraw/zinc/82/61/36/562826136.db2.gz CJIJVEOGUOJOMJ-GQCTYLIASA-N 1 0 583.108 5.248 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037584 562827093 /nfs/dbraw/zinc/82/70/93/562827093.db2.gz CHEFFCXFEZUVQX-GOSISDBHSA-N 1 0 503.990 5.148 1 0 KKAFRO CO[C@@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037377 562827108 /nfs/dbraw/zinc/82/71/08/562827108.db2.gz UCTVEWRBYCEHHU-LZBANZJXSA-N 1 0 554.518 6.951 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099581 562827620 /nfs/dbraw/zinc/82/76/20/562827620.db2.gz HZDMBSQXOULJJV-RUZDIDTESA-N 1 0 508.106 6.054 1 0 KKAFRO COc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100118 562827674 /nfs/dbraw/zinc/82/76/74/562827674.db2.gz LCIDHVYSTRBEEO-JOCHJYFZSA-N 1 0 519.057 5.546 1 0 KKAFRO CC1(C)c2[nH]nc(NC(=O)c3cccc(Oc4ccccc4)c3)c2CN1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000114182287 562827872 /nfs/dbraw/zinc/82/78/72/562827872.db2.gz LDMPPKUZRMIUHB-AREMUKBSSA-N 1 0 536.636 5.272 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3cc(OC)c(OCCN4CC[C@H]([NH+](C)C)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114752908 562828426 /nfs/dbraw/zinc/82/84/26/562828426.db2.gz SOCMHMWQDVOXGG-SANMLTNESA-N 1 0 608.747 5.679 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[N@@H+]4CC[C@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755819 562828433 /nfs/dbraw/zinc/82/84/33/562828433.db2.gz YFIAGILPWYUJOO-DEOSSOPVSA-N 1 0 551.651 5.101 1 0 KKAFRO FC(F)(F)c1ccc(C(CCC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817179 562828480 /nfs/dbraw/zinc/82/84/80/562828480.db2.gz VFHNNZBPKBXMFQ-UHFFFAOYSA-N 1 0 545.571 8.392 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccccc1Cl ZINC000114979413 562828597 /nfs/dbraw/zinc/82/85/97/562828597.db2.gz KLGCZAQETFTCQS-SANMLTNESA-N 1 0 531.505 5.659 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(-c2ccon2)s1 ZINC000117351170 562829768 /nfs/dbraw/zinc/82/97/68/562829768.db2.gz GPDOJVVKIPKXNK-HHHXNRCGSA-N 1 0 570.136 5.723 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([N@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789034 562830562 /nfs/dbraw/zinc/83/05/62/562830562.db2.gz JHUAOSPKENTLLI-FAWRFRPBSA-N 1 0 618.262 8.070 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1C[NH3+] ZINC000118790359 562830574 /nfs/dbraw/zinc/83/05/74/562830574.db2.gz ZDRUXXFMVAAUQM-LBEKAKSKSA-N 1 0 508.062 5.729 1 0 KKAFRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)C(=O)N3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118793946 562830628 /nfs/dbraw/zinc/83/06/28/562830628.db2.gz YJNAVDANBICIEK-NHOCJEJCSA-N 1 0 604.191 6.471 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([NH+](C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791870 562830634 /nfs/dbraw/zinc/83/06/34/562830634.db2.gz GYPIVOQVWAXHTL-KOOBERTFSA-N 1 0 590.208 7.292 1 0 KKAFRO CC(C)N(CC[NH+](C)C)c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799850 562830707 /nfs/dbraw/zinc/83/07/07/562830707.db2.gz VVDDORQGXUJPER-PGUFJCEWSA-N 1 0 582.192 6.827 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118819708 562830747 /nfs/dbraw/zinc/83/07/47/562830747.db2.gz VGLGNSRSXLUAAG-TXDYMCHWSA-N 1 0 604.191 6.866 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118819705 562830767 /nfs/dbraw/zinc/83/07/67/562830767.db2.gz VGLGNSRSXLUAAG-PJBRNLGDSA-N 1 0 604.191 6.866 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC ZINC000136814367 562831295 /nfs/dbraw/zinc/83/12/95/562831295.db2.gz MDEQINWCRXTCBU-UHFFFAOYSA-N 1 0 540.616 6.407 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000138610384 562832060 /nfs/dbraw/zinc/83/20/60/562832060.db2.gz NHBFDSAAENLDDM-AKLOJVPLSA-N 1 0 570.605 6.705 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140653008 562833228 /nfs/dbraw/zinc/83/32/28/562833228.db2.gz WSNSLJODPHJFTE-DHLKQENFSA-N 1 0 560.705 5.694 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000141658704 562833632 /nfs/dbraw/zinc/83/36/32/562833632.db2.gz QMHPRUDVMNZQSE-XUZZJYLKSA-N 1 0 558.733 5.310 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142237766 562834081 /nfs/dbraw/zinc/83/40/81/562834081.db2.gz QXQLYZMNBDEQGD-UCQWAOOQSA-N 1 0 594.774 6.645 1 0 KKAFRO Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CC[NH2+]CC4)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000142788457 562834376 /nfs/dbraw/zinc/83/43/76/562834376.db2.gz POYJMKCTUDOSRK-SFHVURJKSA-N 1 0 503.025 5.889 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CC[NH+]1CCCCC1)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000142984648 562834428 /nfs/dbraw/zinc/83/44/28/562834428.db2.gz JLRRXORWMUQGQX-UHFFFAOYSA-N 1 0 619.923 5.424 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1OC[C@@H](C)NC(=O)CC[NH+](CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000142948955 562834449 /nfs/dbraw/zinc/83/44/49/562834449.db2.gz XKROSFHVZFKVQN-QGZVFWFLSA-N 1 0 587.494 5.015 1 0 KKAFRO CC(=O)N1CCC([NH+]2CCC(n3cc(Nc4ncc5c(n4)-c4c(nn(C)c4Cc4ccccc4Cl)C[C@H]5C)cn3)CC2)CC1 ZINC000143109868 562834626 /nfs/dbraw/zinc/83/46/26/562834626.db2.gz QFQNHTDMQSXDJH-OAQYLSRUSA-N 1 0 614.198 5.369 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249291 562834833 /nfs/dbraw/zinc/83/48/33/562834833.db2.gz AYHOCUNWSMDBOV-NHCUHLMSSA-N 1 0 511.496 5.012 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2cccc3O)CC1 ZINC000143331662 562834937 /nfs/dbraw/zinc/83/49/37/562834937.db2.gz AAYPGQDBDMWPLH-UHFFFAOYSA-N 1 0 568.640 7.466 1 0 KKAFRO CCCCC[NH2+][C@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143367938 562834990 /nfs/dbraw/zinc/83/49/90/562834990.db2.gz DOPOFCFAXCHMPP-QWRGUYRKSA-N 1 0 616.034 7.116 1 0 KKAFRO CS(=O)(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)c1 ZINC000143453781 562835031 /nfs/dbraw/zinc/83/50/31/562835031.db2.gz PBXBFOHDNSIPPE-UHFFFAOYSA-N 1 0 544.680 6.625 1 0 KKAFRO CC(C)[NH2+][C@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143526461 562835140 /nfs/dbraw/zinc/83/51/40/562835140.db2.gz OBORHCMBBBMVJQ-IUCAKERBSA-N 1 0 587.980 6.334 1 0 KKAFRO [NH3+][C@@H]1CCC[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143622527 562835225 /nfs/dbraw/zinc/83/52/25/562835225.db2.gz WIIUUFVRSJRGSM-PHDIDXHHSA-N 1 0 545.899 5.295 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745098 562835275 /nfs/dbraw/zinc/83/52/75/562835275.db2.gz CEVVHHOKZMIXGC-XKKJXBDVSA-N 1 0 531.700 6.084 1 0 KKAFRO CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(cc[nH+]c3N)c1)c1ccc(cc1)CCCC(=O)N2 ZINC000143890379 562835352 /nfs/dbraw/zinc/83/53/52/562835352.db2.gz ZOWREHOVFWKKPQ-GDLZYMKVSA-N 1 0 585.730 5.134 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCC[N@@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144273651 562836041 /nfs/dbraw/zinc/83/60/41/562836041.db2.gz WGRUESGNZJBCSB-FQEVSTJZSA-N 1 0 518.641 5.138 1 0 KKAFRO COc1cccc2c1OCC[C@]21C[NH2+]C[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(F)(F)C1 ZINC000144491368 562836254 /nfs/dbraw/zinc/83/62/54/562836254.db2.gz QDJWLSPATDJTJC-QLKICXFFSA-N 1 0 524.652 5.535 1 0 KKAFRO CC[N@@H+]1C[C@H](F)[C@H](CN(C(=O)[C@@H]2CCCO2)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2cccc(F)c2)C(C)(C)OC)C1 ZINC000144554565 562836410 /nfs/dbraw/zinc/83/64/10/562836410.db2.gz BXBCAGBSQBGQLP-FYYOVZQQSA-N 1 0 617.688 5.174 1 0 KKAFRO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2C ZINC000144982569 562836821 /nfs/dbraw/zinc/83/68/21/562836821.db2.gz UYYCHKFCCDPBMQ-AFYCESQPSA-N 1 0 548.687 5.753 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1c2c(nn1C)-c1nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc1CCC2 ZINC000145909313 562837713 /nfs/dbraw/zinc/83/77/13/562837713.db2.gz NGSWZHUXTMIEEP-UHFFFAOYSA-N 1 0 594.764 5.247 1 0 KKAFRO CN1Cc2cccc(Oc3nc(Nc4ccc(NC5CC[NH+](C)CC5)c(F)c4)ncc3C(F)(F)F)c2C1=O ZINC000146005505 562837904 /nfs/dbraw/zinc/83/79/04/562837904.db2.gz BAWBWSGIKBPHGO-UHFFFAOYSA-N 1 0 530.526 5.262 1 0 KKAFRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146022196 562837959 /nfs/dbraw/zinc/83/79/59/562837959.db2.gz RHMLLPMSYOZMFU-UHFFFAOYSA-N 1 0 604.605 5.082 1 0 KKAFRO COc1cc(N2CC[NH+](CC3CC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146038147 562837997 /nfs/dbraw/zinc/83/79/97/562837997.db2.gz PJAPPVNMEIKVJE-UHFFFAOYSA-N 1 0 568.600 5.158 1 0 KKAFRO Cc1ccc(NC(=O)CCC(F)(F)F)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146222108 562838372 /nfs/dbraw/zinc/83/83/72/562838372.db2.gz DBYRCXGSAGVZTI-UHFFFAOYSA-N 1 0 553.633 5.124 1 0 KKAFRO CC(=O)N1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000146989798 562838970 /nfs/dbraw/zinc/83/89/70/562838970.db2.gz GGZUBZIFLQTHQP-HVHHDALESA-N 1 0 589.539 5.010 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(C)(C)C)c2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000146937427 562838958 /nfs/dbraw/zinc/83/89/58/562838958.db2.gz RMHAIMRVJMLEKB-UHFFFAOYSA-N 1 0 603.771 6.033 1 0 KKAFRO Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC[C@@H]([NH+](C)C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146981480 562838985 /nfs/dbraw/zinc/83/89/85/562838985.db2.gz STYOIONWJKZSGL-XMMPIXPASA-N 1 0 523.729 5.772 1 0 KKAFRO O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CC[NH+]5CCCCC5)s4)ccn32)c1 ZINC000147434074 562839303 /nfs/dbraw/zinc/83/93/03/562839303.db2.gz FVBYZAPHBUXFOH-UHFFFAOYSA-N 1 0 529.592 5.232 1 0 KKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147641231 562839466 /nfs/dbraw/zinc/83/94/66/562839466.db2.gz LVGOHLZRHCXTJK-KKUQBAQOSA-N 1 0 523.802 8.923 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000147947001 562839814 /nfs/dbraw/zinc/83/98/14/562839814.db2.gz HUUXJEYKBSKWTM-MUUNZHRXSA-N 1 0 515.683 5.540 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148109621 562840280 /nfs/dbraw/zinc/84/02/80/562840280.db2.gz LWJJRZZYEDDPGI-UHFFFAOYSA-N 1 0 568.579 5.720 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3F)cc2C(F)(F)F)CC1 ZINC000148145427 562840288 /nfs/dbraw/zinc/84/02/88/562840288.db2.gz CGMQSJXTBXHOTH-UHFFFAOYSA-N 1 0 584.618 5.053 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000148139975 562840310 /nfs/dbraw/zinc/84/03/10/562840310.db2.gz FNOGCXUMXLDVNS-UHFFFAOYSA-N 1 0 578.643 6.407 1 0 KKAFRO COCCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C[NH+]5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148136437 562840332 /nfs/dbraw/zinc/84/03/32/562840332.db2.gz MTKDXORGODSKHJ-UHFFFAOYSA-N 1 0 580.615 5.397 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148167859 562840387 /nfs/dbraw/zinc/84/03/87/562840387.db2.gz ORCOAUWHFCFOPX-UHFFFAOYSA-N 1 0 625.675 5.679 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000148165267 562840412 /nfs/dbraw/zinc/84/04/12/562840412.db2.gz MKBRDAXEVSTMTO-UHFFFAOYSA-N 1 0 582.631 5.751 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148171285 562840427 /nfs/dbraw/zinc/84/04/27/562840427.db2.gz JKNYELDCOXITQY-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CC[C@H](F)C6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000148297831 562840879 /nfs/dbraw/zinc/84/08/79/562840879.db2.gz CZFMDQHUIUMALQ-QFIPXVFZSA-N 1 0 623.659 5.433 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc21 ZINC000148317990 562840997 /nfs/dbraw/zinc/84/09/97/562840997.db2.gz PONGYJPNYYJVAO-OYRHEFFESA-N 1 0 599.740 5.088 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CCC(C[NH+]4CCCC4)CC3)nc21 ZINC000148374113 562841216 /nfs/dbraw/zinc/84/12/16/562841216.db2.gz AEKXJAYHDPVMAJ-UHFFFAOYSA-N 1 0 568.730 5.057 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(Cl)c2)n1 ZINC000148440911 562841280 /nfs/dbraw/zinc/84/12/80/562841280.db2.gz OIBAYPISDCPRHS-UHFFFAOYSA-N 1 0 535.954 5.517 1 0 KKAFRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148614469 562841573 /nfs/dbraw/zinc/84/15/73/562841573.db2.gz MKFNPMPQCHBNBZ-NRFANRHFSA-N 1 0 517.066 5.025 1 0 KKAFRO NC(=O)c1ccccc1OCCC[NH+]1CCN(c2cccc3c2ccn3Cc2cccc(Cl)c2)CC1 ZINC000148662444 562841623 /nfs/dbraw/zinc/84/16/23/562841623.db2.gz TXNIRSWZVDUVJR-UHFFFAOYSA-N 1 0 503.046 5.033 1 0 KKAFRO COc1ccccc1-c1c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2sc1C(C)(C)O ZINC000150312421 562843074 /nfs/dbraw/zinc/84/30/74/562843074.db2.gz LDEBNXDPZBATHN-UHFFFAOYSA-N 1 0 519.671 5.098 1 0 KKAFRO O=C(c1sc2ccccc2c1Cl)N1C[C@@H]2C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]2C12CC[NH2+]CC2 ZINC000150353086 562843288 /nfs/dbraw/zinc/84/32/88/562843288.db2.gz YOFWXHCWDOJSFS-ICSRJNTNSA-N 1 0 630.010 5.972 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000150546398 562844451 /nfs/dbraw/zinc/84/44/51/562844451.db2.gz QTNSQIABBSIQJF-WAOBCCGISA-N 1 0 733.490 7.696 1 0 KKAFRO O=C(CC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546481 562844468 /nfs/dbraw/zinc/84/44/68/562844468.db2.gz PWXIVTJBYURGPT-UHFFFAOYSA-N 1 0 646.773 5.605 1 0 KKAFRO O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583498 562845659 /nfs/dbraw/zinc/84/56/59/562845659.db2.gz UFNLUDOAYKNDQW-LHXZUMEBSA-N 1 0 703.696 8.086 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584320 562845708 /nfs/dbraw/zinc/84/57/08/562845708.db2.gz KHNPPFOCVAHBIR-PZSMLTKBSA-N 1 0 776.323 6.906 1 0 KKAFRO Cc1ccc([C@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586659 562845857 /nfs/dbraw/zinc/84/58/57/562845857.db2.gz MFAMOPUOBNKRKO-MMEOBGCCSA-N 1 0 755.905 6.561 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)[nH+]ccc3c2)c2ccc(Cl)c(OC)c2)c1 ZINC000150601774 562847275 /nfs/dbraw/zinc/84/72/75/562847275.db2.gz MKOCYGRBOOMZRC-POURPWNDSA-N 1 0 666.200 6.356 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N[C@@H](C[NH+](C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604112 562847534 /nfs/dbraw/zinc/84/75/34/562847534.db2.gz QFYWEWHEOQPTQQ-QSCLJHCWSA-N 1 0 719.978 5.840 1 0 KKAFRO CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@H]1c1cccc(F)c1N1CC[NH+](C(C)(C)C)CC1 ZINC000150606298 562847941 /nfs/dbraw/zinc/84/79/41/562847941.db2.gz CWVIRPPISINNPT-IKYOIFQTSA-N 1 0 706.973 6.596 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612093 562848541 /nfs/dbraw/zinc/84/85/41/562848541.db2.gz OWUNWYFBVXAWFX-OASGAIJMSA-N 1 0 639.789 7.179 1 0 KKAFRO CCOC(=O)O[C@H](C)OC(=O)c1ccc2c(cc(C(=O)NC3CC[NH+](C(C)C)CC3)n2Cc2cc(-c3ccc(Cl)s3)on2)c1 ZINC000161868758 562849218 /nfs/dbraw/zinc/84/92/18/562849218.db2.gz GJTKAAFWJZWEPS-LJQANCHMSA-N 1 0 643.162 6.338 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cc(F)c32)[C@H]1c1cccc(Cl)c1F ZINC000163544718 562849359 /nfs/dbraw/zinc/84/93/59/562849359.db2.gz DJIREPOVQVUVTA-DOHPXTJBSA-N 1 0 631.507 5.768 1 0 KKAFRO CCc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000164203154 562849572 /nfs/dbraw/zinc/84/95/72/562849572.db2.gz PXWTVOJRXKUHBC-UHFFFAOYSA-N 1 0 669.495 7.730 1 0 KKAFRO C[NH+](C)C[C@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@H](O)c1ccccc1 ZINC000164752920 562849709 /nfs/dbraw/zinc/84/97/09/562849709.db2.gz FAPXOLFYGWNEHZ-BBATYDOGSA-N 1 0 640.012 5.936 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N(C)CC[NH+]5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000165258866 562849950 /nfs/dbraw/zinc/84/99/50/562849950.db2.gz PFXYNUIYLPXZGN-UHFFFAOYSA-N 1 0 634.585 5.994 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000165263624 562849975 /nfs/dbraw/zinc/84/99/75/562849975.db2.gz GDHIKRHJYQYIGB-UHFFFAOYSA-N 1 0 643.665 5.976 1 0 KKAFRO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6cccc(C)n6)[nH]5)CC4)cc3)nc12 ZINC000167092668 562850645 /nfs/dbraw/zinc/85/06/45/562850645.db2.gz GVCNADNWQCTCHW-UHFFFAOYSA-N 1 0 620.664 5.996 1 0 KKAFRO FC(F)(F)c1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000167411816 562850815 /nfs/dbraw/zinc/85/08/15/562850815.db2.gz FMMWMJJSOQLEJW-UHFFFAOYSA-N 1 0 552.604 7.338 1 0 KKAFRO NC(=O)[C@H]([NH2+][C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000168018995 562851203 /nfs/dbraw/zinc/85/12/03/562851203.db2.gz PDJAYZAJEHUMDM-PBNDBXAQSA-N 1 0 538.614 5.007 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000168136907 562851244 /nfs/dbraw/zinc/85/12/44/562851244.db2.gz CGHYLCYZIDWPLW-MPZYELNSSA-N 1 0 541.618 5.601 1 0 KKAFRO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1OC ZINC000169291602 562851930 /nfs/dbraw/zinc/85/19/30/562851930.db2.gz PWHGDVUYVPECPZ-NJDXOATJSA-N 1 0 538.732 6.278 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)nn1C ZINC000169308191 562854034 /nfs/dbraw/zinc/85/40/34/562854034.db2.gz BPFIWOZDVMGAQI-UHFFFAOYSA-N 1 0 638.731 8.440 1 0 KKAFRO O=C(CCCOc1cccc2[nH]c3ccccc3c21)NCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000169309084 562854266 /nfs/dbraw/zinc/85/42/66/562854266.db2.gz SNHXSTFOPXTQSU-UHFFFAOYSA-N 1 0 506.650 6.526 1 0 KKAFRO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310150 562854690 /nfs/dbraw/zinc/85/46/90/562854690.db2.gz UWULGUFSFZJDEY-OXYPMYLPSA-N 1 0 580.685 5.231 1 0 KKAFRO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000169311275 562855090 /nfs/dbraw/zinc/85/50/90/562855090.db2.gz ILECMSXDFSLYHA-XOXLXNDPSA-N 1 0 786.030 5.226 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(Nc2ccccc2)nc1 ZINC000169311253 562855098 /nfs/dbraw/zinc/85/50/98/562855098.db2.gz PHBGPFOCLNZBNW-UHFFFAOYSA-N 1 0 603.649 5.799 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000169311387 562855154 /nfs/dbraw/zinc/85/51/54/562855154.db2.gz URUXJQMHGMLTBN-UHFFFAOYSA-N 1 0 549.597 5.747 1 0 KKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169312092 562855279 /nfs/dbraw/zinc/85/52/79/562855279.db2.gz AQBIPWHIWZFQLT-FGZHOGPDSA-N 1 0 554.638 6.039 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312244 562855297 /nfs/dbraw/zinc/85/52/97/562855297.db2.gz CJPDGBBUNPXIKE-VEEOACQBSA-N 1 0 528.718 7.244 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312240 562855305 /nfs/dbraw/zinc/85/53/05/562855305.db2.gz JUYOUNCVTDPWBT-JSOSNVBQSA-N 1 0 512.650 6.775 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317498 562855988 /nfs/dbraw/zinc/85/59/88/562855988.db2.gz AJUAJKZVPJDBSA-RCZVLFRGSA-N 1 0 538.404 6.350 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000169321603 562856664 /nfs/dbraw/zinc/85/66/64/562856664.db2.gz ADQFOTNYOVDLON-UHFFFAOYSA-N 1 0 563.101 7.248 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Cc4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321600 562856668 /nfs/dbraw/zinc/85/66/68/562856668.db2.gz XKGSIUCZSSBDGL-UHFFFAOYSA-N 1 0 532.663 7.093 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322871 562856887 /nfs/dbraw/zinc/85/68/87/562856887.db2.gz JMIFODWCSGNQNE-UHFFFAOYSA-N 1 0 668.326 9.206 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)/C=C/c4ccc(Cl)cc4)cc32)c1C ZINC000169323188 562857009 /nfs/dbraw/zinc/85/70/09/562857009.db2.gz NQBRYPQUAMHSHI-MOAJBTABSA-N 1 0 581.138 5.294 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324403 562857309 /nfs/dbraw/zinc/85/73/09/562857309.db2.gz MBKDKHIIZHYJTK-UHFFFAOYSA-N 1 0 549.719 6.212 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324424 562857354 /nfs/dbraw/zinc/85/73/54/562857354.db2.gz VNQRCHATDCVDNA-UHFFFAOYSA-N 1 0 591.800 7.383 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324410 562857364 /nfs/dbraw/zinc/85/73/64/562857364.db2.gz FHATWAGGQYRQPD-UHFFFAOYSA-N 1 0 549.719 6.212 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324434 562857383 /nfs/dbraw/zinc/85/73/83/562857383.db2.gz UAYCTIQFWGSWCO-UHFFFAOYSA-N 1 0 591.800 7.383 1 0 KKAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000169326890 562857877 /nfs/dbraw/zinc/85/78/77/562857877.db2.gz VXMYQVUXZGHVKU-HKBQPEDESA-N 1 0 699.705 5.457 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000169326948 562857920 /nfs/dbraw/zinc/85/79/20/562857920.db2.gz PRYOMGLDNWMVAE-SSEXGKCCSA-N 1 0 681.197 5.120 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCSc1nc2ccccc2[nH]1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327057 562858042 /nfs/dbraw/zinc/85/80/42/562858042.db2.gz PMGHXLLSLUSNAH-UHFFFAOYSA-N 1 0 667.758 6.916 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4cnc5ccccc5c4)C3)cc2s1)C1CCCC1 ZINC000169327441 562858079 /nfs/dbraw/zinc/85/80/79/562858079.db2.gz OLMJLAOHKKSION-PKTZIBPZSA-N 1 0 527.694 6.260 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCc5ncccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327461 562858107 /nfs/dbraw/zinc/85/81/07/562858107.db2.gz UGHYNFYBSSXCOO-PMOQBDJRSA-N 1 0 531.726 5.712 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(I)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333347 562859255 /nfs/dbraw/zinc/85/92/55/562859255.db2.gz RAAGTWXRBVJIIJ-XMMPIXPASA-N 1 0 571.330 7.749 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000169333547 562859301 /nfs/dbraw/zinc/85/93/01/562859301.db2.gz UVCUYLCLOWFICR-GDLZYMKVSA-N 1 0 535.094 9.070 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(Cl)cc12 ZINC000169333494 562859320 /nfs/dbraw/zinc/85/93/20/562859320.db2.gz BBTUAXKFNQFEPH-DEOSSOPVSA-N 1 0 514.324 8.451 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334286 562859464 /nfs/dbraw/zinc/85/94/64/562859464.db2.gz LRYGAOCWBWIYJE-HSZRJFAPSA-N 1 0 575.886 8.380 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc21 ZINC000169334634 562859528 /nfs/dbraw/zinc/85/95/28/562859528.db2.gz WNIYUNKMXKMAEP-LJAQVGFWSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335717 562859693 /nfs/dbraw/zinc/85/96/93/562859693.db2.gz JSXJKQTXXLTQIQ-MHZLTWQESA-N 1 0 515.923 7.767 1 0 KKAFRO CCCC[NH+](CCCC)CCCCCCOc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000169342784 562861007 /nfs/dbraw/zinc/86/10/07/562861007.db2.gz FQFUKTCPJFQACE-PMERELPUSA-N 1 0 510.763 6.975 1 0 KKAFRO CCOC(=O)CCC(=O)Nc1ccccc1CCC[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346309 562861774 /nfs/dbraw/zinc/86/17/74/562861774.db2.gz RUNBAWHYLOCEIN-BOBPPRSMSA-N 1 0 504.671 5.365 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348459 562862251 /nfs/dbraw/zinc/86/22/51/562862251.db2.gz DXOOKKOUMBHRDB-YTTGMZPUSA-N 1 0 610.799 5.766 1 0 KKAFRO COC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348465 562862257 /nfs/dbraw/zinc/86/22/57/562862257.db2.gz HITJQXXXKUXOAQ-WBCKFURZSA-N 1 0 764.923 6.837 1 0 KKAFRO CC[C@H](C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348481 562862271 /nfs/dbraw/zinc/86/22/71/562862271.db2.gz OZSTZBYOVXBASP-ZQAZVOLISA-N 1 0 626.842 6.101 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350712 562862902 /nfs/dbraw/zinc/86/29/02/562862902.db2.gz WFFFXRJVCFPXNE-UHFFFAOYSA-N 1 0 721.708 7.435 1 0 KKAFRO O=C(OC[C@@H]([C@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353031 562863377 /nfs/dbraw/zinc/86/33/77/562863377.db2.gz OVBWQROKKIVGSL-OCZFFWILSA-N 1 0 638.816 7.102 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCCC2)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(F)(F)F)c12 ZINC000169686765 562865105 /nfs/dbraw/zinc/86/51/05/562865105.db2.gz DVOIKXZPECRROY-HNNXBMFYSA-N 1 0 539.599 5.818 1 0 KKAFRO Nc1ncccc1-c1nc2ccc(-c3cccc(NC(=O)C4CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697632 562866528 /nfs/dbraw/zinc/86/65/28/562866528.db2.gz LFVHUYXYEQYBQS-UHFFFAOYSA-N 1 0 515.621 5.418 1 0 KKAFRO CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=[NH2+])CCC(=N)NC(=O)Cc3ccccc3)s2)c1 ZINC000169698669 562867440 /nfs/dbraw/zinc/86/74/40/562867440.db2.gz XKFWFCLZWSDSPV-UHFFFAOYSA-N 1 0 624.833 5.283 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702201 562868297 /nfs/dbraw/zinc/86/82/97/562868297.db2.gz IEAJHUICXWPQSG-IBGZPJMESA-N 1 0 545.087 6.084 1 0 KKAFRO CCc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CCCC[C@@H]3[NH3+])c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703484 562868755 /nfs/dbraw/zinc/86/87/55/562868755.db2.gz CYCWYBGIVJMKOW-AHKZPQOWSA-N 1 0 504.638 5.584 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccccc1 ZINC000169704521 562869032 /nfs/dbraw/zinc/86/90/32/562869032.db2.gz YESOLRROWNDBEF-SANMLTNESA-N 1 0 523.555 5.864 3 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705440 562869355 /nfs/dbraw/zinc/86/93/55/562869355.db2.gz IOHUBRSXDOQTML-QHCPKHFHSA-N 1 0 528.016 6.234 1 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705472 562869406 /nfs/dbraw/zinc/86/94/06/562869406.db2.gz IENITCCKRMMHIT-QFIPXVFZSA-N 1 0 531.979 6.064 1 0 KKAFRO COC(=O)c1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169705878 562869765 /nfs/dbraw/zinc/86/97/65/562869765.db2.gz GQXFQHCPDRKRPV-UHFFFAOYSA-N 1 0 559.670 5.716 1 0 KKAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000169707552 562870060 /nfs/dbraw/zinc/87/00/60/562870060.db2.gz IOGNPABAZCILJZ-YKSBVNFPSA-N 1 0 663.097 5.463 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](CC)CC3)nc2)c1 ZINC000169711518 562870983 /nfs/dbraw/zinc/87/09/83/562870983.db2.gz CNITVICGFVKTCM-UHFFFAOYSA-N 1 0 586.693 5.278 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C[C@@H](C)O)CC3)cc2)c1 ZINC000169711594 562871059 /nfs/dbraw/zinc/87/10/59/562871059.db2.gz LLWPVHSOAKYKEO-HSZRJFAPSA-N 1 0 615.731 5.244 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](CCc2ccccc2)C1=O ZINC000195449609 562871898 /nfs/dbraw/zinc/87/18/98/562871898.db2.gz LVWYTEIVGDGPOX-FQLXRVMXSA-N 1 0 538.688 5.701 1 0 KKAFRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000195499635 562872008 /nfs/dbraw/zinc/87/20/08/562872008.db2.gz AVDIGXKFDNTSGD-WYDAKKJLSA-N 1 0 637.818 5.707 1 0 KKAFRO CCOc1cccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000196616819 562872583 /nfs/dbraw/zinc/87/25/83/562872583.db2.gz PPBGNSZPDCEZLQ-QRXNUUPWSA-N 1 0 561.682 5.880 1 0 KKAFRO O=NC=C1C=CN(CCOCCOCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)C=C1 ZINC000199495067 562873005 /nfs/dbraw/zinc/87/30/05/562873005.db2.gz TYYMSUNPQDIGKU-UHFFFAOYSA-N 1 0 503.643 5.284 1 0 KKAFRO Cc1nn(C)c(C)c1N(CC(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CC[NH+](C)CC2)cc1Cl ZINC000199940462 562873169 /nfs/dbraw/zinc/87/31/69/562873169.db2.gz BOHQHSGCHQSRHG-UHFFFAOYSA-N 1 0 537.504 5.469 1 0 KKAFRO C[NH+]1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c(OC(F)(F)F)c2)CC1 ZINC000201543776 562873497 /nfs/dbraw/zinc/87/34/97/562873497.db2.gz QSOOWIITUXDNSS-UHFFFAOYSA-N 1 0 581.561 5.760 1 0 KKAFRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC([N@@H+]4CCNC(=O)C4)CC3)cn1)C(=O)C2 ZINC000203662926 562874005 /nfs/dbraw/zinc/87/40/05/562874005.db2.gz ATBRFGBPELIIFJ-ZUWXBNTRSA-N 1 0 646.232 5.636 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnn(C5CC[NH2+]CC5)c4)c3c2)cc(Cl)c1O ZINC000203796691 562874110 /nfs/dbraw/zinc/87/41/10/562874110.db2.gz VDRVFDWZDSNFIX-UHFFFAOYSA-N 1 0 518.017 5.727 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)CC1 ZINC000203988916 562874276 /nfs/dbraw/zinc/87/42/76/562874276.db2.gz UXRGWKIILXKLLI-UHFFFAOYSA-N 1 0 515.564 5.369 1 0 KKAFRO [NH3+]C1CCN(c2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)cc[nH+]2)CC1 ZINC000203990000 562874337 /nfs/dbraw/zinc/87/43/37/562874337.db2.gz NUHGCZCBARRDFW-UHFFFAOYSA-N 1 0 548.474 6.573 1 0 KKAFRO CC(C)[C@H](CO)[NH2+]Cc1nc(-c2cc3c(cccc3OCc3ccccc3)n2C(=O)OC(C)(C)C)ccc1F ZINC000204413304 562874398 /nfs/dbraw/zinc/87/43/98/562874398.db2.gz VXQRJTQHPLZUIQ-SANMLTNESA-N 1 0 533.644 6.311 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnc(C)n4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428283 562874498 /nfs/dbraw/zinc/87/44/98/562874498.db2.gz DSQJCJALPOUQLS-HSZRJFAPSA-N 1 0 514.678 5.308 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@H+](Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430470 562874536 /nfs/dbraw/zinc/87/45/36/562874536.db2.gz MOISIFKTLSDCMP-AREMUKBSSA-N 1 0 548.695 5.791 1 0 KKAFRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F ZINC000205328056 562875067 /nfs/dbraw/zinc/87/50/67/562875067.db2.gz RBMXCWNRSJYYIJ-QHCPKHFHSA-N 1 0 511.576 5.290 1 0 KKAFRO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)Nc5ccc6c(c5)CC[N@@H+](C)CC6)[nH]c4c(Cl)c3)n2)c1 ZINC000205651530 562875616 /nfs/dbraw/zinc/87/56/16/562875616.db2.gz SEWYXDNVYRPGBZ-UHFFFAOYSA-N 1 0 527.032 5.038 1 0 KKAFRO CC[NH+]1CCN(c2ccc(-c3cccc([C@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)cn2)CC1 ZINC000205824936 562875952 /nfs/dbraw/zinc/87/59/52/562875952.db2.gz HPQJVWMEPFPJID-NRFANRHFSA-N 1 0 535.721 6.439 1 0 KKAFRO CCOC(=O)C1CCC(C[N@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000206131034 562876320 /nfs/dbraw/zinc/87/63/20/562876320.db2.gz IZGCNCMZPRQSKF-LPXOAACNSA-N 1 0 592.733 5.091 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)ncc2C1=O ZINC000206218610 562876415 /nfs/dbraw/zinc/87/64/15/562876415.db2.gz LQDFDTOGFMACSQ-UHFFFAOYSA-N 1 0 671.724 6.218 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2ccc(CC(=O)OC3CCOCC3)cc2)c1 ZINC000206435945 562876421 /nfs/dbraw/zinc/87/64/21/562876421.db2.gz BHTRISXBMWEIOP-UHFFFAOYSA-N 1 0 582.632 5.116 1 0 KKAFRO CC(C)Oc1ccccc1OCCC[NH+]1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC000206272772 562876430 /nfs/dbraw/zinc/87/64/30/562876430.db2.gz KSMMWWDYFYFBQD-UHFFFAOYSA-N 1 0 533.694 5.257 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718747 562876538 /nfs/dbraw/zinc/87/65/38/562876538.db2.gz IBBMVDZVJHYHGH-QHCPKHFHSA-N 1 0 564.082 7.308 1 0 KKAFRO Cc1noc(C)c1[C@@H]1C[C@@H](c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)NC(=[NH2+])S1 ZINC000221390006 562878963 /nfs/dbraw/zinc/87/89/63/562878963.db2.gz FUYTWXXAKIOQLY-ROUUACIJSA-N 1 0 504.385 5.074 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc12 ZINC000221458231 562878999 /nfs/dbraw/zinc/87/89/99/562878999.db2.gz SPEKQSDIHIDYJX-UHFFFAOYSA-N 1 0 632.249 8.248 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(Br)cc5)n4)cc32)c1C ZINC000221773819 562879224 /nfs/dbraw/zinc/87/92/24/562879224.db2.gz DVNUSLQFPSUEIA-JLPGSUDCSA-N 1 0 618.601 6.749 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c1C ZINC000221772173 562879234 /nfs/dbraw/zinc/87/92/34/562879234.db2.gz BEBJDWUYTTXTKZ-HFTWOUSFSA-N 1 0 532.688 6.530 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1F ZINC000222186002 562879748 /nfs/dbraw/zinc/87/97/48/562879748.db2.gz QMNMYAYUSXNUSZ-UHFFFAOYSA-N 1 0 624.717 6.817 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222190966 562879790 /nfs/dbraw/zinc/87/97/90/562879790.db2.gz WRZNQISIWPZWOM-UHFFFAOYSA-N 1 0 664.660 7.200 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@H](O)C[NH+]1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224100999 562880355 /nfs/dbraw/zinc/88/03/55/562880355.db2.gz ILSKQZCULNKRSM-XDCSYDRFSA-N 1 0 637.583 7.201 1 0 KKAFRO C[NH+]1CCC(c2cc3c(nccc3-c3nc(NCc4ccc(S(C)(=O)=O)cc4)ccc3Cl)[nH]2)CC1 ZINC000226065423 562880891 /nfs/dbraw/zinc/88/08/91/562880891.db2.gz AALRKJZOMLZXEH-UHFFFAOYSA-N 1 0 510.063 5.103 1 0 KKAFRO COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1 ZINC000248089993 562881636 /nfs/dbraw/zinc/88/16/36/562881636.db2.gz UYQJRDUPAQZFMI-UHFFFAOYSA-N 1 0 546.593 6.533 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638456 562882468 /nfs/dbraw/zinc/88/24/68/562882468.db2.gz RCIMAYJLHGXJSS-NAOGDZDTSA-N 1 0 509.137 5.127 1 0 KKAFRO CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253680059 562882826 /nfs/dbraw/zinc/88/28/26/562882826.db2.gz XEAMFNQXXHLSLU-OPTSZNPBSA-N 1 0 634.214 5.789 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC[C@@H]4C[NH+]4CCCC4)c4ccc(C)cc34)cc2)c1C ZINC000299825331 562883516 /nfs/dbraw/zinc/88/35/16/562883516.db2.gz CCIQVHZGLRYWLM-GDLZYMKVSA-N 1 0 608.787 6.156 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC[C@H]4C[NH+]4CCCC4)c4ccc(C)cc34)cc2)c1C ZINC000299825334 562883554 /nfs/dbraw/zinc/88/35/54/562883554.db2.gz CCIQVHZGLRYWLM-LJAQVGFWSA-N 1 0 608.787 6.156 1 0 KKAFRO CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2CN1)C[N@@H+]1CC[C@@](C)(c2cccc(Br)c2)[C@@H](C)C1 ZINC000299826767 562883979 /nfs/dbraw/zinc/88/39/79/562883979.db2.gz DZFUHLKZDAXDNL-ZDGQEMPXSA-N 1 0 527.547 5.700 1 0 KKAFRO C/C=C/c1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)N[C@@H]2CC[NH2+]C2)ccc1C ZINC000299831289 562885522 /nfs/dbraw/zinc/88/55/22/562885522.db2.gz JBGPTABXBVOSBM-OUSLXHSISA-N 1 0 535.610 5.533 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)ccc1OC(C)=O ZINC000299835204 562886750 /nfs/dbraw/zinc/88/67/50/562886750.db2.gz MAMFJAYMYAHCFZ-UHFFFAOYSA-N 1 0 512.650 6.513 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299836108 562887006 /nfs/dbraw/zinc/88/70/06/562887006.db2.gz GJBVPNNONLFTIS-UHFFFAOYSA-N 1 0 687.772 7.627 1 0 KKAFRO Cc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)c(C2CC2)o1 ZINC000299837745 562887599 /nfs/dbraw/zinc/88/75/99/562887599.db2.gz PKJCNVBPDXZMDO-RUZDIDTESA-N 1 0 527.587 5.170 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3OC)ccc2OC)c1 ZINC000299838431 562887865 /nfs/dbraw/zinc/88/78/65/562887865.db2.gz QOOLNTNZYXDWAM-UHFFFAOYSA-N 1 0 552.671 6.772 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299840201 562888453 /nfs/dbraw/zinc/88/84/53/562888453.db2.gz VVVFGSNAURREBW-UHFFFAOYSA-N 1 0 677.708 7.130 1 0 KKAFRO CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCCN1CC[NH+](C)CC1 ZINC000299841440 562888886 /nfs/dbraw/zinc/88/88/86/562888886.db2.gz ZVPQXTXGWGZIEE-NTCAYCPXSA-N 1 0 768.359 6.440 1 0 KKAFRO O=S(=O)(NC[C@H]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc3[C@@H]2Cc2cccnc2)CC1)c1ccccc1 ZINC000299847478 562889951 /nfs/dbraw/zinc/88/99/51/562889951.db2.gz QVZPBSHMFRXZBI-HKJOVFRDSA-N 1 0 521.702 5.236 1 0 KKAFRO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000299854716 562891412 /nfs/dbraw/zinc/89/14/12/562891412.db2.gz BDDKHBLUGIGPDV-UHFFFAOYSA-N 1 0 528.603 5.548 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299854677 562891418 /nfs/dbraw/zinc/89/14/18/562891418.db2.gz AGELYORQPXWSGA-HKBQPEDESA-N 1 0 501.671 5.837 1 0 KKAFRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 ZINC000299854723 562891462 /nfs/dbraw/zinc/89/14/62/562891462.db2.gz ALAFKUKJPKPIMA-JUMFHWHPSA-N 1 0 530.631 6.079 1 0 KKAFRO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299855406 562891647 /nfs/dbraw/zinc/89/16/47/562891647.db2.gz DYNDXOFIDKOAGV-UHFFFAOYSA-N 1 0 587.493 6.081 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)O[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299857464 562892256 /nfs/dbraw/zinc/89/22/56/562892256.db2.gz CYITUYJLFXQKHZ-JOCHJYFZSA-N 1 0 585.604 5.217 1 0 KKAFRO COc1cc2oc(-c3ccc(OCC(=O)NCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299866642 562894697 /nfs/dbraw/zinc/89/46/97/562894697.db2.gz PGNONTQJYACCOC-UHFFFAOYSA-N 1 0 700.232 7.734 1 0 KKAFRO O=C1[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)N(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc21 ZINC000299867868 562894969 /nfs/dbraw/zinc/89/49/69/562894969.db2.gz YYGFRZOBIIQIRV-LDLOPFEMSA-N 1 0 725.871 6.838 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871133 562895662 /nfs/dbraw/zinc/89/56/62/562895662.db2.gz XVJDERCZWIMHBM-JOCHJYFZSA-N 1 0 665.532 5.906 1 0 KKAFRO Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871943 562895773 /nfs/dbraw/zinc/89/57/73/562895773.db2.gz ZNPQXKOONXEYBU-RUZDIDTESA-N 1 0 520.599 6.075 1 0 KKAFRO CCCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CCCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848909 562896451 /nfs/dbraw/zinc/89/64/51/562896451.db2.gz BHEDBEVTRMAILO-UHFFFAOYSA-N 1 0 543.715 7.760 1 0 KKAFRO Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4c(-c5ccccc5)cn(C)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377848937 562896517 /nfs/dbraw/zinc/89/65/17/562896517.db2.gz QAUDGRZDZRXFBN-UHFFFAOYSA-N 1 0 550.666 6.483 1 0 KKAFRO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3[N@H+](C)C[C@H]2c1ccccc1)OCO4 ZINC000473085186 562896940 /nfs/dbraw/zinc/89/69/40/562896940.db2.gz VOXGFSUNUJCBDG-UIOOFZCWSA-N 1 0 570.483 7.107 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCC[NH+]2CCCCC2)COC1=O ZINC000473086084 562897011 /nfs/dbraw/zinc/89/70/11/562897011.db2.gz GULGXDWDHIZCCW-DEICMYPCSA-N 1 0 707.817 6.120 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCC[NH+]2CCN(C)CC2)COC1=O ZINC000473087601 562897204 /nfs/dbraw/zinc/89/72/04/562897204.db2.gz KUZYQJWAYACNPP-MTZNQXOKSA-N 1 0 736.859 5.271 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3Cl)c(=O)n2C)cc1F ZINC000473088596 562897364 /nfs/dbraw/zinc/89/73/64/562897364.db2.gz ISZWBTOGMFFOKI-UHFFFAOYSA-N 1 0 689.188 5.895 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3C(F)(F)F)c(=O)n2C)cc1F ZINC000473093014 562897779 /nfs/dbraw/zinc/89/77/79/562897779.db2.gz SRWFMNHGVGVETC-UHFFFAOYSA-N 1 0 721.752 7.745 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCCc3cn(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl ZINC000473105908 562898203 /nfs/dbraw/zinc/89/82/03/562898203.db2.gz TZFNGJBTMKSJFD-UHFFFAOYSA-N 1 0 518.492 6.290 1 0 KKAFRO C[C@@H]1Cc2ccccc2C2(CC[NH+](CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 ZINC000473108538 562898428 /nfs/dbraw/zinc/89/84/28/562898428.db2.gz NARPDGATCGVANV-GOSISDBHSA-N 1 0 528.537 6.073 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 ZINC000473111603 562898629 /nfs/dbraw/zinc/89/86/29/562898629.db2.gz AQTIPNCIMOFYSH-SDUSCBPUSA-N 1 0 503.609 5.062 1 0 KKAFRO COc1cc2oc(-c3ccc(OCCCN4CC[NH+](Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114904 562899005 /nfs/dbraw/zinc/89/90/05/562899005.db2.gz PIWGCLAVDQQKGT-UHFFFAOYSA-N 1 0 544.648 5.073 1 0 KKAFRO CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)C[C@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129475 562900016 /nfs/dbraw/zinc/90/00/16/562900016.db2.gz HCEKERAQUTWNGZ-XIWYQXSXSA-N 1 0 599.791 7.996 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000473134834 562900534 /nfs/dbraw/zinc/90/05/34/562900534.db2.gz IREVCLFNTSPJTR-XOSCKEEYSA-N 1 0 501.667 5.049 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2cccc(OC)c2)C(C)C)C(C)C)ccc1OC ZINC000473144200 562901219 /nfs/dbraw/zinc/90/12/19/562901219.db2.gz ACKMKOCRRKACFF-BBXFGWPUSA-N 1 0 628.895 6.060 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2cc(F)ccc2F)C(C)C)C(C)C)ccc1OC ZINC000473145872 562901317 /nfs/dbraw/zinc/90/13/17/562901317.db2.gz BPWLWPMMULJGMY-VRDMDDAYSA-N 1 0 634.849 6.329 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)ccc1OC(F)(F)F ZINC000473146720 562901364 /nfs/dbraw/zinc/90/13/64/562901364.db2.gz CWCOWNRFOFLJPX-UHFFFAOYSA-N 1 0 612.649 7.662 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2)C(C)C)C(C)C)ccc1OC ZINC000473151221 562901623 /nfs/dbraw/zinc/90/16/23/562901623.db2.gz OIMNBUDLLBTAKJ-BYPQZWCFSA-N 1 0 635.684 6.306 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902555 /nfs/dbraw/zinc/90/25/55/562902555.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 1 0 577.169 5.891 1 0 KKAFRO CCN(c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000473179732 562903436 /nfs/dbraw/zinc/90/34/36/562903436.db2.gz NYIQADRVZZYULE-GDLZYMKVSA-N 1 0 588.768 6.249 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CCCC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473199099 562903749 /nfs/dbraw/zinc/90/37/49/562903749.db2.gz XTTWQCDADHLMSV-UILWBTOOSA-N 1 0 536.116 6.597 1 0 KKAFRO O=C([O-])C[NH+]1CCC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215498 562904046 /nfs/dbraw/zinc/90/40/46/562904046.db2.gz SKCXZBWOEKNYLV-ZZFHCKFTSA-N 1 0 518.746 6.217 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000473243946 562904780 /nfs/dbraw/zinc/90/47/80/562904780.db2.gz FVOCMDWBLIDMCB-QFIPXVFZSA-N 1 0 516.690 6.471 1 0 KKAFRO CCOC(=O)CCCCCCOc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608976 562905518 /nfs/dbraw/zinc/90/55/18/562905518.db2.gz NEUPPLFOBVIXPQ-JGCGQSQUSA-N 1 0 602.772 6.055 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609887 562905703 /nfs/dbraw/zinc/90/57/03/562905703.db2.gz WQZBBYANCHFELC-WJOKGBTCSA-N 1 0 556.751 5.060 1 0 KKAFRO CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccccc4)C(C)(C)C)ccc3C2)cc1 ZINC000474609996 562905787 /nfs/dbraw/zinc/90/57/87/562905787.db2.gz YSXOQVIXVIMTHG-UHFFFAOYSA-N 1 0 533.738 5.027 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cc(-c5ccccc5)ccn4)cc32)c1C ZINC000653673716 562906235 /nfs/dbraw/zinc/90/62/35/562906235.db2.gz SMYJDCYSALMPRK-OOAXWGSJSA-N 1 0 533.676 5.925 1 0 KKAFRO CC[NH+](CC)Cc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1 ZINC000653676024 562906245 /nfs/dbraw/zinc/90/62/45/562906245.db2.gz KOTYDNCCCIUNDV-UHFFFAOYSA-N 1 0 531.056 6.205 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706302 562907794 /nfs/dbraw/zinc/90/77/94/562907794.db2.gz AIPWFTRUBOCVJQ-GDLZYMKVSA-N 1 0 626.633 5.098 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccccc3-c3ccccc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706334 562907853 /nfs/dbraw/zinc/90/78/53/562907853.db2.gz OFMQSYUAEBSETD-UUWRZZSWSA-N 1 0 633.841 5.458 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CC[NH+](C)C)c1cccc(Br)c1 ZINC000653714254 562908379 /nfs/dbraw/zinc/90/83/79/562908379.db2.gz JEEVMYLVUPBCFP-YTTGMZPUSA-N 1 0 586.530 6.534 1 0 KKAFRO c1ccc2c(c1)Sc1cccnc1N2CCCCCC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000653715470 562908496 /nfs/dbraw/zinc/90/84/96/562908496.db2.gz QKQBZIDKURWDHD-UHFFFAOYSA-N 1 0 502.684 5.791 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3cc(COc4ccc(OC(F)(F)F)cc4)nn3)cc1)CC2 ZINC000653717542 562908576 /nfs/dbraw/zinc/90/85/76/562908576.db2.gz PPKSHBCIGCDTAM-UHFFFAOYSA-N 1 0 554.569 5.363 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653721935 562908756 /nfs/dbraw/zinc/90/87/56/562908756.db2.gz NGNCEDUPNCXOQD-UHFFFAOYSA-N 1 0 721.229 8.948 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653721911 562908788 /nfs/dbraw/zinc/90/87/88/562908788.db2.gz FBMOENFWKWSJIY-UHFFFAOYSA-N 1 0 707.202 8.558 1 0 KKAFRO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653723600 562908918 /nfs/dbraw/zinc/90/89/18/562908918.db2.gz HXJQVTYUJHGTEG-UHFFFAOYSA-N 1 0 621.741 7.891 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@H](c2cc(OC3CC3)c(Nc3ncc(Cl)c(Nc4cn(C)nc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000653736177 562909713 /nfs/dbraw/zinc/90/97/13/562909713.db2.gz WSOBXSNTAZSKJF-HZCBDIJESA-N 1 0 630.259 6.750 1 0 KKAFRO CN(c1ccc(OCCN2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653737741 562909863 /nfs/dbraw/zinc/90/98/63/562909863.db2.gz NDXKOVCFXNMDSY-UHFFFAOYSA-N 1 0 544.143 6.545 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@@H]([NH2+]C(C)C)CC1 ZINC000653740749 562910185 /nfs/dbraw/zinc/91/01/85/562910185.db2.gz XIXFJPIIYYRJSO-OYRHEFFESA-N 1 0 616.232 6.407 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000653757844 562911092 /nfs/dbraw/zinc/91/10/92/562911092.db2.gz ONQHIKASFHKSEY-AUUYALOUSA-N 1 0 582.708 5.852 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccc(C(F)(F)F)cc4)cc32)c1C ZINC000653758342 562911144 /nfs/dbraw/zinc/91/11/44/562911144.db2.gz OYSZOTKWWWVBEF-BWAHOGKJSA-N 1 0 590.650 6.067 1 0 KKAFRO CO[C@H]1CC[N@H+](Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762404 562911451 /nfs/dbraw/zinc/91/14/51/562911451.db2.gz WYUKVGVZYSCCDJ-SANMLTNESA-N 1 0 559.066 5.584 1 0 KKAFRO CC[NH+](CC)Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)cc1 ZINC000653780836 562912140 /nfs/dbraw/zinc/91/21/40/562912140.db2.gz XQFRIIVHUXQFHB-UHFFFAOYSA-N 1 0 508.548 6.878 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781586 562912150 /nfs/dbraw/zinc/91/21/50/562912150.db2.gz IBNQBKRLBKSIKI-CZNDPXEESA-N 1 0 501.654 5.405 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccccc1Br ZINC000653785889 562912362 /nfs/dbraw/zinc/91/23/62/562912362.db2.gz HQTRXMBWSZFJAY-XZWHSSHBSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccc(Br)cc1 ZINC000653785881 562912370 /nfs/dbraw/zinc/91/23/70/562912370.db2.gz HKSOILGKUCEHJH-IHLOFXLRSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccc(Br)cc1 ZINC000653785883 562912383 /nfs/dbraw/zinc/91/23/83/562912383.db2.gz HKSOILGKUCEHJH-LOYHVIPDSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccc(Br)cc1 ZINC000653785882 562912385 /nfs/dbraw/zinc/91/23/85/562912385.db2.gz HKSOILGKUCEHJH-KYJUHHDHSA-N 1 0 544.517 5.323 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)cc2)CC1 ZINC000653786072 562912406 /nfs/dbraw/zinc/91/24/06/562912406.db2.gz JPSUCMIPAVEJSU-UHFFFAOYSA-N 1 0 520.012 5.557 1 0 KKAFRO CCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](CC)CC)cc2)cc1 ZINC000653786125 562912425 /nfs/dbraw/zinc/91/24/25/562912425.db2.gz ZWJQBJYHVXBISK-ACHIHNKUSA-N 1 0 637.866 5.142 1 0 KKAFRO C[C@]12CCN(C(=O)C[n+]3cn(Cc4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793902 562912845 /nfs/dbraw/zinc/91/28/45/562912845.db2.gz KMNYKNGRLZKIHW-KKLWWLSJSA-N 1 0 592.561 6.276 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653794000 562912862 /nfs/dbraw/zinc/91/28/62/562912862.db2.gz ZIDUZDKVGUJJJO-PXLJZGITSA-N 1 0 527.692 5.822 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653793999 562912873 /nfs/dbraw/zinc/91/28/73/562912873.db2.gz ZIDUZDKVGUJJJO-OIDHKYIRSA-N 1 0 527.692 5.822 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794526 562912971 /nfs/dbraw/zinc/91/29/71/562912971.db2.gz SETFSSCHFHLHLA-FZNHDDJXSA-N 1 0 555.746 6.439 1 0 KKAFRO Cc1n(Cc2ccc(C)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795189 562912977 /nfs/dbraw/zinc/91/29/77/562912977.db2.gz ZIFSCDFCNGANHT-XDSPJLLDSA-N 1 0 541.719 6.130 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795169 562913007 /nfs/dbraw/zinc/91/30/07/562913007.db2.gz USDIWJGYLJYDDN-GPOMZPHUSA-N 1 0 606.588 6.585 1 0 KKAFRO CCn1c(C(=O)NCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000653799719 562913374 /nfs/dbraw/zinc/91/33/74/562913374.db2.gz ZMUCFXCNCANRBX-MUUNZHRXSA-N 1 0 513.767 5.780 1 0 KKAFRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000653802201 562913466 /nfs/dbraw/zinc/91/34/66/562913466.db2.gz LIHYUCWMNKTEOX-UHFFFAOYSA-N 1 0 525.568 5.266 1 0 KKAFRO Cc1ccc(-c2cn(-c3ccc(C[NH+]4CCCCC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653803703 562913538 /nfs/dbraw/zinc/91/35/38/562913538.db2.gz MEFPRDBEPIGDGN-UHFFFAOYSA-N 1 0 502.626 5.824 1 0 KKAFRO Cc1ccc(-c2nnc(-c3ccc(CN4CCN(CC[NH3+])CC4)c(C(F)(F)F)c3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653805890 562913638 /nfs/dbraw/zinc/91/36/38/562913638.db2.gz ZCECJELGEOTJQW-UHFFFAOYSA-N 1 0 615.664 5.403 1 0 KKAFRO COC(=O)c1cc2cc(COc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000653823242 562914293 /nfs/dbraw/zinc/91/42/93/562914293.db2.gz MYHREBUEUYXJGH-VWLOTQADSA-N 1 0 609.649 5.644 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823877 562914343 /nfs/dbraw/zinc/91/43/43/562914343.db2.gz XCUHFBQSGFOCNR-IBGZPJMESA-N 1 0 590.559 7.403 1 0 KKAFRO O=c1c(=O)c(N[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)c1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653842858 562914973 /nfs/dbraw/zinc/91/49/73/562914973.db2.gz PDZWACLMJXTIDC-QZTJIDSGSA-N 1 0 503.487 5.141 1 0 KKAFRO C[NH+](C)C1(C(=O)Nc2cccc(-c3cccs3)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653842888 562914995 /nfs/dbraw/zinc/91/49/95/562914995.db2.gz YZEBEKHXMANRDT-UHFFFAOYSA-N 1 0 500.672 5.105 1 0 KKAFRO C[NH+](C)CCCN1c2ccccc2CCc2ccc(CCCOCCCN3c4ccccc4CCc4ccccc43)cc21 ZINC000653849313 562915405 /nfs/dbraw/zinc/91/54/05/562915405.db2.gz UIWJBTVZWDDMCU-UHFFFAOYSA-N 1 0 573.825 8.151 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ccn1 ZINC000653853397 562915650 /nfs/dbraw/zinc/91/56/50/562915650.db2.gz XNFKLCAYHHACLE-UHFFFAOYSA-N 1 0 557.552 6.276 1 0 KKAFRO Cn1ncc(Br)c1-c1ccc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)cc1 ZINC000653857023 562915788 /nfs/dbraw/zinc/91/57/88/562915788.db2.gz MITBNALWWBLJIK-UHFFFAOYSA-N 1 0 508.247 5.165 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@@H]4CCC[N@@H+]4C)c(F)c3)c2cc1OC ZINC000653864040 562916102 /nfs/dbraw/zinc/91/61/02/562916102.db2.gz KPUCSRWYMCPNNM-IRLDBZIGSA-N 1 0 592.115 6.650 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(N[C@H]3CC[C@@H](O)CC3)c2)CC1 ZINC000653864107 562916175 /nfs/dbraw/zinc/91/61/75/562916175.db2.gz COPINYWCESNOFK-OGLKEZPNSA-N 1 0 574.676 5.151 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1 ZINC000653866761 562916232 /nfs/dbraw/zinc/91/62/32/562916232.db2.gz RKXGEBJVNGSICG-UHFFFAOYSA-N 1 0 550.107 5.045 1 0 KKAFRO OCCN1CC[NH+](C[C@@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866793 562916266 /nfs/dbraw/zinc/91/62/66/562916266.db2.gz VVXQETWWQMXUFT-SANMLTNESA-N 1 0 536.076 5.305 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(F)c(F)c3)nn2)cc1F ZINC000653882387 562916855 /nfs/dbraw/zinc/91/68/55/562916855.db2.gz RUBABXRNYWJPGD-UHFFFAOYSA-N 1 0 632.643 6.541 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653887110 562917032 /nfs/dbraw/zinc/91/70/32/562917032.db2.gz NDLKIWGHIOIRPE-UHFFFAOYSA-N 1 0 624.717 6.817 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3F)nn2)cc1F ZINC000653899355 562917473 /nfs/dbraw/zinc/91/74/73/562917473.db2.gz FUHNCAMXHCWTCS-UHFFFAOYSA-N 1 0 614.653 6.402 1 0 KKAFRO Cn1ncc(Cl)c1-c1c(Cl)c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)n(C)c1Cl ZINC000653912869 562917763 /nfs/dbraw/zinc/91/77/63/562917763.db2.gz KVAVJEATGWWGCE-UHFFFAOYSA-N 1 0 535.690 5.701 1 0 KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532205 565137632 /nfs/dbraw/zinc/13/76/32/565137632.db2.gz WWQAFEIKGOBHTG-FNUGPXMYSA-N 1 0 631.810 5.016 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCC3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532552 565137850 /nfs/dbraw/zinc/13/78/50/565137850.db2.gz KQTDFGGKAPHBAY-BRANVLFOSA-N 1 0 603.844 7.611 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CCCC(C)C)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532530 565137914 /nfs/dbraw/zinc/13/79/14/565137914.db2.gz GUIOJHIMIUQTSG-JFCXEZHISA-N 1 0 605.860 7.857 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O ZINC000085571435 565145995 /nfs/dbraw/zinc/14/59/95/565145995.db2.gz XJUFFBHQLFYHHS-SNQRFPKHSA-N 1 0 617.786 8.007 1 0 biogenic,in-vitro KKAFRO CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@H]2[C@@H](O)c4cc(OC)c(C[NH2+]C)cc4O[C@H]2CCCOC)[C@@H]3O)cc1O ZINC000085592862 565148411 /nfs/dbraw/zinc/14/84/11/565148411.db2.gz HERCRILIJZGNFQ-MWIFBORNSA-N 1 0 699.841 6.234 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC3CCCC3)c2)c1 ZINC000085632251 565165891 /nfs/dbraw/zinc/16/58/91/565165891.db2.gz NTCLQENKIWXCMU-MYWKAQKNSA-N 1 0 641.785 5.715 1 0 biogenic,in-vitro KKAFRO COc1ccc(C=O)cc1Oc1ccc(C[C@@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CC[N@H+]2C)cc1 ZINC000085850886 565170356 /nfs/dbraw/zinc/17/03/56/565170356.db2.gz ZYINZEUJUZRZKV-MUUNZHRXSA-N 1 0 636.701 6.229 1 0 biogenic,in-vitro KKAFRO COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2C2=C1[C@H]1C(C)=CC(C)(C)[NH2+][C@H]1C=C2 ZINC000028823361 581097621 /nfs/dbraw/zinc/09/76/21/581097621.db2.gz CZOFJQFQALBETE-PJZBNYDKSA-N 1 0 505.586 5.730 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3ccc(OCC4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000042890199 581098216 /nfs/dbraw/zinc/09/82/16/581098216.db2.gz OPJOIUDMJCRLNO-KRWDZBQOSA-N 1 0 558.626 6.065 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3C[NH2+]4)cc2N1c1c(Cl)cccc1Cl ZINC000026671050 581099521 /nfs/dbraw/zinc/09/95/21/581099521.db2.gz PNYSWMQVUBFTDP-ZIAGYGMSSA-N 1 0 534.419 5.730 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)C1(CCOC)CCCCC1)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596809 291932189 /nfs/dbraw/zinc/93/21/89/291932189.db2.gz GZPWDGYUMMOGBC-POURPWNDSA-N 1 0 575.787 6.114 1 0 biogenic,in-vitro KKAFRO CC[NH2+]C1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OCCCO)c2)CO5)CCCCC1 ZINC000085567470 291939814 /nfs/dbraw/zinc/93/98/14/291939814.db2.gz HUHNWZDYMZMCLM-BUEDQJMWSA-N 1 0 662.780 5.211 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)Cc1ccccc1 ZINC000085571356 291945944 /nfs/dbraw/zinc/94/59/44/291945944.db2.gz AFFGQTHZVXLSAS-SHONIDKZSA-N 1 0 707.911 9.476 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](C[C@H](O)CCc2cccc(O)c2)c2cc[nH]c2C1 ZINC000085626885 519096661 /nfs/dbraw/zinc/09/66/61/519096661.db2.gz KSMMOHVHFCHSHK-LTFCEJNDSA-N 1 0 755.912 6.508 1 0 biogenic,in-vitro KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000001543379 561677131 /nfs/dbraw/zinc/67/71/31/561677131.db2.gz PAJATZREFKABGD-XMMPIXPASA-N 1 0 523.504 6.761 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546524 561677270 /nfs/dbraw/zinc/67/72/70/561677270.db2.gz ZXHYOTVTZJSURW-QFIPXVFZSA-N 1 0 522.885 6.484 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546526 561677272 /nfs/dbraw/zinc/67/72/72/561677272.db2.gz KTYIETCDDNNOLD-RUZDIDTESA-N 1 0 546.520 6.618 1 0 KKAFRO CCOc1ccc(Cc2nc3c(cc(Br)c(N)c3Br)n2CC[NH+](CC)CC)cc1 ZINC000001657840 561678823 /nfs/dbraw/zinc/67/88/23/561678823.db2.gz PYANKEVKPLBIOV-UHFFFAOYSA-N 1 0 524.301 5.475 1 0 KKAFRO O=C1c2ccccc2C(=O)N1Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000003639558 561682100 /nfs/dbraw/zinc/68/21/00/561682100.db2.gz JCECGMQOWWZRCB-UHFFFAOYSA-N 1 0 519.432 5.655 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1 ZINC000003815536 561682913 /nfs/dbraw/zinc/68/29/13/561682913.db2.gz JKSJVFXGQAODGT-UHFFFAOYSA-N 1 0 525.480 6.762 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]C[C@H]1CCCO1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000003926278 561686653 /nfs/dbraw/zinc/68/66/53/561686653.db2.gz NXIHJWJQJIGCQT-IFVWFWILSA-N 1 0 600.553 7.149 1 0 KKAFRO CCCCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000003929648 561687080 /nfs/dbraw/zinc/68/70/80/561687080.db2.gz WMCJTEMIOYSTDL-RUZDIDTESA-N 1 0 563.783 7.190 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3c(c2)NCCC3)cc1 ZINC000003931801 561687643 /nfs/dbraw/zinc/68/76/43/561687643.db2.gz UXRWZYYMQOXLII-PPTMTGTBSA-N 1 0 516.682 5.701 1 0 KKAFRO O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000003940626 561689349 /nfs/dbraw/zinc/68/93/49/561689349.db2.gz VWBQUAMKHIBZSG-JGCGQSQUSA-N 1 0 622.854 5.442 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003993589 561693560 /nfs/dbraw/zinc/69/35/60/561693560.db2.gz WSACYBAWHVTHKU-OAQYLSRUSA-N 1 0 549.083 6.830 1 0 KKAFRO COc1ccc(CNc2nccc(-c3[nH]c(C4CC[NH2+]CC4)nc3-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004617901 561695106 /nfs/dbraw/zinc/69/51/06/561695106.db2.gz BAEFMUUEJBUVJL-UHFFFAOYSA-N 1 0 508.548 5.640 1 0 KKAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCOc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000004963480 561695553 /nfs/dbraw/zinc/69/55/53/561695553.db2.gz RAJHPEZTXURJCC-UHFFFAOYSA-N 1 0 606.532 5.185 1 0 KKAFRO Cn1cc(C(=O)NCC[NH+](C)CCNC(=O)c2cn(C)c3c2ccc2cc(Cl)ccc32)c2ccc3cc(Cl)ccc3c21 ZINC000005582875 561697308 /nfs/dbraw/zinc/69/73/08/561697308.db2.gz LBAOWDSPSUKVTH-UHFFFAOYSA-N 1 0 600.550 6.375 1 0 KKAFRO CCCCCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852740 561699694 /nfs/dbraw/zinc/69/96/94/561699694.db2.gz WDEXZZOYQPTUJT-UHFFFAOYSA-O 1 0 557.712 5.129 1 0 KKAFRO CC[C@]1(c2ccc3c(c2)OCO3)C[N+](=O)O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001978 561700796 /nfs/dbraw/zinc/70/07/96/561700796.db2.gz PZBDNPXRMUGYMJ-QNRWOPMTSA-N 1 0 543.616 5.403 1 0 KKAFRO CC[C@]1(c2ccc3c(c2)OCO3)C[N+](=O)O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001980 561700804 /nfs/dbraw/zinc/70/08/04/561700804.db2.gz PZBDNPXRMUGYMJ-XHPANXIASA-N 1 0 543.616 5.403 1 0 KKAFRO COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc(OC)c1OC ZINC000006010004 561701783 /nfs/dbraw/zinc/70/17/83/561701783.db2.gz SREDURSYPQFHFS-QWXPEDGLSA-N 1 0 521.742 6.494 3 0 KKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)cc12 ZINC000013454384 561713507 /nfs/dbraw/zinc/71/35/07/561713507.db2.gz MUONKNLCAXBBSN-UHFFFAOYSA-N 1 0 517.069 6.875 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586102 561705946 /nfs/dbraw/zinc/70/59/46/561705946.db2.gz GILJITCPTQRDDJ-SPOSYKFASA-N 1 0 603.084 8.229 3 0 KKAFRO c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000008690093 561707656 /nfs/dbraw/zinc/70/76/56/561707656.db2.gz SDNPBPTXZWQBPW-TWXDRBSDSA-N 1 0 518.704 8.437 3 0 KKAFRO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435672 553960161 /nfs/dbraw/zinc/96/01/61/553960161.db2.gz REMYYYICRNOILH-VZPHFUHGSA-N 1 0 507.675 5.218 2 0 KKAFRO CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000010339556 561709316 /nfs/dbraw/zinc/70/93/16/561709316.db2.gz JKQCQYBXDQPJNC-LJAQVGFWSA-N 1 0 502.703 6.761 1 0 in-vitro KKAFRO c1c(-c2ccc(-c3ccccc3)cc2)noc1N(CCC[NH+]1CCCCCC1)Cc1ccc2c(c1)OCO2 ZINC000013437531 561712055 /nfs/dbraw/zinc/71/20/55/561712055.db2.gz UILOKJWSLCQNHN-UHFFFAOYSA-N 1 0 509.650 7.010 1 0 KKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccc(F)cc54)CC3)CC2)cc1 ZINC000013440418 561712501 /nfs/dbraw/zinc/71/25/01/561712501.db2.gz PWNUURZYHNAADX-UHFFFAOYSA-N 1 0 504.715 7.039 1 0 KKAFRO CN(C)C(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440442 561712654 /nfs/dbraw/zinc/71/26/54/561712654.db2.gz BNSBZDKOVZMVMW-UHFFFAOYSA-N 1 0 529.750 5.579 1 0 KKAFRO CC(=O)c1cccc(NC(=O)Nc2cccc(C(N)=O)c2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475864 561714659 /nfs/dbraw/zinc/71/46/59/561714659.db2.gz LKKLZPRTDLZFAX-UHFFFAOYSA-N 1 0 502.590 5.226 1 0 KKAFRO COC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)c(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475838 561714729 /nfs/dbraw/zinc/71/47/29/561714729.db2.gz AZNIXHOAQCCYOH-UHFFFAOYSA-N 1 0 505.590 5.720 1 0 KKAFRO CCOc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000013478808 561714955 /nfs/dbraw/zinc/71/49/55/561714955.db2.gz FUJROZNTHVDCOK-UHFFFAOYSA-N 1 0 523.464 6.330 1 0 KKAFRO Cc1ccccc1C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000013479387 561715006 /nfs/dbraw/zinc/71/50/06/561715006.db2.gz SDPKOURSOIKXBE-AREMUKBSSA-N 1 0 511.131 6.322 1 0 KKAFRO O=C(C1CCCCC1)N1C[C@H](C[NH+]2CCC(N(CC3CC3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 ZINC000013487342 561715151 /nfs/dbraw/zinc/71/51/51/561715151.db2.gz DBYLVFWCKXCJGF-MFMCTBQISA-N 1 0 500.731 5.585 1 0 KKAFRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487766 561715288 /nfs/dbraw/zinc/71/52/88/561715288.db2.gz IAGLKMDFSLVFID-UHFFFAOYSA-N 1 0 509.242 5.456 1 0 in-vitro KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489498 561715916 /nfs/dbraw/zinc/71/59/16/561715916.db2.gz WAHSFNMXOHAFIQ-SVBPBHIXSA-N 1 0 507.421 5.060 1 0 KKAFRO CC(C)S(=O)(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000013492457 561716221 /nfs/dbraw/zinc/71/62/21/561716221.db2.gz LBXFDRUJLUIFOC-UHFFFAOYSA-N 1 0 536.713 5.720 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccc(O)cc32)CC1 ZINC000013527113 561717373 /nfs/dbraw/zinc/71/73/73/561717373.db2.gz QBRLVMQBZIFWTB-WEVVVXLNSA-N 1 0 500.470 6.360 1 0 in-vitro KKAFRO CC(C)(C)c1ccc(C2=Cc3ccc(NC(=O)Nc4ccc(Cl)cc4Cl)cc3C3=[NH+]CCCN23)cc1 ZINC000013555270 561718580 /nfs/dbraw/zinc/71/85/80/561718580.db2.gz VYVVPYBUDXCHFN-UHFFFAOYSA-N 1 0 519.476 7.899 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH2+]C(C)C)C3CCCC3)c2=O)c1F ZINC000013580600 561719922 /nfs/dbraw/zinc/71/99/22/561719922.db2.gz ADJBPNHWCPTGMK-DEOSSOPVSA-N 1 0 529.603 5.016 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000013587842 561720924 /nfs/dbraw/zinc/72/09/24/561720924.db2.gz HGDNILFTURGNIL-AREMUKBSSA-N 1 0 500.393 5.235 1 0 KKAFRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2)c1Cl ZINC000013643411 561722333 /nfs/dbraw/zinc/72/23/33/561722333.db2.gz NDVCFINRSAXDMP-UHFFFAOYSA-N 1 0 514.453 5.665 1 0 KKAFRO COc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643458 561722457 /nfs/dbraw/zinc/72/24/57/561722457.db2.gz KGSVUDYRNDYYMD-UHFFFAOYSA-N 1 0 521.485 5.244 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccc(Cl)cc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646525 561722543 /nfs/dbraw/zinc/72/25/43/561722543.db2.gz ZLQITWMSLIPBGT-UHFFFAOYSA-N 1 0 517.482 6.316 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000013661228 561723493 /nfs/dbraw/zinc/72/34/93/561723493.db2.gz UJMMJZCCXLJDEZ-VWLOTQADSA-N 1 0 506.687 6.227 3 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661002 561723507 /nfs/dbraw/zinc/72/35/07/561723507.db2.gz PIGIYURZSILWDZ-AREMUKBSSA-N 1 0 527.665 5.220 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000013661187 561723511 /nfs/dbraw/zinc/72/35/11/561723511.db2.gz PODNXBRQMKYVOI-QPPBQGQZSA-N 1 0 535.681 6.526 3 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(Nc3cc[nH+]cc3)c2)[C@H]1O ZINC000013673071 561723772 /nfs/dbraw/zinc/72/37/72/561723772.db2.gz LZKSHHMDDYOFQT-LOYHVIPDSA-N 1 0 535.754 6.538 1 0 KKAFRO O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675670 561724070 /nfs/dbraw/zinc/72/40/70/561724070.db2.gz NFWZCWJFWPWUFN-UHFFFAOYSA-N 1 0 503.090 6.970 1 0 KKAFRO C[C@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759423 561727430 /nfs/dbraw/zinc/72/74/30/561727430.db2.gz SSJMCDCGDWFBTC-XMMPIXPASA-N 1 0 502.728 5.767 1 0 KKAFRO Fc1ccc(C(OCC[NH2+]C[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780742 561729170 /nfs/dbraw/zinc/72/91/70/561729170.db2.gz YOXNDJORNITOMF-MUUNZHRXSA-N 1 0 500.589 6.128 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781687 561729435 /nfs/dbraw/zinc/72/94/35/561729435.db2.gz GHSNSSFMFKJXPT-LJAQVGFWSA-N 1 0 542.786 6.143 1 0 KKAFRO C[NH+](C)CCC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781994 561729552 /nfs/dbraw/zinc/72/95/52/561729552.db2.gz NKOVHEUFZWUOGZ-UHFFFAOYSA-N 1 0 516.526 5.753 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1SCCC[NH+](CC)CC)ncnc2Nc1cccc(Br)c1 ZINC000013806951 561731467 /nfs/dbraw/zinc/73/14/67/561731467.db2.gz DHTCKGXFZBUXRM-UHFFFAOYSA-N 1 0 514.493 6.084 1 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812902 561731760 /nfs/dbraw/zinc/73/17/60/561731760.db2.gz UOFOKNBGWSHUMG-HXUOFSJXSA-N 1 0 510.603 7.789 3 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2F)c2ccc(F)cc2F)CC1 ZINC000013824899 561732776 /nfs/dbraw/zinc/73/27/76/561732776.db2.gz HPUPORXOVFFDTA-UHFFFAOYSA-N 1 0 529.574 6.767 1 0 KKAFRO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013829991 561733218 /nfs/dbraw/zinc/73/32/18/561733218.db2.gz LIPXDRRTIGUPAP-AREMUKBSSA-N 1 0 523.540 5.930 1 0 KKAFRO CN(C)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834295 561734097 /nfs/dbraw/zinc/73/40/97/561734097.db2.gz OUAGFELHOPVSSU-UHFFFAOYSA-N 1 0 500.664 6.436 1 0 KKAFRO CCSCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834311 561734160 /nfs/dbraw/zinc/73/41/60/561734160.db2.gz XXSHGPGEHZSAPF-UHFFFAOYSA-N 1 0 531.743 7.623 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)C)nc2n1 ZINC000013862913 561734998 /nfs/dbraw/zinc/73/49/98/561734998.db2.gz CRQMGAADPYRSGJ-UHFFFAOYSA-N 1 0 504.466 5.672 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCc1ccccc1)(C(=O)OCCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000014096253 561736401 /nfs/dbraw/zinc/73/64/01/561736401.db2.gz FOOAGQZSUKCRQH-NJHZRGNWSA-N 1 0 630.137 5.634 1 0 KKAFRO C[NH+](C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000014141249 561737036 /nfs/dbraw/zinc/73/70/36/561737036.db2.gz OFQCVYOFPPDYDD-MGBGTMOVSA-N 1 0 554.666 5.055 1 0 KKAFRO CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000014176218 561737299 /nfs/dbraw/zinc/73/72/99/561737299.db2.gz NXIHJWJQJIGCQT-LGONNFHISA-N 1 0 600.553 7.149 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000014946306 561743493 /nfs/dbraw/zinc/74/34/93/561743493.db2.gz MBPKTUUBOVNOPG-UHFFFAOYSA-N 1 0 559.198 8.530 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949875 561745208 /nfs/dbraw/zinc/74/52/08/561745208.db2.gz BFTIGQYPPHDMJL-UHFFFAOYSA-N 1 0 589.161 7.241 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2c(=O)n(-c2ccc(-c4ccccc4C[NH+]4CCCC4)cc2)nc3C)cc1 ZINC000014950553 561745562 /nfs/dbraw/zinc/74/55/62/561745562.db2.gz QEXUYNKXWDDROG-UHFFFAOYSA-N 1 0 559.592 6.170 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccc4ccccc4c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950784 561745748 /nfs/dbraw/zinc/74/57/48/561745748.db2.gz VRTLCVDTLDWAER-HHHXNRCGSA-N 1 0 566.640 7.048 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)NCc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950859 561745752 /nfs/dbraw/zinc/74/57/52/561745752.db2.gz YQUZVLWPXTXQDM-AREMUKBSSA-N 1 0 512.617 5.434 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950816 561745766 /nfs/dbraw/zinc/74/57/66/561745766.db2.gz RPUAJKDGVVDDHX-WJOKGBTCSA-N 1 0 617.713 7.008 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CCCCC4)cc3F)cc12 ZINC000014951182 561746017 /nfs/dbraw/zinc/74/60/17/561746017.db2.gz JAMANIGSQMZMOS-UHFFFAOYSA-N 1 0 578.570 6.659 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@@H+]4CCC[C@H]4CO)cc3F)cc12 ZINC000014951149 561746030 /nfs/dbraw/zinc/74/60/30/561746030.db2.gz HRFLXDHXKFKMKT-FQEVSTJZSA-N 1 0 594.569 5.630 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)c(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000014957938 561748124 /nfs/dbraw/zinc/74/81/24/561748124.db2.gz RJPLOWNWNWVHLW-UHFFFAOYSA-N 1 0 533.676 5.783 1 0 KKAFRO Fc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)nc2c1 ZINC000014957996 561748146 /nfs/dbraw/zinc/74/81/46/561748146.db2.gz PLIPTRZNWFRKNU-UHFFFAOYSA-N 1 0 530.611 5.991 1 0 KKAFRO O=C1NCc2c(-c3ccccc3Cl)nc(N[C@H]3C[NH+]4CCC3CC4)nc2N1c1c(Cl)cccc1Cl ZINC000014962986 561748678 /nfs/dbraw/zinc/74/86/78/561748678.db2.gz GVXWRVFQOVOOLI-FQEVSTJZSA-N 1 0 529.859 5.971 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC[NH+]=C2C)c1Cl ZINC000014963180 561748984 /nfs/dbraw/zinc/74/89/84/561748984.db2.gz PRJDABIRCYRZFL-UHFFFAOYSA-N 1 0 552.871 5.851 1 0 KKAFRO COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000014965406 561749666 /nfs/dbraw/zinc/74/96/66/561749666.db2.gz HKVXJSFCIOPEBO-UHFFFAOYSA-N 1 0 538.652 5.935 1 0 KKAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000014970522 561750944 /nfs/dbraw/zinc/75/09/44/561750944.db2.gz JEBWQRLWYAVSFG-MXBOTTGLSA-N 1 0 562.718 5.001 1 0 KKAFRO Oc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000014970946 561751061 /nfs/dbraw/zinc/75/10/61/561751061.db2.gz IDPLITSZGZBIIZ-UHFFFAOYSA-N 1 0 550.503 6.671 1 0 KKAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000014970549 561751065 /nfs/dbraw/zinc/75/10/65/561751065.db2.gz ZYAIAJWIMAJKGE-FIRIVFDPSA-N 1 0 562.718 5.144 1 0 KKAFRO Oc1ccc2c(c1)sc(-c1ccc(Br)cc1)c2Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000014970922 561751108 /nfs/dbraw/zinc/75/11/08/561751108.db2.gz FLWLHDOBICBSTN-UHFFFAOYSA-N 1 0 524.480 7.693 1 0 KKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3Cc3ccccc3)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000017376965 561755154 /nfs/dbraw/zinc/75/51/54/561755154.db2.gz ZJMPTWYZGQUVED-GHPJVDHGSA-N 1 0 516.730 5.070 3 0 KKAFRO CC[C@@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(C)cc1)c1ccccc1 ZINC000017376940 561755197 /nfs/dbraw/zinc/75/51/97/561755197.db2.gz WMJNZKXMNBGMRL-LHHUKBANSA-N 1 0 538.736 5.300 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545806 561755995 /nfs/dbraw/zinc/75/59/95/561755995.db2.gz BNFZUJXLJVBSSL-HSZRJFAPSA-N 1 0 553.696 6.187 3 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000017577464 561756642 /nfs/dbraw/zinc/75/66/42/561756642.db2.gz PZIHXYQJOBGJEU-FDEXCQADSA-N 1 0 586.701 9.456 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000017577539 561756728 /nfs/dbraw/zinc/75/67/28/561756728.db2.gz KKIRKDBZBVQYSD-ANUHUJQCSA-N 1 0 575.752 8.829 3 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655025 561757782 /nfs/dbraw/zinc/75/77/82/561757782.db2.gz SVGCVFQVDCWGPY-HGLPBTONSA-N 1 0 585.789 6.531 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655208 561757888 /nfs/dbraw/zinc/75/78/88/561757888.db2.gz AFCAOYKFIBILFN-CLJLJLNGSA-N 1 0 606.760 6.100 1 0 KKAFRO O[C@H](CSCc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022444456 561759073 /nfs/dbraw/zinc/75/90/73/561759073.db2.gz SVRLSZPXGSBDMH-LJAQVGFWSA-N 1 0 510.694 5.789 1 0 KKAFRO C[NH+](C)CCN1CCN(c2cc3c(nc2Sc2ccc(F)cc2F)CNC(=O)N3c2c(Cl)cccc2Cl)CC1 ZINC000022448559 561759182 /nfs/dbraw/zinc/75/91/82/561759182.db2.gz DQXZQCNGYTVWJL-UHFFFAOYSA-N 1 0 593.531 5.863 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1c(C)cccc1OCCCCCC[NH+]1CCN(C)CC1 ZINC000022925865 561759699 /nfs/dbraw/zinc/75/96/99/561759699.db2.gz WYFKUBJWMBRINL-UHFFFAOYSA-N 1 0 523.725 6.405 1 0 KKAFRO Cc1cncc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927055 561759831 /nfs/dbraw/zinc/75/98/31/561759831.db2.gz ZFUXAIFGGCQFFK-VXKWHMMOSA-N 1 0 502.625 5.479 1 0 KKAFRO CC(C)[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000022941797 561761194 /nfs/dbraw/zinc/76/11/94/561761194.db2.gz SDCLQZSZNIDDCP-YTTGMZPUSA-N 1 0 520.721 6.555 1 0 KKAFRO Cc1cccc(O)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941899 561761205 /nfs/dbraw/zinc/76/12/05/561761205.db2.gz MUZZKZIHYIHBGE-SFTDATJTSA-N 1 0 503.609 5.481 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@H]([NH3+])C4)cc3F)cc12 ZINC000023358210 561761997 /nfs/dbraw/zinc/76/19/97/561761997.db2.gz YHIZCAWNRNQWMF-SFHVURJKSA-N 1 0 579.558 5.206 1 0 KKAFRO CC[NH+](CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359304 561762192 /nfs/dbraw/zinc/76/21/92/561762192.db2.gz YPBQWYRTPLXSAK-UHFFFAOYSA-N 1 0 567.970 6.987 1 0 KKAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCC[NH3+])c2)cc1 ZINC000025963143 561762875 /nfs/dbraw/zinc/76/28/75/561762875.db2.gz YNCAROCYIGDSNF-UUWRZZSWSA-N 1 0 588.837 5.717 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000025964452 561763018 /nfs/dbraw/zinc/76/30/18/561763018.db2.gz DKTFEUJGLCUSHM-IOGUJBTOSA-N 1 0 586.754 6.780 1 0 KKAFRO O[C@@H]1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000025973524 561763436 /nfs/dbraw/zinc/76/34/36/561763436.db2.gz DMAQQUULTGXWQK-ARPOTICCSA-N 1 0 517.713 7.798 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCCC2 ZINC000026008722 561765745 /nfs/dbraw/zinc/76/57/45/561765745.db2.gz RVLMCLGUQRGIEP-UHFFFAOYSA-N 1 0 647.260 7.245 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCNC(C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026013093 561765987 /nfs/dbraw/zinc/76/59/87/561765987.db2.gz LALSXLMJCFUYIJ-UHFFFAOYSA-N 1 0 711.826 6.410 1 0 KKAFRO CCOC(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5cc(OCC)ccc54)CC3)CC2)cc1 ZINC000026025906 561766911 /nfs/dbraw/zinc/76/69/11/561766911.db2.gz QRZIHOMPBVPJOA-UHFFFAOYSA-N 1 0 574.787 6.453 1 0 KKAFRO CCCN(CCC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026184753 561772417 /nfs/dbraw/zinc/77/24/17/561772417.db2.gz MPHVSAOSKNRUSS-CZFRINIUSA-N 1 0 506.734 7.620 1 0 KKAFRO COc1ccc([C@H](CCCCCC[NH+]2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263472 561775907 /nfs/dbraw/zinc/77/59/07/561775907.db2.gz JVIBCEVSLTYPFB-YTTGMZPUSA-N 1 0 535.750 7.829 1 0 KKAFRO COc1ccc([C@@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274513 561777924 /nfs/dbraw/zinc/77/79/24/561777924.db2.gz GINSMERMFDOMOV-MUUNZHRXSA-N 1 0 501.733 6.913 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@H]3CCCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277871 561778547 /nfs/dbraw/zinc/77/85/47/561778547.db2.gz ADMOZSRFKYYPSU-HKBQPEDESA-N 1 0 614.718 5.912 1 0 KKAFRO COc1ccc(C(=C(CCCCCCCCCCC[NH2+]CCN)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000026280384 561778988 /nfs/dbraw/zinc/77/89/88/561778988.db2.gz BWVFHPGSCQSLRZ-UHFFFAOYSA-N 1 0 528.781 8.112 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026281436 561779014 /nfs/dbraw/zinc/77/90/14/561779014.db2.gz FSVMBYSTSUIRJD-HSZRJFAPSA-N 1 0 551.518 6.219 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026290874 561780452 /nfs/dbraw/zinc/78/04/52/561780452.db2.gz KVWYIQSSLORAOG-XMMPIXPASA-N 1 0 535.519 6.995 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026290879 561780538 /nfs/dbraw/zinc/78/05/38/561780538.db2.gz KVWYIQSSLORAOG-DEOSSOPVSA-N 1 0 535.519 6.995 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c(-c5ccccc5)c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026156805 561768287 /nfs/dbraw/zinc/76/82/87/561768287.db2.gz NEFZIEFFQVCRSS-QWWNLRCWSA-N 1 0 516.641 5.753 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C ZINC000026156707 561768304 /nfs/dbraw/zinc/76/83/04/561768304.db2.gz SYMCBBYJOYFSNB-PSWJWLENSA-N 1 0 718.892 5.723 1 0 KKAFRO CCCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497718 561794719 /nfs/dbraw/zinc/79/47/19/561794719.db2.gz LLKSCDDQBXZAHO-GDLZYMKVSA-N 1 0 645.788 7.013 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026497904 561794727 /nfs/dbraw/zinc/79/47/27/561794727.db2.gz SJPBJQYASJSDFQ-XMMPIXPASA-N 1 0 541.182 6.274 1 0 KKAFRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384134 561783953 /nfs/dbraw/zinc/78/39/53/561783953.db2.gz HNCAPNUVEKFTJS-MZPAXQNMSA-N 1 0 683.702 5.742 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385439 561784221 /nfs/dbraw/zinc/78/42/21/561784221.db2.gz YFRNOLJAPPRTQZ-BHDXBOSCSA-N 1 0 612.623 6.238 1 0 KKAFRO NC([NH3+])c1ccc([C@H](NS(=O)(=O)c2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390779 561785721 /nfs/dbraw/zinc/78/57/21/561785721.db2.gz NCERBHOPMWPMBI-SSEXGKCCSA-N 1 0 573.611 6.084 1 0 KKAFRO COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(C[NH+]3CCCC3)c(OC)c2)cc1 ZINC000026395661 561786923 /nfs/dbraw/zinc/78/69/23/561786923.db2.gz KCJPPLTYDMRSJI-UHFFFAOYSA-N 1 0 529.702 7.096 1 0 KKAFRO COc1cc(Cn2c3ccccc3nc2-c2ccc(OCCN3CCCC3=O)cc2)ccc1C[NH+]1CCCC1 ZINC000026398644 561787755 /nfs/dbraw/zinc/78/77/55/561787755.db2.gz FBPNHKVZZSJIMP-UHFFFAOYSA-N 1 0 524.665 5.357 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790126 /nfs/dbraw/zinc/79/01/26/561790126.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 1 0 665.798 7.101 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026482494 561791832 /nfs/dbraw/zinc/79/18/32/561791832.db2.gz DMSAUVCUXIBGOI-DJGFJIGHSA-N 1 0 593.485 5.408 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492136 561793499 /nfs/dbraw/zinc/79/34/99/561793499.db2.gz OTHFWBHXJUPUNZ-NJEMLTPYSA-N 1 0 606.619 5.510 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@H](c2ccccc2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026493378 561793759 /nfs/dbraw/zinc/79/37/59/561793759.db2.gz GYQOSKXMVZEOOR-GUNDDFSMSA-N 1 0 573.067 5.145 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC[C@@H]1CCCCO1 ZINC000026493655 561793934 /nfs/dbraw/zinc/79/39/34/561793934.db2.gz WMCZYQALENMCCM-UTIUCDHNSA-N 1 0 634.629 5.238 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[C@@H](O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026494295 561794012 /nfs/dbraw/zinc/79/40/12/561794012.db2.gz SMDKOMCVXGUBNW-FUFSCUOVSA-N 1 0 539.141 5.605 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(N(C)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026502168 561795822 /nfs/dbraw/zinc/79/58/22/561795822.db2.gz NWQXLBPAPDKSFG-MUUNZHRXSA-N 1 0 549.737 5.214 1 0 KKAFRO FC(F)(F)c1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026505139 561796435 /nfs/dbraw/zinc/79/64/35/561796435.db2.gz WTNIWSHLUDQHLC-SANMLTNESA-N 1 0 514.555 5.746 1 0 KKAFRO COc1cccc(C2(C(N)=O)CC[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)c1 ZINC000026569681 561797778 /nfs/dbraw/zinc/79/77/78/561797778.db2.gz XCIPVUSGRRXKLG-UMSFTDKQSA-N 1 0 670.634 5.721 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccncc2)c1 ZINC000026576079 561799864 /nfs/dbraw/zinc/79/98/64/561799864.db2.gz ZZSZUFBTCXQQAJ-WDEPAJCISA-N 1 0 548.775 7.214 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CCCN3CC[NH+](C)CC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026578097 561802825 /nfs/dbraw/zinc/80/28/25/561802825.db2.gz UYBIRMFTNJZIJL-UHFFFAOYSA-N 1 0 728.338 5.986 1 0 KKAFRO O=C(OC[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000026579147 561804176 /nfs/dbraw/zinc/80/41/76/561804176.db2.gz BHTTVKSUOKJDOR-JRTUOMDPSA-N 1 0 542.528 6.479 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 ZINC000026579100 561804189 /nfs/dbraw/zinc/80/41/89/561804189.db2.gz SZOUSEZBVHLILP-XYTTWMLMSA-N 1 0 592.614 5.338 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000026642504 561806765 /nfs/dbraw/zinc/80/67/65/561806765.db2.gz AAVVKVVWHPCJSK-SFZNCWAWSA-N 1 0 667.724 7.610 1 0 KKAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649290 561808036 /nfs/dbraw/zinc/80/80/36/561808036.db2.gz UJGYNDPRZZIZJY-LDLOPFEMSA-N 1 0 622.900 5.131 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026652197 561808627 /nfs/dbraw/zinc/80/86/27/561808627.db2.gz WJWXIAWSIAEAJJ-LJJVSIPNSA-N 1 0 557.181 5.289 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026653149 561808759 /nfs/dbraw/zinc/80/87/59/561808759.db2.gz WIBBPDXGCMFKBV-DEOSSOPVSA-N 1 0 531.549 6.667 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(C)(=O)=O)cc2ccccc21 ZINC000026659832 561810166 /nfs/dbraw/zinc/81/01/66/561810166.db2.gz ZJEFRQVWWPNTJA-WWUDGXSDSA-N 1 0 685.739 7.413 1 0 KKAFRO O=C([O-])[C@@H](c1ccccc1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823837 561821615 /nfs/dbraw/zinc/82/16/15/561821615.db2.gz HIMJKDLIRVULLJ-OJDZSJEKSA-N 1 0 512.694 5.378 1 0 KKAFRO [NH3+]CCC[C@@H]1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc43)C(=O)[C@@H]12 ZINC000026663549 561810770 /nfs/dbraw/zinc/81/07/70/561810770.db2.gz DPGNBBMMTWINDM-RYHYHUEASA-N 1 0 554.760 5.354 1 0 KKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026664516 561810896 /nfs/dbraw/zinc/81/08/96/561810896.db2.gz JRENNAMRLZQRKV-LMSSTIIKSA-N 1 0 509.735 5.532 1 0 KKAFRO CCCc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3[C@@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000026664179 561810938 /nfs/dbraw/zinc/81/09/38/561810938.db2.gz IBTVWQOYCRXIFM-PMERELPUSA-N 1 0 520.695 5.156 1 0 KKAFRO O=C(c1cc(-c2ccc(F)cc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CC[NH2+]CC1 ZINC000026669746 561812073 /nfs/dbraw/zinc/81/20/73/561812073.db2.gz YUFBQMLHYDMCTI-UHFFFAOYSA-N 1 0 533.818 5.860 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(N)(=O)=O)cc2ccccc21 ZINC000026670374 561812172 /nfs/dbraw/zinc/81/21/72/561812172.db2.gz DGMLGHXEKBUEAR-HPXOLRGVSA-N 1 0 686.727 6.657 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026672162 561812634 /nfs/dbraw/zinc/81/26/34/561812634.db2.gz JPUGXAMECQJERZ-KDXMTYKHSA-N 1 0 737.725 7.174 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@]2(c3ccc(F)cc3)CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)CC1 ZINC000026671776 561812639 /nfs/dbraw/zinc/81/26/39/561812639.db2.gz FLHDOLQPNXOYNQ-LDLOPFEMSA-N 1 0 686.825 5.893 1 0 KKAFRO COc1ccc([C@@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000026716060 561814036 /nfs/dbraw/zinc/81/40/36/561814036.db2.gz XBURWGMHOIWDHZ-WBCKFURZSA-N 1 0 717.867 6.283 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH2+]Cc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026717594 561814487 /nfs/dbraw/zinc/81/44/87/561814487.db2.gz JAKIBYOBSIHNSU-UHFFFAOYSA-N 1 0 514.073 6.346 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026720552 561815034 /nfs/dbraw/zinc/81/50/34/561815034.db2.gz BSVGNAQMDXJFNE-DHUJRADRSA-N 1 0 665.618 6.664 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026721077 561815161 /nfs/dbraw/zinc/81/51/61/561815161.db2.gz VDAMCZUHIJCJPK-WBCKFURZSA-N 1 0 704.843 7.018 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729833 561816691 /nfs/dbraw/zinc/81/66/91/561816691.db2.gz SSFSWVIFTITAGI-BESSAKRQSA-N 1 0 506.602 5.365 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000026818871 561820716 /nfs/dbraw/zinc/82/07/16/561820716.db2.gz CIXKPLGEAAADPG-WUFINQPMSA-N 1 0 531.622 6.876 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000026657338 561809656 /nfs/dbraw/zinc/80/96/56/561809656.db2.gz BSSJFXMTCJBDKV-UMSFTDKQSA-N 1 0 634.910 6.968 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)Nc2cccc(C)n2)[C@@H]1c1ccccc1Cl ZINC000026831803 561823076 /nfs/dbraw/zinc/82/30/76/561823076.db2.gz CZSPGXWDRSTAFH-UFEOWHGLSA-N 1 0 578.113 6.139 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)Nc2cccc(C)n2)[C@H]1c1ccccc1Cl ZINC000026831808 561823146 /nfs/dbraw/zinc/82/31/46/561823146.db2.gz CZSPGXWDRSTAFH-PTBNBFCCSA-N 1 0 578.113 6.139 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835397 561824045 /nfs/dbraw/zinc/82/40/45/561824045.db2.gz MGIDXWHXFOXZPR-GIGWZHCTSA-N 1 0 542.079 5.727 1 0 KKAFRO O=C1N[C@H](Cc2csc3ccccc23)C(=O)N1C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026835433 561824058 /nfs/dbraw/zinc/82/40/58/561824058.db2.gz ZQSHCPMJOSCQPP-PDDLMNHVSA-N 1 0 572.174 7.071 1 0 KKAFRO COc1c(C(C)(C)C)cc([C@@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836303 561824374 /nfs/dbraw/zinc/82/43/74/561824374.db2.gz WEGQVYKRFYKPBT-LJAQVGFWSA-N 1 0 556.769 5.994 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840405 561825536 /nfs/dbraw/zinc/82/55/36/561825536.db2.gz COQRQYDTULKQEN-GBNWJTIOSA-N 1 0 576.162 5.132 1 0 KKAFRO CC(C)[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026842519 561825983 /nfs/dbraw/zinc/82/59/83/561825983.db2.gz IJZQNIBRFABISG-SSEXGKCCSA-N 1 0 570.796 6.469 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843714 561826137 /nfs/dbraw/zinc/82/61/37/561826137.db2.gz QRZABLVSQLMLCO-GDLZYMKVSA-N 1 0 723.337 6.798 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845891 561826487 /nfs/dbraw/zinc/82/64/87/561826487.db2.gz ANCRAJKTKYCZOD-HKBQPEDESA-N 1 0 625.597 5.291 1 0 KKAFRO CCC[N@H+](CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000026965656 561829925 /nfs/dbraw/zinc/82/99/25/561829925.db2.gz GUYDMNDOMIQYML-LJAQVGFWSA-N 1 0 713.856 7.992 1 0 KKAFRO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@H+](CCCc3ccccc3)C[C@@H]2C)cc1 ZINC000026968501 561830204 /nfs/dbraw/zinc/83/02/04/561830204.db2.gz FBWUFLYPVWIVGR-OEYLZLLESA-N 1 0 527.753 6.294 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026971456 561830462 /nfs/dbraw/zinc/83/04/62/561830462.db2.gz IKTCQXBLEMUSIF-HYBUGGRVSA-N 1 0 545.558 5.408 1 0 KKAFRO CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000026992798 561832765 /nfs/dbraw/zinc/83/27/65/561832765.db2.gz BNBSDZRWCCHBOZ-CBHGIOBQSA-N 1 0 661.844 5.122 1 0 KKAFRO COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1 ZINC000027076336 561834241 /nfs/dbraw/zinc/83/42/41/561834241.db2.gz MLJGWGFFCVHRCA-UHFFFAOYSA-N 1 0 529.657 6.029 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4OCC4CC4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027092498 561837423 /nfs/dbraw/zinc/83/74/23/561837423.db2.gz NCTBMRDHRHPUBF-TVGHXLIYSA-N 1 0 559.106 5.099 1 0 KKAFRO COc1ccc([S@](=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027100765 561838735 /nfs/dbraw/zinc/83/87/35/561838735.db2.gz GWYBBAGPQDTKBI-WBCKFURZSA-N 1 0 588.770 5.387 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102731 561839268 /nfs/dbraw/zinc/83/92/68/561839268.db2.gz URBMBIPANSKQOM-GDLZYMKVSA-N 1 0 665.279 5.030 1 0 KKAFRO COc1cc(NC(=O)N[C@H](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC ZINC000027180474 561841787 /nfs/dbraw/zinc/84/17/87/561841787.db2.gz OCFVRBOTVITVCK-HSZRJFAPSA-N 1 0 538.516 6.468 1 0 KKAFRO CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC[N@H+](C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027191357 561843495 /nfs/dbraw/zinc/84/34/95/561843495.db2.gz LDCWRCFCYHTIGC-UHFFFAOYSA-N 1 0 580.666 7.019 1 0 KKAFRO O=C([O-])[C@H](CC1CC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083355 561835685 /nfs/dbraw/zinc/83/56/85/561835685.db2.gz BYTINRYNDVFJIV-AWCRTANDSA-N 1 0 529.750 5.882 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](C2CCCC2)C1=O ZINC000027199244 561844752 /nfs/dbraw/zinc/84/47/52/561844752.db2.gz KKFBTFCVHZOBSO-SHQCIBLASA-N 1 0 502.655 5.258 1 0 KKAFRO CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[n+]3ccccc3)cc2)c2cc(N(C)C)ccc2S(=O)(=O)N1C ZINC000027202688 561845447 /nfs/dbraw/zinc/84/54/47/561845447.db2.gz LZOGWRAKODSTTH-LQFQNGICSA-N 1 0 668.921 5.398 1 0 KKAFRO C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000027203384 561845455 /nfs/dbraw/zinc/84/54/55/561845455.db2.gz LWRRCCZYPCEPTK-HXUWFJFHSA-N 1 0 550.619 5.014 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027204775 561845687 /nfs/dbraw/zinc/84/56/87/561845687.db2.gz PSNOTDXLJIXMTC-UHFFFAOYSA-N 1 0 576.742 5.281 1 0 KKAFRO O=C(Cc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000027208137 561846432 /nfs/dbraw/zinc/84/64/32/561846432.db2.gz HHCJCDRJLOXERL-UHFFFAOYSA-N 1 0 510.461 5.024 1 0 KKAFRO O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000027210057 561846903 /nfs/dbraw/zinc/84/69/03/561846903.db2.gz YWPRMGZYWMCDAA-UHFFFAOYSA-N 1 0 568.161 7.212 1 0 KKAFRO C[N@H+](CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323212 561853013 /nfs/dbraw/zinc/85/30/13/561853013.db2.gz OAXCAPTYJDLJCD-UHFFFAOYSA-N 1 0 510.487 6.872 1 0 KKAFRO [NH3+]CCCCCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027407210 561855710 /nfs/dbraw/zinc/85/57/10/561855710.db2.gz ZOXPJVLOBMCRSE-UHFFFAOYSA-N 1 0 519.515 5.672 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027410753 561856310 /nfs/dbraw/zinc/85/63/10/561856310.db2.gz AUBQUXYCNPBQLF-PDSNYWAFSA-N 1 0 707.916 5.782 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000027437619 561860395 /nfs/dbraw/zinc/86/03/95/561860395.db2.gz SSPQQLUIJSOEHH-RUZDIDTESA-N 1 0 599.616 5.846 1 0 KKAFRO CCCC[C@@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C ZINC000027441981 561860819 /nfs/dbraw/zinc/86/08/19/561860819.db2.gz NHQNXUAJLTWRDQ-IRPSRAIASA-N 1 0 550.769 6.038 1 0 KKAFRO O=C(CC[NH2+]Cc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027442968 561861007 /nfs/dbraw/zinc/86/10/07/561861007.db2.gz VQBLBCJXKBJGMF-SSEXGKCCSA-N 1 0 591.200 5.028 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517878 561861611 /nfs/dbraw/zinc/86/16/11/561861611.db2.gz OVNDNIJQJAWJBW-PQHLKRTFSA-N 1 0 595.672 7.339 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518187 561861931 /nfs/dbraw/zinc/86/19/31/561861931.db2.gz INFUSDDIQHZLPP-OAQYLSRUSA-N 1 0 531.056 6.024 1 0 KKAFRO CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+](COC(=O)c3ccccc3)c2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000027518139 561861973 /nfs/dbraw/zinc/86/19/73/561861973.db2.gz HNXYBCLSBRVDJF-PGUFJCEWSA-N 1 0 645.736 6.905 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(C)nc(C)n4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518264 561862070 /nfs/dbraw/zinc/86/20/70/561862070.db2.gz MGDOWJUATPQBAG-JOCHJYFZSA-N 1 0 560.098 6.035 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](C(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518388 561862244 /nfs/dbraw/zinc/86/22/44/561862244.db2.gz UDONPFJJAMEMDG-WJOKGBTCSA-N 1 0 631.705 7.534 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cccnc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027519024 561862880 /nfs/dbraw/zinc/86/28/80/561862880.db2.gz XVGQYNJHKKYLAU-NRFANRHFSA-N 1 0 531.056 6.024 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@H]3c3ccccc3)c2=O)cc1 ZINC000027519023 561862892 /nfs/dbraw/zinc/86/28/92/561862892.db2.gz LQUHPSCNOVBDIJ-TVNVSJRUSA-N 1 0 603.188 5.876 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccnc(C)n4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027519305 561863009 /nfs/dbraw/zinc/86/30/09/561863009.db2.gz LSWCHERKJUTYNF-NRFANRHFSA-N 1 0 546.071 5.727 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(C)ncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027519594 561863126 /nfs/dbraw/zinc/86/31/26/561863126.db2.gz XMGYRFDVVUAMQJ-NRFANRHFSA-N 1 0 546.071 5.727 1 0 KKAFRO Cc1nnc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@@H]2CCCC[NH2+]2)s1 ZINC000027520341 561863501 /nfs/dbraw/zinc/86/35/01/561863501.db2.gz ZPEUSSBIORIGNM-IBGZPJMESA-N 1 0 552.100 5.789 1 0 KKAFRO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)C[C@@H]1C ZINC000027520763 561863737 /nfs/dbraw/zinc/86/37/37/561863737.db2.gz CAZKDDQXONGRTE-ROUUACIJSA-N 1 0 543.461 6.169 1 0 KKAFRO CC1(C)CC(Nc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC(C)(C)[NH2+]1 ZINC000027525429 561866051 /nfs/dbraw/zinc/86/60/51/561866051.db2.gz WLSRUNCRTNITTJ-UHFFFAOYSA-N 1 0 557.953 8.396 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH+]5CCCC5)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000027525480 561866056 /nfs/dbraw/zinc/86/60/56/561866056.db2.gz DBQKOLJKAQQLHY-VQHGBIQESA-N 1 0 501.777 5.831 1 0 KKAFRO CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)cc1I ZINC000027548349 561867492 /nfs/dbraw/zinc/86/74/92/561867492.db2.gz UZLHHXZKHRNPOE-UHFFFAOYSA-N 1 0 578.458 5.528 1 0 KKAFRO COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552447 561868304 /nfs/dbraw/zinc/86/83/04/561868304.db2.gz FXOJKPLALHHTKM-JGCGQSQUSA-N 1 0 555.744 6.555 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552349 561868318 /nfs/dbraw/zinc/86/83/18/561868318.db2.gz RUYAQBZRWRWQHR-LJAQVGFWSA-N 1 0 515.679 6.608 1 0 KKAFRO CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2C[NH2+]Cc2ccccc2)c(F)c1 ZINC000027564556 561871808 /nfs/dbraw/zinc/87/18/08/561871808.db2.gz KPTSHMWHZORQOR-UHFFFAOYSA-N 1 0 622.644 6.643 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc1)CC2 ZINC000027657015 561877944 /nfs/dbraw/zinc/87/79/44/561877944.db2.gz KZSWNDHPBHRMFS-UHFFFAOYSA-N 1 0 520.629 5.788 1 0 KKAFRO O=C(/C=C/c1cccnc1)NCCCC[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000027657459 561877998 /nfs/dbraw/zinc/87/79/98/561877998.db2.gz XOLUHXYYLLXPTH-LHHJGKSTSA-N 1 0 523.508 5.705 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CCN(C(=O)Oc3ccccc3)C=C2)C1C(=O)OCC(C)C ZINC000027724545 561880813 /nfs/dbraw/zinc/88/08/13/561880813.db2.gz JFEJSTCNQWJNJZ-GAPOMRBKSA-N 1 0 508.615 5.947 1 0 KKAFRO N=C1NC(=[NH2+])N[C@@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1c1cccc(Cl)c1 ZINC000027732635 561881427 /nfs/dbraw/zinc/88/14/27/561881427.db2.gz JGKAPLMXNSTCCA-JOCHJYFZSA-N 1 0 553.277 6.296 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN3OC4(C[C@H]3[C@@H]2c2ccccc2)CCCCC4)CC1 ZINC000027740867 561882472 /nfs/dbraw/zinc/88/24/72/561882472.db2.gz GXHRXGFOZBCOIP-LHGWWSMPSA-N 1 0 531.741 6.232 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 ZINC000027743312 561882796 /nfs/dbraw/zinc/88/27/96/561882796.db2.gz HKGFIDFQQGCMRN-NHZFLZHXSA-N 1 0 589.753 6.303 1 0 KKAFRO Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027756426 561883637 /nfs/dbraw/zinc/88/36/37/561883637.db2.gz NJSVXVUUORFAEJ-UHFFFAOYSA-N 1 0 658.731 7.604 1 0 KKAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCC(c3ccccc3)CC1)c1ccccc1S2 ZINC000027866345 561887794 /nfs/dbraw/zinc/88/77/94/561887794.db2.gz DSGHHFSKTBVPFA-UHFFFAOYSA-N 1 0 507.725 5.809 1 0 KKAFRO COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)CN(C)C)cc2)ccc1C[NH+]1CCCC1 ZINC000027863242 561887454 /nfs/dbraw/zinc/88/74/54/561887454.db2.gz GFJWUHJYTGWVPI-UHFFFAOYSA-N 1 0 529.706 5.969 1 0 KKAFRO Brc1ccc(C(OCCC2CC[NH+](CCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000027869108 561888036 /nfs/dbraw/zinc/88/80/36/561888036.db2.gz BTLYKCQKSOTGNY-UHFFFAOYSA-N 1 0 557.370 7.662 1 0 KKAFRO C[NH+](C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1O)C2 ZINC000027873449 561888365 /nfs/dbraw/zinc/88/83/65/561888365.db2.gz MYYYAVHLMNXDHB-UHFFFAOYSA-N 1 0 556.666 6.383 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(NC(=O)c2ccccc2)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000027883408 561889260 /nfs/dbraw/zinc/88/92/60/561889260.db2.gz INAIVAQTSWTZFS-SSEXGKCCSA-N 1 0 614.617 7.661 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2cnc3[nH]cnc3c2)c1 ZINC000027899642 561890806 /nfs/dbraw/zinc/89/08/06/561890806.db2.gz HYQSDYMILKSIOS-GXUJUKEASA-N 1 0 616.854 7.870 1 0 KKAFRO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017180 561897548 /nfs/dbraw/zinc/89/75/48/561897548.db2.gz UIXOOGQAQVUYHU-FWWQNHDYSA-N 1 0 658.903 7.740 1 0 KKAFRO CCc1cc(CCc2ccccc2)nn1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028016740 561897569 /nfs/dbraw/zinc/89/75/69/561897569.db2.gz CZTSJVHNDALIPA-BTLFPPEZSA-N 1 0 582.833 6.617 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997263 561893985 /nfs/dbraw/zinc/89/39/85/561893985.db2.gz PELFAZRJNFXMQV-DHUJRADRSA-N 1 0 684.617 6.222 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028005899 561895495 /nfs/dbraw/zinc/89/54/95/561895495.db2.gz MVLFEXABAZSRER-KCTCJIHVSA-N 1 0 540.752 5.642 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006751 561895621 /nfs/dbraw/zinc/89/56/21/561895621.db2.gz AXEFQHJHLHVSPB-RZBJZMOUSA-N 1 0 613.605 7.451 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007430 561895782 /nfs/dbraw/zinc/89/57/82/561895782.db2.gz PFQMJEOTSDKJES-RKKDRKJOSA-N 1 0 540.752 5.929 1 0 KKAFRO CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017739 561897743 /nfs/dbraw/zinc/89/77/43/561897743.db2.gz ZBCNRLKCRTZWSZ-NNYJQHGCSA-N 1 0 630.727 6.536 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012453 561896532 /nfs/dbraw/zinc/89/65/32/561896532.db2.gz AGLFWGJQCMSLJD-UMSFTDKQSA-N 1 0 605.801 5.889 1 0 KKAFRO COc1ccc(OCCCC[NH2+]CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011462 561896547 /nfs/dbraw/zinc/89/65/47/561896547.db2.gz YHZAHLCAAYMREP-WJOKGBTCSA-N 1 0 566.720 5.870 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028014517 561897017 /nfs/dbraw/zinc/89/70/17/561897017.db2.gz POOMWRWFJAPJOF-OAQYLSRUSA-N 1 0 517.522 6.284 1 0 KKAFRO CCOC(=O)Oc1c(OC)cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC000028020535 561898398 /nfs/dbraw/zinc/89/83/98/561898398.db2.gz FGMDMAIELUZENW-DHUJRADRSA-N 1 0 698.644 6.239 1 0 KKAFRO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1 ZINC000028108076 561902676 /nfs/dbraw/zinc/90/26/76/561902676.db2.gz QJPSGDXCCOBLIC-XNMGPUDCSA-N 1 0 530.632 5.177 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028086839 561899199 /nfs/dbraw/zinc/89/91/99/561899199.db2.gz VNMYGCFDQRWNPO-JGCGQSQUSA-N 1 0 562.707 6.746 1 0 KKAFRO CCn1nc(Cc2ccccc2F)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088919 561899541 /nfs/dbraw/zinc/89/95/41/561899541.db2.gz AMEANAGWRYNMDA-SBAONXBNSA-N 1 0 578.748 6.166 1 0 KKAFRO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093198 561900397 /nfs/dbraw/zinc/90/03/97/561900397.db2.gz FQDAIOFBLYFMHL-DCLZWXHWSA-N 1 0 622.829 7.304 1 0 KKAFRO CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C(=[NH2+])c1ccccc1 ZINC000028094217 561900559 /nfs/dbraw/zinc/90/05/59/561900559.db2.gz PBDCKQYPVQLECO-UHFFFAOYSA-N 1 0 532.431 6.350 1 0 KKAFRO NC(=[NH2+])c1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1 ZINC000028101325 561901619 /nfs/dbraw/zinc/90/16/19/561901619.db2.gz KUZWQHAZGZZCGJ-UHFFFAOYSA-N 1 0 504.377 5.844 1 0 KKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccc(Cl)cc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117690 561904058 /nfs/dbraw/zinc/90/40/58/561904058.db2.gz FEOKKKVFVPFUNS-QFIPXVFZSA-N 1 0 530.927 8.141 1 0 KKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccc(Cl)cc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117699 561904060 /nfs/dbraw/zinc/90/40/60/561904060.db2.gz FEOKKKVFVPFUNS-JOCHJYFZSA-N 1 0 530.927 8.141 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000028124741 561904789 /nfs/dbraw/zinc/90/47/89/561904789.db2.gz DPIMUOJRFNNAHL-XZWHSSHBSA-N 1 0 584.727 6.615 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC000028124733 561904803 /nfs/dbraw/zinc/90/48/03/561904803.db2.gz DPIMUOJRFNNAHL-LOYHVIPDSA-N 1 0 584.727 6.615 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)Nc2ccc(-c3ccccc3)cc2)C1)[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000028128393 561905302 /nfs/dbraw/zinc/90/53/02/561905302.db2.gz JTXBXFTVOCSXTB-JSOSNVBQSA-N 1 0 574.169 6.304 1 0 KKAFRO C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028129336 561905432 /nfs/dbraw/zinc/90/54/32/561905432.db2.gz QVFTZVPVDAIMDC-AAUBNCJJSA-N 1 0 561.748 5.527 1 0 KKAFRO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCC[NH+]4CCCCC4)cc3)nc21 ZINC000028130338 561905600 /nfs/dbraw/zinc/90/56/00/561905600.db2.gz OLWJSODXWCWDPX-UHFFFAOYSA-N 1 0 594.543 6.398 1 0 KKAFRO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000028133486 561906220 /nfs/dbraw/zinc/90/62/20/561906220.db2.gz MIRVXAPXRDRQMT-UHFFFAOYSA-N 1 0 538.850 8.287 1 0 KKAFRO Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](C[NH3+])CCCCNC(=O)OC2c3ccccc3-c3ccccc32)cc1 ZINC000028134913 561906476 /nfs/dbraw/zinc/90/64/76/561906476.db2.gz IQLNRYYYQGCXEO-DEOSSOPVSA-N 1 0 549.737 5.636 1 0 KKAFRO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136650 561906685 /nfs/dbraw/zinc/90/66/85/561906685.db2.gz SXVLTSDSQOWRHK-VSGBNLITSA-N 1 0 569.190 5.308 1 0 KKAFRO CCOc1cc(OCC)c2c(c1)oc(-c1ccc(OCC)c(OCC)c1)c(OCC[NH+](CC)CC)c2=O ZINC000028219203 561907198 /nfs/dbraw/zinc/90/71/98/561907198.db2.gz LVFCENXKFHRMAA-UHFFFAOYSA-N 1 0 513.631 5.775 1 0 KKAFRO COc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028223043 561907525 /nfs/dbraw/zinc/90/75/25/561907525.db2.gz DPBPMEFROJVLKV-UHFFFAOYSA-N 1 0 542.745 6.475 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1F)C(C)C ZINC000028331879 561912784 /nfs/dbraw/zinc/91/27/84/561912784.db2.gz YKHUVGGKDQRUNT-JGCGQSQUSA-N 1 0 545.699 5.308 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCCc1ccccc1)C(C)C ZINC000028332007 561912843 /nfs/dbraw/zinc/91/28/43/561912843.db2.gz HKNJDOKSAZDWKC-UMSFTDKQSA-N 1 0 555.763 5.949 1 0 KKAFRO COc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028335251 561913212 /nfs/dbraw/zinc/91/32/12/561913212.db2.gz INYBXIQUYWHWTN-HHHXNRCGSA-N 1 0 525.690 5.557 1 0 KKAFRO CC(=O)[C@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000028340833 561913997 /nfs/dbraw/zinc/91/39/97/561913997.db2.gz YZNDAQVUGOIYLF-LQJZCPKCSA-N 1 0 569.746 5.299 1 0 KKAFRO CC(=O)[C@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000028340826 561914042 /nfs/dbraw/zinc/91/40/42/561914042.db2.gz YZNDAQVUGOIYLF-JHOUSYSJSA-N 1 0 569.746 5.299 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028343920 561914488 /nfs/dbraw/zinc/91/44/88/561914488.db2.gz SHJZDANEWLENMX-AREMUKBSSA-N 1 0 563.661 6.567 1 0 KKAFRO Cc1ccc(Cl)c(OC2([C@@H](C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1 ZINC000028347693 561915072 /nfs/dbraw/zinc/91/50/72/561915072.db2.gz AFEMFTNPESLYFE-MUUNZHRXSA-N 1 0 534.104 6.148 1 0 KKAFRO OCCC1CC[NH+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028368255 561917939 /nfs/dbraw/zinc/91/79/39/561917939.db2.gz UJUYKKWTTSCBQE-URLMMPGGSA-N 1 0 507.652 5.538 1 0 KKAFRO C[N@@H+]1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 ZINC000028372890 561918556 /nfs/dbraw/zinc/91/85/56/561918556.db2.gz IOOCNUDRIJJIAZ-DEOSSOPVSA-N 1 0 574.216 5.024 1 0 KKAFRO CC(=O)Nc1ccc(C(=O)N(C)C[C@H](CC[NH+]2CCC(O)(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028375533 561919136 /nfs/dbraw/zinc/91/91/36/561919136.db2.gz QXWPIQQRYZJKEC-VWLOTQADSA-N 1 0 568.545 6.181 1 0 KKAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)C[NH+]1CCSCC1 ZINC000028385963 561921024 /nfs/dbraw/zinc/92/10/24/561921024.db2.gz RDSDHVFGSILSQU-INIZCTEOSA-N 1 0 545.048 5.378 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(Cl)c2)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000028461689 561925385 /nfs/dbraw/zinc/92/53/85/561925385.db2.gz ILWJAUZBOBRMBD-UHFFFAOYSA-N 1 0 542.938 8.759 1 0 KKAFRO COc1ccc(C[C@@H]2[C@H](OC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H](O)CN2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000028462278 561925508 /nfs/dbraw/zinc/92/55/08/561925508.db2.gz JTRGWAQDIPKDLT-FVIDNIPMSA-N 1 0 620.750 5.551 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc4ccccc4c3)c2=O)cc1 ZINC000028463747 561925937 /nfs/dbraw/zinc/92/59/37/561925937.db2.gz GRNSIBZYERIZCC-YPCYDDIISA-N 1 0 653.248 7.030 1 0 KKAFRO O=C(OCC[NH+]1CCCCC1)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000028471270 561927003 /nfs/dbraw/zinc/92/70/03/561927003.db2.gz UGLCAVLTXXXLHE-UHFFFAOYSA-N 1 0 523.258 6.251 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cnnc2ccccc21 ZINC000028471833 561927113 /nfs/dbraw/zinc/92/71/13/561927113.db2.gz QNOFODRHUMZNBU-FQEVSTJZSA-N 1 0 512.485 5.043 1 0 KKAFRO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028474829 561927743 /nfs/dbraw/zinc/92/77/43/561927743.db2.gz WCKZXUZPEYGEII-SFTDATJTSA-N 1 0 525.524 6.209 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ccccc2c1 ZINC000028474822 561927767 /nfs/dbraw/zinc/92/77/67/561927767.db2.gz DKULALWWMCGWHM-JOCHJYFZSA-N 1 0 510.509 6.253 1 0 KKAFRO Cc1ccc(C[N@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN2CCN(c3ccncc3)C2=O)cc1 ZINC000028475995 561928152 /nfs/dbraw/zinc/92/81/52/561928152.db2.gz WODLZXWJLATVAU-UHFFFAOYSA-N 1 0 541.095 6.534 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028477698 561928652 /nfs/dbraw/zinc/92/86/52/561928652.db2.gz VOOFRZVJPLENBV-IBGZPJMESA-N 1 0 525.480 5.288 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028477701 561928681 /nfs/dbraw/zinc/92/86/81/561928681.db2.gz VOOFRZVJPLENBV-LJQANCHMSA-N 1 0 525.480 5.288 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)c1ccccc1 ZINC000028521065 561929183 /nfs/dbraw/zinc/92/91/83/561929183.db2.gz YUAXCTRBLMOWPS-SSEXGKCCSA-N 1 0 621.634 6.077 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522559 561929545 /nfs/dbraw/zinc/92/95/45/561929545.db2.gz VTQSIRZSABRYHH-SZPZYZBQSA-N 1 0 506.650 5.608 1 0 KKAFRO O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028522932 561929715 /nfs/dbraw/zinc/92/97/15/561929715.db2.gz FDCXFDPTGGDPPT-DEOSSOPVSA-N 1 0 542.568 6.537 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523958 561930595 /nfs/dbraw/zinc/93/05/95/561930595.db2.gz IWLOGSSUYJFLKZ-XMMPIXPASA-N 1 0 505.490 5.815 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cccnc3)cs2)cc1 ZINC000028525205 561931171 /nfs/dbraw/zinc/93/11/71/561931171.db2.gz HUTWUVBHFWACHC-PMERELPUSA-N 1 0 570.740 5.462 1 0 KKAFRO O=S(=O)(c1ccc(Br)s1)n1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028526554 561932209 /nfs/dbraw/zinc/93/22/09/561932209.db2.gz ZHYYDISGIDQJTN-SFHVURJKSA-N 1 0 501.471 5.692 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000028528365 561933044 /nfs/dbraw/zinc/93/30/44/561933044.db2.gz WOFJBCANNLHJIE-HKBQPEDESA-N 1 0 548.749 5.176 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000028528563 561933182 /nfs/dbraw/zinc/93/31/82/561933182.db2.gz MQQOONUJSDUZQC-SSEXGKCCSA-N 1 0 536.713 5.307 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000028529022 561933565 /nfs/dbraw/zinc/93/35/65/561933565.db2.gz FYRSQAWWJXJDBF-DIPNUNPCSA-N 1 0 651.873 6.349 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])C[C@@H](C)C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)c1 ZINC000028566943 561936604 /nfs/dbraw/zinc/93/66/04/561936604.db2.gz CFGDZHHUKZKWPM-FXLHSRMHSA-N 1 0 655.884 5.101 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1cnc(NC(=O)c2cccc(Cl)c2)nc1 ZINC000028571626 561939381 /nfs/dbraw/zinc/93/93/81/561939381.db2.gz VORYRVZJHGILPD-UHFFFAOYSA-N 1 0 548.047 5.333 1 0 KKAFRO O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1N1CCC(F)(F)CC1 ZINC000028572003 561939674 /nfs/dbraw/zinc/93/96/74/561939674.db2.gz QEWJDKVCDFGZSN-JWQCQUIFSA-N 1 0 528.043 6.101 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000028635676 561941020 /nfs/dbraw/zinc/94/10/20/561941020.db2.gz YALBXFIFOCHJSI-RUZDIDTESA-N 1 0 547.490 5.784 1 0 KKAFRO COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028636247 561941249 /nfs/dbraw/zinc/94/12/49/561941249.db2.gz QEEMISQABWDGFJ-GDLZYMKVSA-N 1 0 550.707 5.129 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCCC[N@H+](C)CCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639248 561942553 /nfs/dbraw/zinc/94/25/53/561942553.db2.gz RTCSYCRCCXZAIT-WUKNDPDISA-N 1 0 645.790 6.204 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028639245 561942588 /nfs/dbraw/zinc/94/25/88/561942588.db2.gz XSJLCPGPJJOXCK-FMQUCBEESA-N 1 0 615.767 6.897 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000028643962 561944260 /nfs/dbraw/zinc/94/42/60/561944260.db2.gz WLZHGXRFLCIBPM-CLJLJLNGSA-N 1 0 589.680 5.643 1 0 KKAFRO COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000028709291 561950639 /nfs/dbraw/zinc/95/06/39/561950639.db2.gz XUKMGDYJPVBSDG-UMSFTDKQSA-N 1 0 566.723 6.542 1 0 KKAFRO CCCCCC(C(=O)NCCC[NH+]1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028710120 561950979 /nfs/dbraw/zinc/95/09/79/561950979.db2.gz ZSVOQOFSUFNFFR-UHFFFAOYSA-N 1 0 567.818 7.533 1 0 KKAFRO CC(C)C(=O)Nc1cc(C2CC[NH+](CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F ZINC000028710177 561951015 /nfs/dbraw/zinc/95/10/15/561951015.db2.gz PHZFASCDZWDOQJ-UHFFFAOYSA-N 1 0 569.643 6.355 1 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(CNS(C)(=O)=O)c3)C[C@@H]2C1)C(C)C ZINC000028650145 561945944 /nfs/dbraw/zinc/94/59/44/561945944.db2.gz HSSCXHCWSGPAFF-RFJFUGTDSA-N 1 0 593.209 5.991 1 0 KKAFRO Cc1ccc(CSc2cc[n+](CCCCCCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC[C@H]43)cc2)cc1 ZINC000028655205 561946550 /nfs/dbraw/zinc/94/65/50/561946550.db2.gz HKEIJUIFDFXGHN-NYDUWQFHSA-N 1 0 582.874 9.030 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[NH+]2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702723 561947142 /nfs/dbraw/zinc/94/71/42/561947142.db2.gz XYDYESRSSYTWAT-QHCPKHFHSA-N 1 0 652.665 6.616 1 0 KKAFRO CC(C)C(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702795 561947319 /nfs/dbraw/zinc/94/73/19/561947319.db2.gz KJIGJEKEYRGJIH-RUZDIDTESA-N 1 0 640.694 7.445 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702896 561947430 /nfs/dbraw/zinc/94/74/30/561947430.db2.gz DJZGCVPXKKXFCC-POGNPZRZSA-N 1 0 712.760 8.530 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702914 561947493 /nfs/dbraw/zinc/94/74/93/561947493.db2.gz QWNVTHCYECOXOH-JXWWNXESSA-N 1 0 713.748 7.925 1 0 KKAFRO COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC[NH+](C)C)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710603 561951503 /nfs/dbraw/zinc/95/15/03/561951503.db2.gz SCYJKQUPJVASAH-UHFFFAOYSA-N 1 0 638.816 5.452 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028703992 561948094 /nfs/dbraw/zinc/94/80/94/561948094.db2.gz UAKDPJAUOVRMIX-JVRHDVHHSA-N 1 0 550.587 7.206 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704016 561948102 /nfs/dbraw/zinc/94/81/02/561948102.db2.gz JZQUTVIGHZYROK-JBNUINKBSA-N 1 0 590.652 7.986 1 0 KKAFRO COC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704031 561948122 /nfs/dbraw/zinc/94/81/22/561948122.db2.gz BZZXSUHOLOFNJP-JEDUBMGFSA-N 1 0 580.613 6.832 1 0 KKAFRO COC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704036 561948141 /nfs/dbraw/zinc/94/81/41/561948141.db2.gz BZZXSUHOLOFNJP-JHYPHSFXSA-N 1 0 580.613 6.832 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@@](CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704076 561948274 /nfs/dbraw/zinc/94/82/74/561948274.db2.gz CDCVHCPYWPPPPI-LQDGZOJUSA-N 1 0 554.672 7.496 1 0 KKAFRO O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000028704481 561948580 /nfs/dbraw/zinc/94/85/80/561948580.db2.gz TXRYRZSQIMOUKK-UHFFFAOYSA-N 1 0 559.645 6.168 1 0 KKAFRO O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028704285 561948595 /nfs/dbraw/zinc/94/85/95/561948595.db2.gz OWIFBWCJHQUBFT-VPUSJEBWSA-N 1 0 546.133 5.321 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccc(C)nc5)cc4)CC3)C2=O)c1 ZINC000028704496 561948698 /nfs/dbraw/zinc/94/86/98/561948698.db2.gz PIUQYOUZNARGQR-UHFFFAOYSA-N 1 0 564.661 6.208 1 0 KKAFRO CC[N@@H+]1CCC[C@@H](CCn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2OC)C1 ZINC000028711912 561952425 /nfs/dbraw/zinc/95/24/25/561952425.db2.gz XLXKUHJSJAEFMA-NRFANRHFSA-N 1 0 502.058 6.515 1 0 KKAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1F ZINC000028712026 561952663 /nfs/dbraw/zinc/95/26/63/561952663.db2.gz FSWMJRIVQDJZRP-HHHXNRCGSA-N 1 0 535.063 5.734 1 0 in-vivo KKAFRO O=C(Cc1ccc(OC2CC[NH+](CC3CC3)CC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000028759018 561957460 /nfs/dbraw/zinc/95/74/60/561957460.db2.gz FESJTQVJBDVIDG-UHFFFAOYSA-N 1 0 601.666 5.571 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cc(F)cc(F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028713462 561953975 /nfs/dbraw/zinc/95/39/75/561953975.db2.gz QTQASUULOIKNBM-ZOVYIVPUSA-N 1 0 739.864 5.693 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000028713497 561954090 /nfs/dbraw/zinc/95/40/90/561954090.db2.gz FJUKOXWSIGULLE-RRIHNECGSA-N 1 0 703.884 5.586 1 0 KKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3C[C@@H](C2)N3C/C=C/c2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000028713799 561954162 /nfs/dbraw/zinc/95/41/62/561954162.db2.gz XEDMXCZQRHSJSF-MHGGUPSASA-N 1 0 510.628 6.696 1 0 KKAFRO NC(=[NH2+])SCCOc1oc(=O)c2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2c1Cl ZINC000028758028 561957076 /nfs/dbraw/zinc/95/70/76/561957076.db2.gz NDNYGOAUDCHGOK-UHFFFAOYSA-N 1 0 523.014 5.363 1 0 KKAFRO COc1ccc2c(c1)OCC(c1ccc(Br)cc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028761797 561958236 /nfs/dbraw/zinc/95/82/36/561958236.db2.gz MYHHBTKUCJOXKI-UHFFFAOYSA-N 1 0 506.440 6.284 1 0 KKAFRO CC(=O)Nc1ccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]52[C@@]4(O)C3)cc1 ZINC000028762569 561958442 /nfs/dbraw/zinc/95/84/42/561958442.db2.gz VTEOPMPNIMOFCE-OGICNVKRSA-N 1 0 561.682 5.053 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CCC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 ZINC000028765144 561959365 /nfs/dbraw/zinc/95/93/65/561959365.db2.gz ZLPGKEGAFJLKOK-MGBGTMOVSA-N 1 0 640.677 6.647 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765216 561959512 /nfs/dbraw/zinc/95/95/12/561959512.db2.gz GLFJJJVLKJNYOY-MGBGTMOVSA-N 1 0 577.596 7.457 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CCC[C@@]3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 ZINC000028766446 561959685 /nfs/dbraw/zinc/95/96/85/561959685.db2.gz WAACBTLXCIQAPC-MGBGTMOVSA-N 1 0 640.677 6.761 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](CCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028769962 561961033 /nfs/dbraw/zinc/96/10/33/561961033.db2.gz KFBKIRHZLSJEFI-CTLZPSQBSA-N 1 0 662.871 7.770 1 0 KKAFRO c1ccc(C(CCC[NH+]2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816215 561964031 /nfs/dbraw/zinc/96/40/31/561964031.db2.gz LCOHBFLNTLGXJE-OCQXTOTRSA-N 1 0 652.879 9.213 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816283 561964090 /nfs/dbraw/zinc/96/40/90/561964090.db2.gz MAINIDSGKSBIQJ-OCQXTOTRSA-N 1 0 652.879 9.213 1 0 KKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CCC[NH+](C)C)ccn32)n1)c1ccccc1 ZINC000028822156 561966702 /nfs/dbraw/zinc/96/67/02/561966702.db2.gz WYKQRLAUQMWREL-QHCPKHFHSA-N 1 0 537.687 6.154 1 0 KKAFRO COc1cc(-c2csc3c2c(N)ncc3/C=C/CN2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822590 561967342 /nfs/dbraw/zinc/96/73/42/561967342.db2.gz NDNFHQMGFQRRBP-SOFGYWHQSA-N 1 0 566.731 5.559 1 0 KKAFRO CC[NH+](CC)C/C=C\c1cnc(N)c2c(-c3ccc(NC(=O)c4cc5ccccc5n4C)c(OC)c3)csc21 ZINC000028822584 561967344 /nfs/dbraw/zinc/96/73/44/561967344.db2.gz HFNVVIKLQRUGQK-LUAWRHEFSA-N 1 0 539.705 6.653 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nn[nH]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823043 561967737 /nfs/dbraw/zinc/96/77/37/561967737.db2.gz JIISZZHGLCYZHX-HSZRJFAPSA-N 1 0 659.732 6.700 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Cl)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823417 561968074 /nfs/dbraw/zinc/96/80/74/561968074.db2.gz NTWAGIMASKPMMC-UHFFFAOYSA-N 1 0 552.207 7.844 1 0 KKAFRO CC[NH2+][C@@H](CC(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823893 561968557 /nfs/dbraw/zinc/96/85/57/561968557.db2.gz AGENZPFZMBQUPS-RRPNLBNLSA-N 1 0 577.572 5.712 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824108 561969008 /nfs/dbraw/zinc/96/90/08/561969008.db2.gz KDBUZGGEXCZECZ-GKRYNVPLSA-N 1 0 569.165 5.606 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879341 561976309 /nfs/dbraw/zinc/97/63/09/561976309.db2.gz OQRTUCNCZGBLPM-FQLXRVMXSA-N 1 0 622.178 6.522 1 0 KKAFRO COc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1Br ZINC000028826059 561971111 /nfs/dbraw/zinc/97/11/11/561971111.db2.gz FCVNTBUKCMGQRL-UHFFFAOYSA-N 1 0 700.762 9.053 1 0 KKAFRO O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CC[NH+](CCN2C(=O)COc3ccccc32)CC1 ZINC000028826511 561971347 /nfs/dbraw/zinc/97/13/47/561971347.db2.gz OWZXHVOZRYMMLN-UHFFFAOYSA-N 1 0 615.174 5.227 1 0 KKAFRO O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CC[NH+](CCN2C(=O)COc3ccccc32)CC1 ZINC000028826523 561971350 /nfs/dbraw/zinc/97/13/50/561971350.db2.gz ZHRDWMWOBFHRJH-UHFFFAOYSA-N 1 0 644.216 5.297 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879624 561976436 /nfs/dbraw/zinc/97/64/36/561976436.db2.gz HFCBNESMBVZUHP-VMPREFPWSA-N 1 0 622.178 6.522 1 0 KKAFRO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[N@@H+]1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972816 /nfs/dbraw/zinc/97/28/16/561972816.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 1 0 620.144 5.040 1 0 KKAFRO C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000028879553 561976447 /nfs/dbraw/zinc/97/64/47/561976447.db2.gz UTHMUINLECVICV-WHBJXLRSSA-N 1 0 550.096 5.115 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c(C(C)C)c1 ZINC000028869478 561973759 /nfs/dbraw/zinc/97/37/59/561973759.db2.gz YVHWUKVWERGOAZ-UMSFTDKQSA-N 1 0 676.820 8.560 1 0 KKAFRO O=C(NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 ZINC000028869777 561973799 /nfs/dbraw/zinc/97/37/99/561973799.db2.gz PKGJBHXJYDGBET-GDLZYMKVSA-N 1 0 518.126 6.472 1 0 KKAFRO COc1ccccc1[C@H](c1ccccc1)N1CC[NH+](CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869852 561973869 /nfs/dbraw/zinc/97/38/69/561973869.db2.gz GUWMGLWQORYQFJ-PMERELPUSA-N 1 0 513.707 5.827 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NCc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874978 561975431 /nfs/dbraw/zinc/97/54/31/561975431.db2.gz ISDZBFORXHKYAN-JGCGQSQUSA-N 1 0 584.761 5.567 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NC(C)(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874934 561975442 /nfs/dbraw/zinc/97/54/42/561975442.db2.gz HYIZZMKORUTBGZ-MUUNZHRXSA-N 1 0 550.744 5.165 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NC(C)(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874930 561975466 /nfs/dbraw/zinc/97/54/66/561975466.db2.gz HYIZZMKORUTBGZ-NDEPHWFRSA-N 1 0 550.744 5.165 1 0 KKAFRO O=C(Nc1ccccc1C(=O)Nc1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 ZINC000028877213 561975895 /nfs/dbraw/zinc/97/58/95/561975895.db2.gz JCKRZMGEVAGHHV-UHFFFAOYSA-N 1 0 526.640 6.340 1 0 in-vivo KKAFRO O=C(OC[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880485 561976762 /nfs/dbraw/zinc/97/67/62/561976762.db2.gz ONCGWUSDKWZDEA-XMMPIXPASA-N 1 0 550.096 5.076 1 0 KKAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887152 561977677 /nfs/dbraw/zinc/97/76/77/561977677.db2.gz YLNOGPJREAMGJN-SANMLTNESA-N 1 0 595.531 5.243 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887333 561977793 /nfs/dbraw/zinc/97/77/93/561977793.db2.gz HCJUSKUWEJDLIV-QFIPXVFZSA-N 1 0 567.561 7.395 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887478 561977928 /nfs/dbraw/zinc/97/79/28/561977928.db2.gz RLXPKABGYGNYMI-DEOSSOPVSA-N 1 0 564.696 7.661 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 ZINC000028887490 561977934 /nfs/dbraw/zinc/97/79/34/561977934.db2.gz GXKJZUWSVBTRHO-OAQYLSRUSA-N 1 0 515.529 6.796 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C)C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889659 561978026 /nfs/dbraw/zinc/97/80/26/561978026.db2.gz MZINAXOPBUWVQD-KDYSTLNUSA-N 1 0 549.090 5.918 1 0 KKAFRO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCn2ccnc2C1 ZINC000028889712 561978182 /nfs/dbraw/zinc/97/81/82/561978182.db2.gz XOKGJXJBSQRSGL-FNZWTVRRSA-N 1 0 558.057 6.040 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccc2)n1C ZINC000028897636 561979395 /nfs/dbraw/zinc/97/93/95/561979395.db2.gz AZTSGCZWMJWVIL-UHFFFAOYSA-N 1 0 579.091 5.766 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)c3ccccc23)cc1 ZINC000028899794 561979663 /nfs/dbraw/zinc/97/96/63/561979663.db2.gz VFEHODIZKYENNZ-UHFFFAOYSA-N 1 0 586.784 7.690 1 0 KKAFRO C[C@]1([NH3+])COCc2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)C(=O)N[C@@H](c2ccccc2)CCc2cccc(c2)C1 ZINC000028949963 561981056 /nfs/dbraw/zinc/98/10/56/561981056.db2.gz YQCXBXAPKBPJHP-ZFEZZJPFSA-N 1 0 583.754 5.678 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957842 561983462 /nfs/dbraw/zinc/98/34/62/561983462.db2.gz PFJTWZUXOGDMOI-KRXBUXKQSA-N 1 0 505.917 7.168 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(CNC(=O)N3CCOCC3)CC2)c1 ZINC000028961649 561984306 /nfs/dbraw/zinc/98/43/06/561984306.db2.gz NFAQAKZFRDPVRK-UHFFFAOYSA-N 1 0 645.914 6.241 1 0 KKAFRO COC1CCN(C(=O)C2CC[NH+](CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)CC1 ZINC000028961715 561984435 /nfs/dbraw/zinc/98/44/35/561984435.db2.gz MEWSGCMVRSEDNY-UHFFFAOYSA-N 1 0 644.926 6.836 1 0 KKAFRO COc1cc(C(=O)N2CC[C@]3(C=C(C4=[NH+]CCN4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962507 561984627 /nfs/dbraw/zinc/98/46/27/561984627.db2.gz YHIQDROWCNXSMH-YTTGMZPUSA-N 1 0 573.068 6.041 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@@H](C(=O)NCc3ccccc3)N3CC[NH+](CCc4ccccc4)CC3)cc2s1 ZINC000028976427 561986926 /nfs/dbraw/zinc/98/69/26/561986926.db2.gz QVYBBNKTNFSOSC-UMSFTDKQSA-N 1 0 603.792 5.954 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039350 561989731 /nfs/dbraw/zinc/98/97/31/561989731.db2.gz LCZSFRYSYIROLS-QXTIUPHPSA-N 1 0 637.143 5.119 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039360 561989734 /nfs/dbraw/zinc/98/97/34/561989734.db2.gz LPQTXTTUFMREGA-UMXIMWEHSA-N 1 0 524.027 5.831 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039342 561989749 /nfs/dbraw/zinc/98/97/49/561989749.db2.gz SQWVOXOCDCWIEB-WPFOTENUSA-N 1 0 538.010 5.010 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039348 561989769 /nfs/dbraw/zinc/98/97/69/561989769.db2.gz LCZSFRYSYIROLS-ZEZDXWPOSA-N 1 0 637.143 5.119 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cncnc3)CC2)C1 ZINC000029041090 561990940 /nfs/dbraw/zinc/99/09/40/561990940.db2.gz JCJWFLPZJBEMKB-NOZRDPDXSA-N 1 0 542.568 6.205 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)OC(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041066 561990959 /nfs/dbraw/zinc/99/09/59/561990959.db2.gz XRFFPLYJFXWUFL-FQLPYIGMSA-N 1 0 541.136 5.356 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(OC)cc2F)CC1 ZINC000029043274 561991980 /nfs/dbraw/zinc/99/19/80/561991980.db2.gz NCLQWDCIPKHQBS-UNRZKBSHSA-N 1 0 572.165 6.295 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 ZINC000029043364 561992067 /nfs/dbraw/zinc/99/20/67/561992067.db2.gz PWADIMGJQZHREF-GKRYNVPLSA-N 1 0 576.584 6.940 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029044996 561992406 /nfs/dbraw/zinc/99/24/06/561992406.db2.gz FCJXOAAUKSLZHR-PUNHFCBRSA-N 1 0 556.534 5.976 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000029045124 561992429 /nfs/dbraw/zinc/99/24/29/561992429.db2.gz JGGIBNPWDXNMML-PXUJGGOKSA-N 1 0 544.498 6.106 1 0 KKAFRO O=C(/C=C/c1cccc(Br)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045432 561992461 /nfs/dbraw/zinc/99/24/61/561992461.db2.gz RNDDGSPVPFHWQM-JTEDLNRPSA-N 1 0 536.514 5.423 1 0 KKAFRO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045590 561992514 /nfs/dbraw/zinc/99/25/14/561992514.db2.gz DPNVSUWPCQJXKN-JTEDLNRPSA-N 1 0 525.615 5.679 1 0 KKAFRO CC[C@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)[NH2+]C1CCCC1 ZINC000029045797 561992622 /nfs/dbraw/zinc/99/26/22/561992622.db2.gz FMLZUVLSVOQILD-GOSISDBHSA-N 1 0 582.038 6.164 1 0 KKAFRO c1ccc(-c2cc3ccncc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000029048929 561993763 /nfs/dbraw/zinc/99/37/63/561993763.db2.gz UHKBJJRMTMPHQL-UHFFFAOYSA-N 1 0 523.644 6.524 1 0 KKAFRO c1c(-c2ccccn2)n[nH]c1C1CC[NH+](Cc2ccc(-c3nc4ncccc4cc3-c3ccccc3)cc2)CC1 ZINC000029049245 561994022 /nfs/dbraw/zinc/99/40/22/561994022.db2.gz XNSNKBMHPMOFOQ-UHFFFAOYSA-N 1 0 522.656 7.129 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncco4)c3=O)CC2)C(C)C)c1 ZINC000029061961 561995866 /nfs/dbraw/zinc/99/58/66/561995866.db2.gz KASWPDSWITZTPK-MHZLTWQESA-N 1 0 518.658 5.287 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncco4)c3=O)CC2)C(C)C)c1 ZINC000029061967 561995912 /nfs/dbraw/zinc/99/59/12/561995912.db2.gz KASWPDSWITZTPK-HHHXNRCGSA-N 1 0 518.658 5.287 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cc(C)on4)c3=O)CC2)C(C)C)c1 ZINC000029061771 561995916 /nfs/dbraw/zinc/99/59/16/561995916.db2.gz IDLRMEJDJHCABK-GDLZYMKVSA-N 1 0 532.685 5.595 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]cn4)c3=O)CC2)C(C)C)c1 ZINC000029063890 561996321 /nfs/dbraw/zinc/99/63/21/561996321.db2.gz GTBORSPXGZQYLC-MUUNZHRXSA-N 1 0 517.674 5.022 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126961 561999149 /nfs/dbraw/zinc/99/91/49/561999149.db2.gz RCVHDPWYXTVRFR-QJJDOSOUSA-N 1 0 554.488 5.786 1 0 KKAFRO Nc1n[nH]c2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126919 561999180 /nfs/dbraw/zinc/99/91/80/561999180.db2.gz WTOLMDZZQMSFOI-UHFFFAOYSA-N 1 0 515.621 5.354 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1 ZINC000029127012 561999356 /nfs/dbraw/zinc/99/93/56/561999356.db2.gz AGHXSXMZVMLSGU-UHFFFAOYSA-N 1 0 522.622 5.298 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029127231 561999674 /nfs/dbraw/zinc/99/96/74/561999674.db2.gz RKDBVDKLNHXCIZ-UHFFFAOYSA-N 1 0 580.680 6.780 1 0 KKAFRO Cc1nc2cc3c(c(C)c2o1)CC[N@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127363 561999756 /nfs/dbraw/zinc/99/97/56/561999756.db2.gz BFIAPIAYPVHYPQ-UHFFFAOYSA-N 1 0 526.710 6.070 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127414 561999796 /nfs/dbraw/zinc/99/97/96/561999796.db2.gz JQVYPXIHEOFUGD-UHFFFAOYSA-N 1 0 554.764 5.676 1 0 KKAFRO CCc1nc2cc3c(c(C)c2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127468 561999820 /nfs/dbraw/zinc/99/98/20/561999820.db2.gz SVBOCVYSHIJYID-UHFFFAOYSA-N 1 0 526.710 5.934 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4ccc5nc(C(C)(F)F)oc5c4CC3)n2C)n1 ZINC000029127523 561999908 /nfs/dbraw/zinc/99/99/08/561999908.db2.gz IWYNZVSUMFYFCF-UHFFFAOYSA-N 1 0 548.663 6.175 1 0 KKAFRO Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(c5cc(-c6ccncc6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029127530 561999945 /nfs/dbraw/zinc/99/99/45/561999945.db2.gz AOWZAMGXVRSMQI-UHFFFAOYSA-N 1 0 538.659 6.106 1 0 KKAFRO Cc1cccc(C)c1C(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCC[NH+]5CCCC5)cc4)nnc3c2)c1 ZINC000029135783 562004460 /nfs/dbraw/zinc/00/44/60/562004460.db2.gz AEPDSJKVTDZJTM-UHFFFAOYSA-N 1 0 608.142 7.708 1 0 KKAFRO Cc1cc(-c2cc(OC(=O)C(C)(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135994 562004675 /nfs/dbraw/zinc/00/46/75/562004675.db2.gz VMAYNHSQODIFFJ-UHFFFAOYSA-N 1 0 560.098 6.823 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000029213478 562006170 /nfs/dbraw/zinc/00/61/70/562006170.db2.gz PMGJGWUEROWQJW-LHEWISCISA-N 1 0 672.830 5.762 1 0 KKAFRO CCCc1cc(O)cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029217118 562006646 /nfs/dbraw/zinc/00/66/46/562006646.db2.gz WKOXDPCSUWAONV-BVRKHOPBSA-N 1 0 501.623 6.015 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 ZINC000029222798 562007517 /nfs/dbraw/zinc/00/75/17/562007517.db2.gz SQEFOEMJQGYSCJ-LJAQVGFWSA-N 1 0 575.735 5.311 1 0 KKAFRO COc1ccc([C@@H]2C(C(=O)OCC[NH+](C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329241 562013601 /nfs/dbraw/zinc/01/36/01/562013601.db2.gz XNDRHSZPAQLJFC-HSZRJFAPSA-N 1 0 518.466 5.839 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330488 562013852 /nfs/dbraw/zinc/01/38/52/562013852.db2.gz WVXGQIOPZMEAOO-RRPNLBNLSA-N 1 0 523.489 5.777 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 ZINC000029311018 562012054 /nfs/dbraw/zinc/01/20/54/562012054.db2.gz ULLVAYMMOWPMRM-PMERELPUSA-N 1 0 590.652 5.272 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 ZINC000029317694 562012611 /nfs/dbraw/zinc/01/26/11/562012611.db2.gz JLPKGMBSBXCEAC-PMERELPUSA-N 1 0 572.662 5.133 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341468 562015350 /nfs/dbraw/zinc/01/53/50/562015350.db2.gz VHKWEWIRNGEUJD-JOCHJYFZSA-N 1 0 506.430 5.969 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC([NH3+])CC1)C(C1CCCCC1)C1CCCCC1 ZINC000029341769 562015364 /nfs/dbraw/zinc/01/53/64/562015364.db2.gz CBEXERXCNKPYLG-OGBQDBMZSA-N 1 0 560.824 5.281 1 0 KKAFRO O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029390055 562017173 /nfs/dbraw/zinc/01/71/73/562017173.db2.gz SVHRYTCAXFKCFS-IZZNHLLZSA-N 1 0 504.461 6.547 1 0 KKAFRO COc1cc(C(=O)N2CCOC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029397111 562018885 /nfs/dbraw/zinc/01/88/85/562018885.db2.gz RWSBBXFLRGQFQP-OXCVABKISA-N 1 0 673.659 6.031 1 0 KKAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@H]2[C@H]3[C@@H](CCCCC(N)=[NH2+])C(=O)N2CCCCCc2ccccc2)c1 ZINC000029402485 562019972 /nfs/dbraw/zinc/01/99/72/562019972.db2.gz ZIDHHXAACGJDRP-SHXLRKJTSA-N 1 0 592.828 7.212 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)C(C)(C)C ZINC000029411736 562021942 /nfs/dbraw/zinc/02/19/42/562021942.db2.gz BXFVXTTVMJRTHA-UHFFFAOYSA-N 1 0 616.872 7.239 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029413054 562022284 /nfs/dbraw/zinc/02/22/84/562022284.db2.gz SMWNCXKOTUSXIC-NRFANRHFSA-N 1 0 546.071 6.828 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029415670 562022860 /nfs/dbraw/zinc/02/28/60/562022860.db2.gz GTZRWABUMPGTQA-IBGZPJMESA-N 1 0 509.050 6.073 1 0 KKAFRO Cc1ccc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@H]2CCCC[NH2+]2)cc1C ZINC000029461820 562023277 /nfs/dbraw/zinc/02/32/77/562023277.db2.gz JWTNLMHCFUVQFQ-LJQANCHMSA-N 1 0 509.050 6.073 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4cncnc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029465931 562024410 /nfs/dbraw/zinc/02/44/10/562024410.db2.gz GGUCKNMOSIHLKI-FQEVSTJZSA-N 1 0 547.059 6.223 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)c4cncnc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029465907 562024417 /nfs/dbraw/zinc/02/44/17/562024417.db2.gz PSEYHHZOMVTYMJ-NRFANRHFSA-N 1 0 532.044 5.831 1 0 KKAFRO CCCCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029467095 562024591 /nfs/dbraw/zinc/02/45/91/562024591.db2.gz LIMKMXRSWFOHST-UHFFFAOYSA-N 1 0 545.149 7.595 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)cc(C)c1C ZINC000029467639 562024843 /nfs/dbraw/zinc/02/48/43/562024843.db2.gz LQGVIIDLWCIUBJ-NRFANRHFSA-N 1 0 546.071 6.139 1 0 KKAFRO CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029468826 562025110 /nfs/dbraw/zinc/02/51/10/562025110.db2.gz OUNBFWKPOLGSDQ-UHFFFAOYSA-N 1 0 607.220 8.428 1 0 KKAFRO CCCCCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029469378 562025178 /nfs/dbraw/zinc/02/51/78/562025178.db2.gz AITMCGFJWPXKEX-UHFFFAOYSA-N 1 0 559.176 7.986 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@H](C)[NH2+]2)cc(C)c1C ZINC000029470575 562025554 /nfs/dbraw/zinc/02/55/54/562025554.db2.gz ZDGGGPCRYRKTBH-UGKGYDQZSA-N 1 0 560.098 6.528 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000029471277 562025558 /nfs/dbraw/zinc/02/55/58/562025558.db2.gz KAMIRJQFZYYXDX-CTNGQTDRSA-N 1 0 546.071 6.219 1 0 KKAFRO CC(C)(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000029476038 562026476 /nfs/dbraw/zinc/02/64/76/562026476.db2.gz KMFIWNXAYBGLGI-UHFFFAOYSA-N 1 0 529.700 6.067 1 0 KKAFRO Cn1cc(C2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 ZINC000029478450 562026807 /nfs/dbraw/zinc/02/68/07/562026807.db2.gz MCZPYPFSNHBWJO-UXBLZVDNSA-N 1 0 514.497 6.370 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3cc(O)ccc32)CC1 ZINC000029479665 562027014 /nfs/dbraw/zinc/02/70/14/562027014.db2.gz DNYSOLPQKMHVCF-WEVVVXLNSA-N 1 0 500.470 6.360 1 0 KKAFRO Cc1[nH]c2ccc(O)cc2c1C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000029484316 562028024 /nfs/dbraw/zinc/02/80/24/562028024.db2.gz LISWCGNYNKBWAV-UXBLZVDNSA-N 1 0 514.497 6.668 1 0 KKAFRO CCOC(=O)N1CC[NH+](CCCCCC(=O)N[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)CC1 ZINC000029486040 562028355 /nfs/dbraw/zinc/02/83/55/562028355.db2.gz GWDSOXJOOIZXIW-PMERELPUSA-N 1 0 593.813 6.247 1 0 KKAFRO Cc1oc2c(c1C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560610 562033081 /nfs/dbraw/zinc/03/30/81/562033081.db2.gz RAFQPUGTCFMNKH-DLKLHXKQSA-N 1 0 596.749 7.613 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029550178 562030834 /nfs/dbraw/zinc/03/08/34/562030834.db2.gz JXHBQZRXZKSNND-GDLZYMKVSA-N 1 0 550.677 5.404 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccncc1 ZINC000029550520 562030937 /nfs/dbraw/zinc/03/09/37/562030937.db2.gz RROMQNGIPKECSR-PGSFLWIGSA-N 1 0 679.858 6.749 1 0 KKAFRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553766 562031680 /nfs/dbraw/zinc/03/16/80/562031680.db2.gz WKQSQQHHTZBHTH-DTXPUJKBSA-N 1 0 601.754 5.842 1 0 KKAFRO CCCC(O)(CCC)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029554832 562031977 /nfs/dbraw/zinc/03/19/77/562031977.db2.gz VQBKCXBPQSWWAZ-RUZDIDTESA-N 1 0 533.584 7.283 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2c(OC)cccc2OC)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556189 562032057 /nfs/dbraw/zinc/03/20/57/562032057.db2.gz FOHPCRQSIZLSLN-LJAQVGFWSA-N 1 0 552.693 5.302 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2cc(OC)cc(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556633 562032219 /nfs/dbraw/zinc/03/22/19/562032219.db2.gz DYHQEOVEHIOOKX-GDLZYMKVSA-N 1 0 552.693 5.302 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC1CCCCC1)(C(=O)OCC1CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029556996 562032317 /nfs/dbraw/zinc/03/23/17/562032317.db2.gz RMKPONPOKHSDDT-BTYSJIOQSA-N 1 0 614.179 6.309 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563589 562033814 /nfs/dbraw/zinc/03/38/14/562033814.db2.gz HFVUTJSHZQSUHO-MUUNZHRXSA-N 1 0 552.718 5.814 1 0 KKAFRO COc1ccc(SCCC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029563377 562033822 /nfs/dbraw/zinc/03/38/22/562033822.db2.gz FVJVHCWYAPQPJS-UHFFFAOYSA-N 1 0 504.675 6.291 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@H](C)OC(=O)c1ccccc1)(C(=O)O[C@H](C)OC(=O)c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563847 562033952 /nfs/dbraw/zinc/03/39/52/562033952.db2.gz HCQVPOVNXYRCSM-BHUVWSLTSA-N 1 0 718.155 5.554 1 0 KKAFRO N=C(Nc1ccc(Cl)cc1)Nc1nc(NCCCCC[NH+]2CCCC2)nc(C(Cl)(Cl)Cl)n1 ZINC000029564409 562034020 /nfs/dbraw/zinc/03/40/20/562034020.db2.gz NDGDRDYZRIFCCS-UHFFFAOYSA-N 1 0 520.296 5.488 1 0 KKAFRO CC(=O)O[C@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029565837 562034310 /nfs/dbraw/zinc/03/43/10/562034310.db2.gz RBGYRZGPRRMUNF-LJAQVGFWSA-N 1 0 538.704 6.219 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 ZINC000029571067 562035664 /nfs/dbraw/zinc/03/56/64/562035664.db2.gz BPQOOUVCSNMRHV-HKBQPEDESA-N 1 0 590.815 6.385 1 0 KKAFRO Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000029571854 562035846 /nfs/dbraw/zinc/03/58/46/562035846.db2.gz NZFYIDWRHCRROY-UHFFFAOYSA-N 1 0 559.758 7.058 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cccc(F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000034327264 562038816 /nfs/dbraw/zinc/03/88/16/562038816.db2.gz TZNPVFNZNVKXMU-UHFFFAOYSA-N 1 0 524.055 6.747 1 0 KKAFRO CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633582 562039411 /nfs/dbraw/zinc/03/94/11/562039411.db2.gz AKRYWPTVGWOAHW-YTTGMZPUSA-N 1 0 642.737 8.863 1 0 KKAFRO O=C(CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000034802112 562041690 /nfs/dbraw/zinc/04/16/90/562041690.db2.gz BHAUVKSALKMKRU-SLGZMBILSA-N 1 0 712.118 5.440 1 0 KKAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000034802105 562041708 /nfs/dbraw/zinc/04/17/08/562041708.db2.gz UUQTXJMGYQWWJC-RQOYOAKWSA-N 1 0 716.845 5.019 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+]2CCCCC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802910 562042226 /nfs/dbraw/zinc/04/22/26/562042226.db2.gz LGVKNYCGCBYCKK-UHFFFAOYSA-N 1 0 512.694 6.943 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](C(C)C)C(C)C)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802902 562042231 /nfs/dbraw/zinc/04/22/31/562042231.db2.gz SVHRGZJIJZFNIB-UHFFFAOYSA-N 1 0 528.737 7.576 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc4c(c3)OCO4)nc2)cc1 ZINC000034802895 562042232 /nfs/dbraw/zinc/04/22/32/562042232.db2.gz HHAFPUVIIKSFEA-UHFFFAOYSA-N 1 0 557.779 7.755 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802973 562042302 /nfs/dbraw/zinc/04/23/02/562042302.db2.gz JVCORHZVEQMEQL-UHFFFAOYSA-N 1 0 556.791 8.360 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C1CC1 ZINC000034804278 562043073 /nfs/dbraw/zinc/04/30/73/562043073.db2.gz AUGHKPPZWXWECG-DEOSSOPVSA-N 1 0 536.560 6.817 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Sc3ccccc3)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000036126783 562047588 /nfs/dbraw/zinc/04/75/88/562047588.db2.gz JMIYRUQSJMDHMG-UHFFFAOYSA-N 1 0 530.053 6.278 1 0 KKAFRO O=c1cc(NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc2n1Cc1ccccn1 ZINC000036126670 562047597 /nfs/dbraw/zinc/04/75/97/562047597.db2.gz SHCFFLWIRMAQPN-UHFFFAOYSA-N 1 0 509.053 6.328 1 0 KKAFRO CCOC(=O)[C@@H]1CCCN(C(=[NH2+])c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)C1 ZINC000036126797 562047803 /nfs/dbraw/zinc/04/78/03/562047803.db2.gz AVFMZQVTHCWXLS-LJQANCHMSA-N 1 0 568.461 5.493 1 0 KKAFRO CN(C)C(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036140667 562048000 /nfs/dbraw/zinc/04/80/00/562048000.db2.gz SDQYFCQKLHFFCE-OYTFCFBDSA-N 1 0 530.672 5.397 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccccc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]C3CCC(C)(C)CC3)C2)C1 ZINC000036151853 562048266 /nfs/dbraw/zinc/04/82/66/562048266.db2.gz YUTOYRGOUOLGGU-RPWUZVMVSA-N 1 0 508.732 5.314 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160568 562048504 /nfs/dbraw/zinc/04/85/04/562048504.db2.gz JEOIMYUIHSWTEE-LXANVCGNSA-N 1 0 613.818 7.581 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036161539 562048743 /nfs/dbraw/zinc/04/87/43/562048743.db2.gz DJRXDVJWHNWWTF-XUZZJYLKSA-N 1 0 567.674 5.167 1 0 KKAFRO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cn2)c(F)c1 ZINC000036161516 562048763 /nfs/dbraw/zinc/04/87/63/562048763.db2.gz HODSAEDXHNFKLP-UHFFFAOYSA-N 1 0 548.634 5.516 1 0 KKAFRO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CC[NH+](C4CCCC4)CC3)cn2)c(F)c1 ZINC000036161483 562048774 /nfs/dbraw/zinc/04/87/74/562048774.db2.gz ZYFYOPCEMPRIRH-UHFFFAOYSA-N 1 0 534.607 5.126 1 0 KKAFRO C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000036161723 562048943 /nfs/dbraw/zinc/04/89/43/562048943.db2.gz OBFHETLUNIYJRF-NLGDKJDOSA-N 1 0 555.744 6.113 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000036175748 562048990 /nfs/dbraw/zinc/04/89/90/562048990.db2.gz VFRCPJQHJURJOL-QFIPXVFZSA-N 1 0 543.527 6.270 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175803 562049020 /nfs/dbraw/zinc/04/90/20/562049020.db2.gz WUKMEFAUPMTRFB-NRFANRHFSA-N 1 0 533.521 6.815 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177576 562049461 /nfs/dbraw/zinc/04/94/61/562049461.db2.gz HWNUEXICYPJHRL-UXBLZVDNSA-N 1 0 572.364 6.840 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1Cc1cccnc1 ZINC000035975121 562046033 /nfs/dbraw/zinc/04/60/33/562046033.db2.gz MINVVCXPGANHIA-SANMLTNESA-N 1 0 511.592 5.272 1 0 KKAFRO CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)[NH2+]C[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080058 562046140 /nfs/dbraw/zinc/04/61/40/562046140.db2.gz RUCJIIMIRGBHTE-WIOPSUGQSA-N 1 0 578.157 5.944 1 0 KKAFRO c1csc(CNc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)n1 ZINC000036241932 562052098 /nfs/dbraw/zinc/05/20/98/562052098.db2.gz QMUJWFWCDUXRJK-UHFFFAOYSA-N 1 0 512.687 5.630 1 0 KKAFRO CC[NH+](CC)C[C@@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036284997 562053620 /nfs/dbraw/zinc/05/36/20/562053620.db2.gz AYFBIKAUTDMRMP-JBIUIVRGSA-N 1 0 622.298 5.619 1 0 KKAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(C2CCCCC2)C2CCCCC2)CC1 ZINC000036285050 562053772 /nfs/dbraw/zinc/05/37/72/562053772.db2.gz KAYOLOIWDZIKIR-ZQWAWDFXSA-N 1 0 605.267 6.468 1 0 KKAFRO C[NH2+][C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285499 562054194 /nfs/dbraw/zinc/05/41/94/562054194.db2.gz VBNFABXFFQVOSG-QHCPKHFHSA-N 1 0 530.462 6.600 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000036285580 562054211 /nfs/dbraw/zinc/05/42/11/562054211.db2.gz MBUOVFVHMFPNRZ-QFIPXVFZSA-N 1 0 510.000 5.716 1 0 KKAFRO CC[NH2+][C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)[C@H](C)CC ZINC000036285592 562054231 /nfs/dbraw/zinc/05/42/31/562054231.db2.gz WPUJAXJNCWKVQY-DWXRJYCRSA-N 1 0 544.489 6.990 1 0 KKAFRO C[C@@H]1C[C@H](C[C@@H]2CC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000036285980 562054504 /nfs/dbraw/zinc/05/45/04/562054504.db2.gz IKLPEMFMSKFWMF-ZDLAYCJVSA-N 1 0 513.770 7.478 1 0 KKAFRO Cc1cc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)ccc1Cl ZINC000036285858 562054513 /nfs/dbraw/zinc/05/45/13/562054513.db2.gz DTKGHZKFFVMHGS-DVECYGJZSA-N 1 0 510.044 6.241 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)cc1)c1ccc(F)cc1 ZINC000036338411 562057019 /nfs/dbraw/zinc/05/70/19/562057019.db2.gz JUFZAZPBSPFLIO-OZXSUGGESA-N 1 0 534.595 5.387 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 ZINC000036349207 562057872 /nfs/dbraw/zinc/05/78/72/562057872.db2.gz QDIDJSJXSMBMFE-WJOKGBTCSA-N 1 0 573.745 5.796 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351477 562058334 /nfs/dbraw/zinc/05/83/34/562058334.db2.gz CZSUCMAQMLGPBX-CONSDPRKSA-N 1 0 627.151 6.931 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000036351478 562058351 /nfs/dbraw/zinc/05/83/51/562058351.db2.gz DPIMUOJRFNNAHL-IHLOFXLRSA-N 1 0 584.727 6.615 1 0 KKAFRO CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000036351496 562058484 /nfs/dbraw/zinc/05/84/84/562058484.db2.gz TYCHPBQYNABPSC-KYJUHHDHSA-N 1 0 590.690 6.161 1 0 KKAFRO CC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351507 562058530 /nfs/dbraw/zinc/05/85/30/562058530.db2.gz MPNTZIOEROTOBG-WOEHHYBBSA-N 1 0 542.099 5.029 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCOc3ccc(F)cc3)C2)C1 ZINC000036351567 562058725 /nfs/dbraw/zinc/05/87/25/562058725.db2.gz VNZIZMRVSZYHBQ-IZLXSDGUSA-N 1 0 598.641 5.521 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(N)noc5c4)C[C@H]23)CC1 ZINC000036351577 562058733 /nfs/dbraw/zinc/05/87/33/562058733.db2.gz XLHNDXFCDIKZCH-MBEZDYHHSA-N 1 0 574.623 5.160 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc4cccnc43)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351656 562059012 /nfs/dbraw/zinc/05/90/12/562059012.db2.gz WTHCAMVZYWWKJH-BHVANESWSA-N 1 0 613.633 8.401 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(Cl)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351774 562059207 /nfs/dbraw/zinc/05/92/07/562059207.db2.gz PAOVRRFSIQMDKP-MGBGTMOVSA-N 1 0 597.030 8.506 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCCC3CCCCC3)C2)C1 ZINC000036351790 562059218 /nfs/dbraw/zinc/05/92/18/562059218.db2.gz QCSQRIWPBSVDSJ-FTJBHMTQSA-N 1 0 590.756 6.725 1 0 KKAFRO FC(F)(F)c1cc(C[NH2+][C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000036415058 562060588 /nfs/dbraw/zinc/06/05/88/562060588.db2.gz IJPXQDBNHGVJAQ-SVBPBHIXSA-N 1 0 518.545 7.109 1 0 KKAFRO CCN1c2c(ccc3ccccc23)S/C1=C\C=C(Cl)/C=C/c1sc2ccc3ccccc3c2[n+]1CC ZINC000038146314 562065167 /nfs/dbraw/zinc/06/51/67/562065167.db2.gz HGCHIPXGBFYAJU-UHFFFAOYSA-N 1 0 526.150 9.125 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(-c5cn[nH]c(=O)c5)c4)c3)cc2C(F)(F)F)CC1 ZINC000038146658 562065325 /nfs/dbraw/zinc/06/53/25/562065325.db2.gz FEGSIMPFJTUXFQ-UHFFFAOYSA-N 1 0 618.660 5.406 3 0 KKAFRO Cc1ccccc1/C=C/C[N@H+]1C[C@H](C)[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@H]1C2 ZINC000038147753 562065539 /nfs/dbraw/zinc/06/55/39/562065539.db2.gz ADQGIQSGEOKLRL-RAGWYKPHSA-N 1 0 548.771 7.153 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccsc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147755 562065544 /nfs/dbraw/zinc/06/55/44/562065544.db2.gz YVEPUFDZPRBZKX-POBAWSAGSA-N 1 0 542.789 6.825 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147764 562065566 /nfs/dbraw/zinc/06/55/66/562065566.db2.gz RAZMIDKOXTUBLK-XALKRQMTSA-N 1 0 564.814 7.544 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCC(c4ccc(F)cc4)CC3)ccc2c1 ZINC000038149730 562066245 /nfs/dbraw/zinc/06/62/45/562066245.db2.gz RQJWJHHGWVZDIQ-UHFFFAOYSA-N 1 0 581.116 7.835 1 0 KKAFRO CC(C)CC[N@H+]1[C@@H](C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)OC(C)(C)C)CCC[C@@H]1C ZINC000038150641 562066434 /nfs/dbraw/zinc/06/64/34/562066434.db2.gz KQBOOGKXOGILHG-MXSCXNJPSA-N 1 0 536.713 5.564 1 0 KKAFRO CC(C)CC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150648 562066459 /nfs/dbraw/zinc/06/64/59/562066459.db2.gz SIZIBPAHPIUMOL-UIUQJESISA-N 1 0 536.713 5.421 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CC[NH+]3CCCCC3)ccc2C1 ZINC000038151298 562066854 /nfs/dbraw/zinc/06/68/54/562066854.db2.gz SUQSWWKAHLCGRQ-VLZNPVHKSA-N 1 0 595.809 5.952 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152419 562067269 /nfs/dbraw/zinc/06/72/69/562067269.db2.gz HBMQRAUFUVCBQD-UFCSOYEJSA-N 1 0 575.775 5.388 1 0 KKAFRO COC(=O)c1ccc(CC2CC[NH+](CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038156569 562068454 /nfs/dbraw/zinc/06/84/54/562068454.db2.gz XJXVLMRPZYJMPV-UHFFFAOYSA-N 1 0 624.631 5.129 1 0 KKAFRO Fc1cc2nc(C(c3ccc(-c4cncnc4)cc3)=C3CC[NH+](CC4CC4)CC3)[nH]c2cc1C(F)(F)F ZINC000038157853 562069590 /nfs/dbraw/zinc/06/95/90/562069590.db2.gz XKXIPIIMLKOLPF-UHFFFAOYSA-N 1 0 507.535 6.486 1 0 KKAFRO CN1CC[NH+](CCCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377662 562071632 /nfs/dbraw/zinc/07/16/32/562071632.db2.gz MUHZTXDQFRVJAS-LJAQVGFWSA-N 1 0 706.456 5.938 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([NH2+]Cc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040403390 562074693 /nfs/dbraw/zinc/07/46/93/562074693.db2.gz BDOBNHGYFGVFDD-HSZRJFAPSA-N 1 0 507.581 6.647 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCC2)c1 ZINC000040395079 562074349 /nfs/dbraw/zinc/07/43/49/562074349.db2.gz GDLOFIAJCMVIPD-UHFFFAOYSA-N 1 0 525.440 5.380 1 0 KKAFRO C[NH+](C)C[C@H](Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC000040395255 562074362 /nfs/dbraw/zinc/07/43/62/562074362.db2.gz JPHDHYXYIFJMAG-SANMLTNESA-N 1 0 507.074 5.794 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 ZINC000040423204 562076134 /nfs/dbraw/zinc/07/61/34/562076134.db2.gz NZGBJCZOEMVMGI-UHFFFAOYSA-N 1 0 522.649 5.278 1 0 KKAFRO CSCN1C(=O)CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425008 562076418 /nfs/dbraw/zinc/07/64/18/562076418.db2.gz CZSCZZVPYIQJLF-VWLOTQADSA-N 1 0 501.490 5.069 1 0 KKAFRO CCc1cccc([C@](O)(CCCCOC)[C@@H]2CCCN(C(=O)N[C@H](C[NH2+]C)CC3CCCCC3)C2)c1 ZINC000040424343 562076472 /nfs/dbraw/zinc/07/64/72/562076472.db2.gz LEUXAAFAIWSYAA-OYKXOOMRSA-N 1 0 501.756 5.233 1 0 KKAFRO N[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040568414 562078182 /nfs/dbraw/zinc/07/81/82/562078182.db2.gz KYSQZRXWHAPYOE-QFIPXVFZSA-N 1 0 511.510 5.118 1 0 KKAFRO CCC[N@@H+]1CCc2cc(OC)c(OCc3ccccc3)cc2[C@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845991 562080260 /nfs/dbraw/zinc/08/02/60/562080260.db2.gz NYESNMHWIMDRIF-JGCGQSQUSA-N 1 0 507.674 7.405 1 0 KKAFRO CCC[N@@H+]1CCc2cc(OC)c(OCc3ccccc3)cc2[C@@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845989 562080314 /nfs/dbraw/zinc/08/03/14/562080314.db2.gz NYESNMHWIMDRIF-YTTGMZPUSA-N 1 0 507.674 7.405 1 0 KKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(C4CCN(S(C)(=O)=O)CC4)c3)CC2)n1 ZINC000040872887 562081718 /nfs/dbraw/zinc/08/17/18/562081718.db2.gz XPNIZGYNEMMEKJ-UHFFFAOYSA-N 1 0 521.727 5.016 1 0 KKAFRO O=C(NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 ZINC000040875449 562081991 /nfs/dbraw/zinc/08/19/91/562081991.db2.gz IQKRJMYITRFRAP-ONCRSHKTSA-N 1 0 505.489 7.131 1 0 KKAFRO COC(=O)[C@@](CCC[N@H+](C)CCCc1nc2cc(OC)ccc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082617 /nfs/dbraw/zinc/08/26/17/562082617.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 1 0 530.507 5.746 1 0 KKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040893343 562082907 /nfs/dbraw/zinc/08/29/07/562082907.db2.gz OYHKEVDVHJCFKU-UHFFFAOYSA-N 1 0 507.600 5.879 1 0 KKAFRO Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H]([NH2+]Cc2ccccn2)C3)c1 ZINC000040898663 562083307 /nfs/dbraw/zinc/08/33/07/562083307.db2.gz PAMZGVTZBVUZBF-AREMUKBSSA-N 1 0 501.552 6.585 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040914545 562083785 /nfs/dbraw/zinc/08/37/85/562083785.db2.gz JPOBQBQZOFXPBG-DEOSSOPVSA-N 1 0 506.593 7.252 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2N2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000040918301 562084254 /nfs/dbraw/zinc/08/42/54/562084254.db2.gz WXSAGLCBIDTEKI-UHFFFAOYSA-N 1 0 529.063 6.050 1 0 KKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000040951405 562085977 /nfs/dbraw/zinc/08/59/77/562085977.db2.gz OVEGYIGDYDWWMF-WEMUVCOSSA-N 1 0 529.640 6.855 1 0 KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCCC1 ZINC000040951042 562086056 /nfs/dbraw/zinc/08/60/56/562086056.db2.gz MQIGEJLZKVQZSL-ISKFKSNPSA-N 1 0 526.690 6.012 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951819 562086119 /nfs/dbraw/zinc/08/61/19/562086119.db2.gz KIMKESVEZODZRF-UPVQGACJSA-N 1 0 526.690 6.012 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040954147 562086401 /nfs/dbraw/zinc/08/64/01/562086401.db2.gz YYRQKVPZQIKPRY-PFATUAPWSA-N 1 0 512.538 6.812 1 0 KKAFRO CC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040956523 562086776 /nfs/dbraw/zinc/08/67/76/562086776.db2.gz GWYSPLBUEQXDCT-CPDIYIAASA-N 1 0 508.547 5.940 1 0 KKAFRO C=CC(=O)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974824 562087067 /nfs/dbraw/zinc/08/70/67/562087067.db2.gz ABVNRCMHGLYMGT-SSEXGKCCSA-N 1 0 519.636 5.971 1 0 KKAFRO O=C(Nc1ccccc1)N1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040976263 562087184 /nfs/dbraw/zinc/08/71/84/562087184.db2.gz WSPJCXDAFUSHQL-SSEXGKCCSA-N 1 0 532.526 6.927 1 0 KKAFRO CC(=O)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975804 562087199 /nfs/dbraw/zinc/08/71/99/562087199.db2.gz BOLNQVYXWUWJJK-SSEXGKCCSA-N 1 0 507.625 5.805 1 0 KKAFRO CCC(=O)O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976246 562087225 /nfs/dbraw/zinc/08/72/25/562087225.db2.gz RHRXILJKQSDOMT-SSEXGKCCSA-N 1 0 521.652 6.195 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000042803087 562087986 /nfs/dbraw/zinc/08/79/86/562087986.db2.gz BJAZGJCGTUFTCO-BHBYDHKZSA-N 1 0 592.662 5.299 1 0 KKAFRO C[NH2+]CC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595795 560063624 /nfs/dbraw/zinc/06/36/24/560063624.db2.gz LGNKATVLOFMUOX-JAHYEJHYSA-N 1 0 565.707 5.535 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595779 560063657 /nfs/dbraw/zinc/06/36/57/560063657.db2.gz ZVBKDLOCGUDHLK-HDJQEDSCSA-N 1 0 593.761 6.315 1 0 biogenic,in-vitro KKAFRO COc1cc(CCC(=O)CC(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@H]2C[C@H](O)CCc2cccc(O)c2)ccc1O ZINC000085626951 560068996 /nfs/dbraw/zinc/06/89/96/560068996.db2.gz QBCKUGZMBCPHMH-BNGSDRAPSA-N 1 0 595.696 5.088 1 0 biogenic,in-vitro KKAFRO C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3C3(CCCC3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568431 560070164 /nfs/dbraw/zinc/07/01/64/560070164.db2.gz ZKBUADZAWHEPMO-VVFBEHOQSA-N 1 0 559.659 5.520 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532291 560072824 /nfs/dbraw/zinc/07/28/24/560072824.db2.gz FATNPLVJZXRSKC-PWIYQFHYSA-N 1 0 599.812 7.071 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCC[N@@H+]2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(CO)=C2OC)[C@H]4C)c1 ZINC000085532440 560072839 /nfs/dbraw/zinc/07/28/39/560072839.db2.gz DNJWWMARGYGXRV-DHBJIFIXSA-N 1 0 591.789 5.974 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532413 560072869 /nfs/dbraw/zinc/07/28/69/560072869.db2.gz KQBPWRJCTAAHJI-WALNCYHXSA-N 1 0 587.801 7.049 1 0 biogenic,in-vitro KKAFRO Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(C[NH2+]C3CCCC3)n2C2CCCCC2)cc1 ZINC000043023097 562645000 /nfs/dbraw/zinc/64/50/00/562645000.db2.gz ICFIGBSLHNFWNQ-UHFFFAOYSA-N 1 0 502.917 8.715 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000043066487 562645367 /nfs/dbraw/zinc/64/53/67/562645367.db2.gz AVXNZTZDFIBZSK-SSEXGKCCSA-N 1 0 567.055 7.052 1 0 KKAFRO COc1cc2c(cc1OCCCC[NH+]1CCN(CCCCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000043103414 562645981 /nfs/dbraw/zinc/64/59/81/562645981.db2.gz VWEVKSRTTAUEOH-MHZLTWQESA-N 1 0 637.781 5.022 1 0 KKAFRO CC(=O)NCCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000043203312 562646962 /nfs/dbraw/zinc/64/69/62/562646962.db2.gz QDWSBBOTCRPBCJ-GDLZYMKVSA-N 1 0 605.606 7.699 1 0 KKAFRO O=C(/C=C/C[N@@H+]1CCCOCC1)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000043203721 562647024 /nfs/dbraw/zinc/64/70/24/562647024.db2.gz IXUDUNWMTNELOE-GORDUTHDSA-N 1 0 532.497 5.295 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544029 562649593 /nfs/dbraw/zinc/64/95/93/562649593.db2.gz DSQXPFNDAOHWMU-NNUTVPELSA-N 1 0 577.773 6.722 1 0 KKAFRO O=C1[C@@H]2CCCCCCN2[C@@H]2[C@]13C[N@H+]1CC[C@H]3C(c3nccc4c5cc(O)ccc5[nH]c43)=C[C@@]2(O)CC/C=C\CCCC1 ZINC000044280275 562652849 /nfs/dbraw/zinc/65/28/49/562652849.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 1 0 580.773 5.964 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2 ZINC000044281452 562653105 /nfs/dbraw/zinc/65/31/05/562653105.db2.gz KDWOPADIGXTVPB-BZLZRHATSA-N 1 0 562.751 5.253 1 0 KKAFRO C[C@@H]1C[N@@H+](CCCc2nc3cc(-c4ncccc4C(F)(F)F)ccc3c(Nc3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000044281578 562653148 /nfs/dbraw/zinc/65/31/48/562653148.db2.gz SZVWUSQUZGMZCK-KDURUIRLSA-N 1 0 589.584 7.515 1 0 KKAFRO O=C(Nc1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000044305100 562653341 /nfs/dbraw/zinc/65/33/41/562653341.db2.gz LWVOYZAMQFWJSC-SDNWHVSQSA-N 1 0 542.727 7.158 1 0 KKAFRO CN1CN(c2ccccc2)C2(CC[NH+](CCC[C@]3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccco4)C3)CC2)C1=O ZINC000044305456 562653457 /nfs/dbraw/zinc/65/34/57/562653457.db2.gz WMULPHWGLXROBK-HKBQPEDESA-N 1 0 595.571 5.921 1 0 KKAFRO COc1ccc(-c2c3ccccn3c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccc(OC)cc54)CC3)c2=O)cc1 ZINC000044305657 562653523 /nfs/dbraw/zinc/65/35/23/562653523.db2.gz SDSIFPHPPNWKLM-UHFFFAOYSA-N 1 0 552.675 5.287 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3N(C)C[C@@H]3CCC[N@H+]3CC(C)C)ncn2)s1 ZINC000044305714 562653532 /nfs/dbraw/zinc/65/35/32/562653532.db2.gz JYMCZJUIPAODTN-NRFANRHFSA-N 1 0 598.695 7.079 1 0 KKAFRO COc1ccc2c3c1O[C@H]1c4c(c5c6c(ccc5C(F)(F)F)CCCn64)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000044351379 562654640 /nfs/dbraw/zinc/65/46/40/562654640.db2.gz SDHVXCJESUGXLK-RYCXQYRLSA-N 1 0 536.594 5.314 1 0 KKAFRO C[NH+](C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)c1 ZINC000044351492 562654679 /nfs/dbraw/zinc/65/46/79/562654679.db2.gz FIAQPPISVBLQLY-UHFFFAOYSA-N 1 0 605.649 6.673 1 0 KKAFRO COCCN(CC(=O)N(C)[C@H](C[NH+]1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000044351864 562654908 /nfs/dbraw/zinc/65/49/08/562654908.db2.gz GWRZMVNMDPUMHU-GDLZYMKVSA-N 1 0 583.560 5.508 1 0 KKAFRO CCCC[NH+](CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044360413 562655608 /nfs/dbraw/zinc/65/56/08/562655608.db2.gz JGDYMCMQFALNLD-FIRIVFDPSA-N 1 0 576.653 7.235 1 0 KKAFRO [NH3+]Cc1cccc(C[C@@H]2O[C@@H](CC(=O)NCc3ccccc3F)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)c1 ZINC000044360892 562655687 /nfs/dbraw/zinc/65/56/87/562655687.db2.gz CHTPAWPHBCPSKZ-BCRBLDSWSA-N 1 0 613.733 6.874 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044387966 562656228 /nfs/dbraw/zinc/65/62/28/562656228.db2.gz ZAOPQQSGRPEDAY-PIKZIKFNSA-N 1 0 544.567 6.285 1 0 KKAFRO CCOC(=O)C1CC[NH+](CCOc2ccc(Br)cc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000044404300 562656437 /nfs/dbraw/zinc/65/64/37/562656437.db2.gz JYMMQVODGFWGHG-UHFFFAOYSA-N 1 0 539.470 5.437 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000044405361 562656667 /nfs/dbraw/zinc/65/66/67/562656667.db2.gz GMZOGMORLAJOAZ-INOCPDNRSA-N 1 0 530.709 5.894 1 0 KKAFRO C[C@@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@H]1C2=CC[C@H](C(F)(F)F)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000044405660 562656704 /nfs/dbraw/zinc/65/67/04/562656704.db2.gz KWSCVORLARPSMJ-XXHZYJAKSA-N 1 0 525.565 7.173 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000044406271 562656803 /nfs/dbraw/zinc/65/68/03/562656803.db2.gz CHACAHBBLAVNNH-GDLZYMKVSA-N 1 0 577.560 5.140 1 0 KKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC(C)C)c2)C1 ZINC000044417798 562657208 /nfs/dbraw/zinc/65/72/08/562657208.db2.gz LLJQAOJWAQJFPC-UHFFFAOYSA-N 1 0 543.647 5.969 1 0 KKAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]CCOc4cccc(C(F)(F)F)c4Cl)CC3)c2c1 ZINC000045167304 562658040 /nfs/dbraw/zinc/65/80/40/562658040.db2.gz BEKBTCXKHXJUCU-QHCPKHFHSA-N 1 0 523.983 5.082 1 0 KKAFRO CNC(=O)c1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccccc5Cl)CC4)CC3)c2c1 ZINC000045187050 562658286 /nfs/dbraw/zinc/65/82/86/562658286.db2.gz JUPRWEBZFXRVTP-UKTHLTGXSA-N 1 0 533.116 5.749 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000045187294 562658287 /nfs/dbraw/zinc/65/82/87/562658287.db2.gz GARHIPKMSATTOM-VZUCSPMQSA-N 1 0 522.904 6.297 1 0 KKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045188837 562658315 /nfs/dbraw/zinc/65/83/15/562658315.db2.gz FQVDYCWXCUHOPZ-UHFFFAOYSA-N 1 0 522.693 7.474 1 0 KKAFRO [NH3+]C1CCN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)c3)c(=O)c2Cl)CC1 ZINC000045188457 562658340 /nfs/dbraw/zinc/65/83/40/562658340.db2.gz FWLOOVQAVFDTRM-UHFFFAOYSA-N 1 0 529.044 5.184 1 0 KKAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000045190349 562658494 /nfs/dbraw/zinc/65/84/94/562658494.db2.gz MSDONWGTSZXWNI-UHFFFAOYSA-N 1 0 529.044 5.056 1 0 KKAFRO COc1cccc([C@@H]2CCC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000045191161 562658534 /nfs/dbraw/zinc/65/85/34/562658534.db2.gz MLJFSDZNUOCAJI-RUZDIDTESA-N 1 0 520.073 5.991 1 0 KKAFRO Nc1cc2c(cn1)[nH]cc2C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045192331 562658603 /nfs/dbraw/zinc/65/86/03/562658603.db2.gz PLGNVLILZHPUET-DUXPYHPUSA-N 1 0 512.485 5.583 1 0 KKAFRO O=S(=O)(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000045192217 562658660 /nfs/dbraw/zinc/65/86/60/562658660.db2.gz HJJMFUAWGRPSHK-UHFFFAOYSA-N 1 0 520.526 6.191 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc3c(ccn3[C@@H]3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192987 562658713 /nfs/dbraw/zinc/65/87/13/562658713.db2.gz REMGAUDCEZSMLC-JOCHJYFZSA-N 1 0 514.523 6.575 1 0 KKAFRO COc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000045193977 562658736 /nfs/dbraw/zinc/65/87/36/562658736.db2.gz YFCIETOSZVTIMA-UHFFFAOYSA-N 1 0 505.662 6.322 1 0 KKAFRO O=C(NC1CCC(CC[N@@H+]2CCc3ccc(-c4cnccn4)cc3CC2)CC1)c1cccc(-n2cccn2)c1 ZINC000045194424 562658792 /nfs/dbraw/zinc/65/87/92/562658792.db2.gz IDMNMVGWXAIOQD-UHFFFAOYSA-N 1 0 520.681 5.109 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045201057 562658971 /nfs/dbraw/zinc/65/89/71/562658971.db2.gz LNGQTQJNQIXADS-UHFFFAOYSA-N 1 0 508.622 7.659 1 0 KKAFRO C[C@H](Cc1ccc(OCCCCCCOc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000045201093 562659024 /nfs/dbraw/zinc/65/90/24/562659024.db2.gz DICZGMCOXSWBBF-HYBUGGRVSA-N 1 0 517.464 5.710 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)c1 ZINC000045201639 562659033 /nfs/dbraw/zinc/65/90/33/562659033.db2.gz ZWQFHZZYEGYMJB-UHFFFAOYSA-N 1 0 504.659 7.828 1 0 KKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4C)s3)CC2)CC1 ZINC000045202211 562659095 /nfs/dbraw/zinc/65/90/95/562659095.db2.gz NEGMCUZNIIOHFS-UHFFFAOYSA-N 1 0 530.660 6.396 1 0 KKAFRO Cc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(O)c1 ZINC000045201750 562659114 /nfs/dbraw/zinc/65/91/14/562659114.db2.gz NAYSZELGMBKXQL-UHFFFAOYSA-N 1 0 510.600 6.776 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)C1(O)c2ccccc2-c2ccccc21 ZINC000045202464 562659162 /nfs/dbraw/zinc/65/91/62/562659162.db2.gz XJCQPJAXLZEAOF-UHFFFAOYSA-N 1 0 519.689 5.939 1 0 KKAFRO FC(F)(F)c1ccc(NC(=S)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000045202502 562659181 /nfs/dbraw/zinc/65/91/81/562659181.db2.gz DHGGXQSYHCUQKV-UHFFFAOYSA-N 1 0 514.661 6.912 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045210010 562659281 /nfs/dbraw/zinc/65/92/81/562659281.db2.gz QQSRLTFRRAMEFT-XIFFEERXSA-N 1 0 529.725 6.001 1 0 KKAFRO COc1ccc(C2CCC([NH2+]CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000045226473 562659356 /nfs/dbraw/zinc/65/93/56/562659356.db2.gz VHQLIAAVFVTIII-UHFFFAOYSA-N 1 0 534.100 6.427 1 0 KKAFRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045227508 562659447 /nfs/dbraw/zinc/65/94/47/562659447.db2.gz NVRNQHZXZBJFCW-UHFFFAOYSA-N 1 0 516.955 5.561 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)NC2CCCCCC2)CC1 ZINC000045229088 562659510 /nfs/dbraw/zinc/65/95/10/562659510.db2.gz WHABAXSLOPAQDF-ACCUITESSA-N 1 0 523.549 5.780 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccccc5Cl)CC4)CC3)c2n1 ZINC000045229576 562659557 /nfs/dbraw/zinc/65/95/57/562659557.db2.gz XQIRZBBDMJYSQX-MDWZMJQESA-N 1 0 534.104 5.743 1 0 KKAFRO Cc1ccccc1NC(=S)NC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045230289 562659618 /nfs/dbraw/zinc/65/96/18/562659618.db2.gz ZHOZGZZMFJFHOG-ZRDIBKRKSA-N 1 0 533.569 6.053 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4ccccc4F)CC2)CC3)on1 ZINC000045231324 562659689 /nfs/dbraw/zinc/65/96/89/562659689.db2.gz NMXJVMVLGRCFHO-JLHYYAGUSA-N 1 0 501.646 5.968 1 0 KKAFRO Cc1ccc2c(c1)nc(N1CCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045245350 562659752 /nfs/dbraw/zinc/65/97/52/562659752.db2.gz PZPRCQDQUVGRPJ-UHFFFAOYSA-N 1 0 520.681 5.611 1 0 KKAFRO C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13 ZINC000045259630 562660013 /nfs/dbraw/zinc/66/00/13/562660013.db2.gz PNKGWKXKIPIROR-BGWNEDDSSA-N 1 0 501.412 5.623 1 0 in-vivo KKAFRO Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](CC2CC2)CC4)cc1 ZINC000045261788 562660068 /nfs/dbraw/zinc/66/00/68/562660068.db2.gz JVNZGKUQEQMIMB-WYMJOSIYSA-N 1 0 512.479 6.372 1 0 KKAFRO CCOc1ccccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045301597 562660507 /nfs/dbraw/zinc/66/05/07/562660507.db2.gz XYXKHJUKLANZOE-UHFFFAOYSA-N 1 0 534.100 6.381 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000045301613 562660545 /nfs/dbraw/zinc/66/05/45/562660545.db2.gz KPGLZRUNYKXZSA-CSKARUKUSA-N 1 0 522.904 6.297 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000045321838 562661076 /nfs/dbraw/zinc/66/10/76/562661076.db2.gz IDUCETXXHILHNZ-OVCLIPMQSA-N 1 0 502.577 5.914 1 0 KKAFRO CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(CC3CC[NH+](CC4CCCC4)CC3)c2c1 ZINC000045321097 562661077 /nfs/dbraw/zinc/66/10/77/562661077.db2.gz WOVZKMYWGJPXQK-UHFFFAOYSA-N 1 0 506.694 6.632 1 0 KKAFRO O=C(C1CCCCC1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045322075 562661080 /nfs/dbraw/zinc/66/10/80/562661080.db2.gz HMIOKDUCMSQBKY-PMERELPUSA-N 1 0 529.552 6.898 1 0 KKAFRO CCOc1cc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045325083 562661291 /nfs/dbraw/zinc/66/12/91/562661291.db2.gz LSTROLORYQDWGW-UHFFFAOYSA-N 1 0 503.474 6.317 1 0 KKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCC(c2c4ccccc4[nH]c2-c2ccccc2)CC1)CCC3 ZINC000045335150 562661302 /nfs/dbraw/zinc/66/13/02/562661302.db2.gz GTBCNOYKBNPQPV-UUWRZZSWSA-N 1 0 503.690 7.411 1 0 KKAFRO C[C@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338443 562661466 /nfs/dbraw/zinc/66/14/66/562661466.db2.gz FZYZAZVPXUZVPL-QINZWAKZSA-N 1 0 530.112 5.657 1 0 KKAFRO Cc1cc2nc(N3CCCC[C@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045358765 562662017 /nfs/dbraw/zinc/66/20/17/562662017.db2.gz MKCOGJXGVYBNSX-QFIPXVFZSA-N 1 0 505.703 6.188 1 0 KKAFRO Cc1cc2nc(N3CCCC[C@@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045358763 562662025 /nfs/dbraw/zinc/66/20/25/562662025.db2.gz MKCOGJXGVYBNSX-JOCHJYFZSA-N 1 0 505.703 6.188 1 0 KKAFRO O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000045366087 562662069 /nfs/dbraw/zinc/66/20/69/562662069.db2.gz JDFLEUYRGZPZQD-YTTGMZPUSA-N 1 0 528.618 7.161 1 0 KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCC1 ZINC000045495845 562662681 /nfs/dbraw/zinc/66/26/81/562662681.db2.gz XCWSAVXACRBMPF-GMAHTHKFSA-N 1 0 512.663 5.622 1 0 KKAFRO CC(C)(CNC(=O)C1CC[NH+](CC2CCCCC2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000048307310 562662932 /nfs/dbraw/zinc/66/29/32/562662932.db2.gz IGIQWYQARIIWKF-UHFFFAOYSA-N 1 0 550.147 6.184 1 0 KKAFRO O=C(Nc1cccc(Cl)c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000048307356 562663023 /nfs/dbraw/zinc/66/30/23/562663023.db2.gz PEALYASVUDIBMR-UHFFFAOYSA-N 1 0 571.150 7.074 1 0 KKAFRO CNC(=O)c1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000048308919 562663149 /nfs/dbraw/zinc/66/31/49/562663149.db2.gz ABMIYSAECGDRFE-VZUCSPMQSA-N 1 0 567.561 6.402 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2cc3nccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000048308964 562663193 /nfs/dbraw/zinc/66/31/93/562663193.db2.gz NRKWXKXUIZVUIG-UHFFFAOYSA-N 1 0 558.103 7.225 1 0 KKAFRO CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3ccccc3C)CC1)CC2 ZINC000048999490 562663211 /nfs/dbraw/zinc/66/32/11/562663211.db2.gz CPRSUYJBVWDQCV-MUUNZHRXSA-N 1 0 509.735 6.026 1 0 KKAFRO CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C[NH+]4CCCC4)nc4c(C(F)(F)F)cccn43)c2)c1 ZINC000049021403 562663324 /nfs/dbraw/zinc/66/33/24/562663324.db2.gz HZBNGPXKCIHTTC-UHFFFAOYSA-N 1 0 515.557 5.812 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1ccccc1 ZINC000049033325 562663394 /nfs/dbraw/zinc/66/33/94/562663394.db2.gz XFEJPTLRXOZZDA-LJAQVGFWSA-N 1 0 535.729 5.107 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)CCC5CCCC5)cc3)c4N)c2)CC1 ZINC000049036906 562663614 /nfs/dbraw/zinc/66/36/14/562663614.db2.gz BHIWBHXJQRREGM-UHFFFAOYSA-N 1 0 523.685 5.306 1 0 KKAFRO CCCCc1nc(Cl)c([C@@H]2CC(c3ccc(N)cc3)=[NH+]N2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049067175 562663950 /nfs/dbraw/zinc/66/39/50/562663950.db2.gz CQNPJVINSHOTME-NRFANRHFSA-N 1 0 511.482 7.121 1 0 KKAFRO CCn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088414 562664346 /nfs/dbraw/zinc/66/43/46/562664346.db2.gz FYYAPMGYQONMQC-MUUNZHRXSA-N 1 0 503.433 5.979 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4cccc5ccc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049089110 562664368 /nfs/dbraw/zinc/66/43/68/562664368.db2.gz FOYUBTQMQRUAHU-UHFFFAOYSA-N 1 0 521.587 5.601 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCCCC1 ZINC000049113257 562664651 /nfs/dbraw/zinc/66/46/51/562664651.db2.gz OXVDUVSHCWCOFU-ATANMQQVSA-N 1 0 522.690 5.439 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+]5CCCC5)cc4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000049125847 562664761 /nfs/dbraw/zinc/66/47/61/562664761.db2.gz YXVZSMQKDLURNT-UHFFFAOYSA-N 1 0 533.680 6.470 1 0 KKAFRO C[C@@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000049604932 562665057 /nfs/dbraw/zinc/66/50/57/562665057.db2.gz NFJXSNIIKZKBGJ-OYRHEFFESA-N 1 0 543.071 5.443 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049604953 562665143 /nfs/dbraw/zinc/66/51/43/562665143.db2.gz JVHPWGJGIVILLL-WEVVVXLNSA-N 1 0 540.894 6.436 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000049605012 562665236 /nfs/dbraw/zinc/66/52/36/562665236.db2.gz KGADURBHOXIBPI-UHFFFAOYSA-N 1 0 555.506 5.587 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@H](CC[NH+]3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)C[C@H]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049605112 562665344 /nfs/dbraw/zinc/66/53/44/562665344.db2.gz NIKPWVVWKGURQG-NAKRPHOHSA-N 1 0 730.755 6.686 1 0 KKAFRO CS(=O)(=O)CCC[NH2+]Cc1ccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)o1 ZINC000049605117 562665377 /nfs/dbraw/zinc/66/53/77/562665377.db2.gz NVWYKCCRMGMTKD-UHFFFAOYSA-N 1 0 543.649 5.132 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049605126 562665402 /nfs/dbraw/zinc/66/54/02/562665402.db2.gz NGKRPBCWQMZBED-SOFGYWHQSA-N 1 0 539.454 5.811 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCC[C@@H]1CCC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049605123 562665414 /nfs/dbraw/zinc/66/54/14/562665414.db2.gz MTIBFGQHSSIDCG-BAKYTSDKSA-N 1 0 556.578 6.615 1 0 KKAFRO CCCCCCNC(=O)[C@@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049605253 562665607 /nfs/dbraw/zinc/66/56/07/562665607.db2.gz LRCHHSMBNSAOAB-MHZLTWQESA-N 1 0 551.573 5.675 1 0 KKAFRO C[C@@H](NC(=O)N[C@H](CC[NH+]1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049605331 562665692 /nfs/dbraw/zinc/66/56/92/562665692.db2.gz NDYVWXJQHKOLHR-SKCUWOTOSA-N 1 0 615.627 6.298 1 0 KKAFRO CSc1nccc(-c2ccc(S(=O)(=O)NC3CCC(C[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)s2)n1 ZINC000049605463 562665928 /nfs/dbraw/zinc/66/59/28/562665928.db2.gz NXCTZZWPJWFTOX-UHFFFAOYSA-N 1 0 581.833 6.125 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605492 562665971 /nfs/dbraw/zinc/66/59/71/562665971.db2.gz RLPUHILFDIWVSJ-JLHYYAGUSA-N 1 0 537.026 5.898 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)cc(F)cc1F ZINC000049605496 562665984 /nfs/dbraw/zinc/66/59/84/562665984.db2.gz DUJPTRZZJZKCEZ-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO Cc1[nH]c2ccc(O)cc2c1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049605581 562666013 /nfs/dbraw/zinc/66/60/13/562666013.db2.gz QUMRYPGPHYOQSY-VZUCSPMQSA-N 1 0 540.535 7.057 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605543 562666021 /nfs/dbraw/zinc/66/60/21/562666021.db2.gz IGQADVDYHVHMJQ-SFTDATJTSA-N 1 0 619.943 7.342 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000049605560 562666046 /nfs/dbraw/zinc/66/60/46/562666046.db2.gz CBCUZXKSKSEVPO-CSKARUKUSA-N 1 0 553.987 6.398 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCC[C@H]3CCC[N@@H+]3C)nc21 ZINC000049605603 562666068 /nfs/dbraw/zinc/66/60/68/562666068.db2.gz GIMUQLCVOVKVCW-LJQANCHMSA-N 1 0 556.568 5.728 1 0 KKAFRO [NH3+][C@@H](COc1cccc2c(-c3ccncc3)c(-c3cccc(NC(=O)Nc4ccccc4)c3)nn21)c1ccccc1 ZINC000049605643 562666149 /nfs/dbraw/zinc/66/61/49/562666149.db2.gz VCZQYQIDCQEPNR-NDEPHWFRSA-N 1 0 540.627 6.786 1 0 KKAFRO CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCC[NH+]5CCCCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000049605674 562666180 /nfs/dbraw/zinc/66/61/80/562666180.db2.gz JFZMKQSBQKCCRJ-UHFFFAOYSA-N 1 0 582.665 5.383 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605683 562666184 /nfs/dbraw/zinc/66/61/84/562666184.db2.gz HIHJNXITECFVOS-XZOQPEGZSA-N 1 0 553.481 5.948 1 0 KKAFRO Cn1nc(-c2ccc(S(=O)(=O)N3CCC(C[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)s2)cc1C(F)(F)F ZINC000049605693 562666210 /nfs/dbraw/zinc/66/62/10/562666210.db2.gz ZUDBIZFABXKYPG-UHFFFAOYSA-N 1 0 591.725 5.929 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1/C=C/c1ccc(F)cc1 ZINC000049605751 562666289 /nfs/dbraw/zinc/66/62/89/562666289.db2.gz DVCONNKIJOFGMF-VXLYETTFSA-N 1 0 700.781 6.934 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049614594 562666572 /nfs/dbraw/zinc/66/65/72/562666572.db2.gz QLIXSLLHXFBBJS-MPQUPPDSSA-N 1 0 659.774 6.520 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCCC3)c2)CC1 ZINC000049615369 562666623 /nfs/dbraw/zinc/66/66/23/562666623.db2.gz SPWXVBHPNBMVMF-UHFFFAOYSA-N 1 0 658.707 5.982 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049615271 562666642 /nfs/dbraw/zinc/66/66/42/562666642.db2.gz DUCYMHLZJLVIHD-PQQNNWGCSA-N 1 0 689.800 6.528 1 0 KKAFRO CC[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1)c1ccc(I)cc1 ZINC000049615692 562666663 /nfs/dbraw/zinc/66/66/63/562666663.db2.gz IBLWFNXGWOHVQN-AREMUKBSSA-N 1 0 632.489 6.949 1 0 KKAFRO O=C(Nc1cccc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049625525 562666762 /nfs/dbraw/zinc/66/67/62/562666762.db2.gz WNUBINGTGVGWNK-XZOQPEGZSA-N 1 0 535.491 5.809 1 0 KKAFRO C[NH+](C)C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049625589 562666834 /nfs/dbraw/zinc/66/68/34/562666834.db2.gz CPNOVLLHGKLCTO-UHFFFAOYSA-N 1 0 676.730 7.515 1 0 KKAFRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000049625669 562666847 /nfs/dbraw/zinc/66/68/47/562666847.db2.gz VLCKOBXVABWMGU-IBGZPJMESA-N 1 0 548.474 5.992 1 0 KKAFRO Cc1[nH]c2ccc(NS(C)(=O)=O)cc2c1C1CC[NH+](CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049625885 562666873 /nfs/dbraw/zinc/66/68/73/562666873.db2.gz SCKGQHQROMKHKT-XBXARRHUSA-N 1 0 617.643 6.676 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCO)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049626156 562667069 /nfs/dbraw/zinc/66/70/69/562667069.db2.gz SSTYIKNYEYBNGP-UHFFFAOYSA-N 1 0 594.718 7.012 1 0 KKAFRO O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](CCO)CC1 ZINC000049626260 562667085 /nfs/dbraw/zinc/66/70/85/562667085.db2.gz ZCPHVDVXOCTVKZ-UHFFFAOYSA-N 1 0 721.792 7.743 1 0 KKAFRO COC(=O)Cn1c2ccccc2nc1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049626381 562667176 /nfs/dbraw/zinc/66/71/76/562667176.db2.gz YSBMLXBYGIDWLG-VQHVLOKHSA-N 1 0 569.533 5.648 1 0 KKAFRO COc1ccc(CC(=O)N[C@@H](CCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 ZINC000049626666 562667258 /nfs/dbraw/zinc/66/72/58/562667258.db2.gz TVLBTPNOJYAAHU-LJAQVGFWSA-N 1 0 553.530 6.704 1 0 KKAFRO Cc1ccc(Cn2nc(Cl)c(N3CCC[NH2+]CC3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049626754 562667350 /nfs/dbraw/zinc/66/73/50/562667350.db2.gz RQHPCWFVCDHZLK-UHFFFAOYSA-N 1 0 543.071 5.364 1 0 KKAFRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639164 562667652 /nfs/dbraw/zinc/66/76/52/562667652.db2.gz RRZNSSADTPDARM-GOTSBHOMSA-N 1 0 535.491 5.809 1 0 KKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639185 562667657 /nfs/dbraw/zinc/66/76/57/562667657.db2.gz QXDNBKMFEZVSCX-JXMROGBWSA-N 1 0 585.403 6.765 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 ZINC000049650275 562668038 /nfs/dbraw/zinc/66/80/38/562668038.db2.gz RCRODOVSLLRLGH-WOFUPGFCSA-N 1 0 730.866 5.173 1 0 KKAFRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc54)cc3)CC2)cc1 ZINC000049677744 562668299 /nfs/dbraw/zinc/66/82/99/562668299.db2.gz XUHLUGUZGFIDEE-UHFFFAOYSA-N 1 0 538.696 5.476 1 0 KKAFRO COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677808 562668394 /nfs/dbraw/zinc/66/83/94/562668394.db2.gz CZWJHNWGEGYHNZ-PDDLMNHVSA-N 1 0 664.807 5.474 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](n4cnc(CC[NH3+])c4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678324 562668517 /nfs/dbraw/zinc/66/85/17/562668517.db2.gz YXLRIBHYEQBYDG-BULFVYHESA-N 1 0 513.811 6.132 1 0 KKAFRO COc1ccc([C@H](CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679042 562668747 /nfs/dbraw/zinc/66/87/47/562668747.db2.gz VXIRZADKDLXOPU-CUBQBAPOSA-N 1 0 628.770 5.839 1 0 KKAFRO Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCCCC1 ZINC000049679365 562668815 /nfs/dbraw/zinc/66/88/15/562668815.db2.gz KZTBTZPPFWBWTI-UHFFFAOYSA-N 1 0 532.870 6.012 1 0 KKAFRO COc1ccc([C@@H](CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679948 562669054 /nfs/dbraw/zinc/66/90/54/562669054.db2.gz NGGJCHLWJLXTQR-VAVYLYDRSA-N 1 0 642.797 6.229 1 0 KKAFRO COc1ccccc1-c1c(=O)n(CCCC[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)c(=O)n2c1CCCC2 ZINC000049680171 562669101 /nfs/dbraw/zinc/66/91/01/562669101.db2.gz DBNZQUWIIIDATB-UHFFFAOYSA-N 1 0 540.708 5.471 1 0 KKAFRO CCOc1ccc(C(OC[C@@H](O)CNCC[NH2+]C[C@H](O)COC(c2ccc(OCC)cc2)c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 ZINC000049694926 562669974 /nfs/dbraw/zinc/66/99/74/562669974.db2.gz XRSSEEYWANEWJZ-ZPGRZCPFSA-N 1 0 716.916 6.095 1 0 KKAFRO CN(CC[N@H+](C)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000049695047 562670126 /nfs/dbraw/zinc/67/01/26/562670126.db2.gz NEKOXQMHQMJFTR-UHFFFAOYSA-N 1 0 609.429 6.658 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccc(F)cc5)c5n(c4=O)CCCC5)CC3)c2c1 ZINC000049695148 562670224 /nfs/dbraw/zinc/67/02/24/562670224.db2.gz MOEXGPHSNKMXAG-UHFFFAOYSA-N 1 0 544.671 5.302 1 0 KKAFRO O=C(NCCc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049708599 562671000 /nfs/dbraw/zinc/67/10/00/562671000.db2.gz RGIULWBHYMMYLJ-UHFFFAOYSA-N 1 0 552.550 5.148 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000049708820 562671085 /nfs/dbraw/zinc/67/10/85/562671085.db2.gz VSPHDEQLMZMMEJ-UHFFFAOYSA-N 1 0 579.668 5.420 1 0 KKAFRO O=C(OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049710112 562671585 /nfs/dbraw/zinc/67/15/85/562671585.db2.gz WYNIZCUIDXTOCU-QHCPKHFHSA-N 1 0 560.141 5.302 1 0 KKAFRO CCCCCC(=O)N1CCO[C@](CC[N@@H+]2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710512 562671682 /nfs/dbraw/zinc/67/16/82/562671682.db2.gz VCZBPJOANUSAGW-PMERELPUSA-N 1 0 542.551 6.568 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710515 562671756 /nfs/dbraw/zinc/67/17/56/562671756.db2.gz XBZRVHUHDCWGBJ-DHIUTWEWSA-N 1 0 585.498 6.688 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710895 562671881 /nfs/dbraw/zinc/67/18/81/562671881.db2.gz JBTYSKIUPAUNTK-MHZLTWQESA-N 1 0 645.471 8.515 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@@](CC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710879 562671892 /nfs/dbraw/zinc/67/18/92/562671892.db2.gz RYUJSNLXMAGIJD-JGCGQSQUSA-N 1 0 632.554 8.142 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000049722514 562672132 /nfs/dbraw/zinc/67/21/32/562672132.db2.gz PVKUHSPWHYTXPL-VLMCNOTKSA-N 1 0 629.654 6.945 1 0 KKAFRO COc1cccc(NC(=O)N2CCO[C@@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049722689 562672378 /nfs/dbraw/zinc/67/23/78/562672378.db2.gz WCWPHSVLSQMSCE-MGBGTMOVSA-N 1 0 594.583 7.132 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000049722741 562672435 /nfs/dbraw/zinc/67/24/35/562672435.db2.gz TVOYCNZPGKHXCR-NRFANRHFSA-N 1 0 537.648 5.528 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049722732 562672453 /nfs/dbraw/zinc/67/24/53/562672453.db2.gz YFJABXWNYRHAQJ-JLQMKUNGSA-N 1 0 621.074 8.083 1 0 KKAFRO CC[NH+](CC)C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722737 562672481 /nfs/dbraw/zinc/67/24/81/562672481.db2.gz KSGDAKBYAZCXMD-UHFFFAOYSA-N 1 0 704.784 8.295 1 0 KKAFRO COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CC[NH+]([C@H](C)c4ccccc4)CC3)C2=O)cc1OC ZINC000049722754 562672507 /nfs/dbraw/zinc/67/25/07/562672507.db2.gz WYGHIDQLPZLSFF-NLGDKJDOSA-N 1 0 637.781 5.791 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049722859 562672597 /nfs/dbraw/zinc/67/25/97/562672597.db2.gz MWKSTRQXWPVVMJ-ZRDIBKRKSA-N 1 0 585.498 6.942 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049722856 562672626 /nfs/dbraw/zinc/67/26/26/562672626.db2.gz XVZNRUGROMDFEO-LEWJYISDSA-N 1 0 603.488 6.827 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCS1(=O)=O ZINC000049723185 562673037 /nfs/dbraw/zinc/67/30/37/562673037.db2.gz QQKOTWMTJZYNCP-MFMCTBQISA-N 1 0 656.771 5.516 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)cc1 ZINC000049723191 562673068 /nfs/dbraw/zinc/67/30/68/562673068.db2.gz WFXSFYWVPMADQL-UHFFFAOYSA-N 1 0 658.740 7.377 1 0 KKAFRO CN(C)c1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CCC[NH+]1CCCC1 ZINC000049723228 562673125 /nfs/dbraw/zinc/67/31/25/562673125.db2.gz SMGWESSRXHFSDA-UHFFFAOYSA-N 1 0 533.101 5.669 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049723327 562673258 /nfs/dbraw/zinc/67/32/58/562673258.db2.gz JYXSCEONQOQFOF-DDCFWYMVSA-N 1 0 613.552 7.626 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000049744751 562673493 /nfs/dbraw/zinc/67/34/93/562673493.db2.gz CQMBANNXWQESSI-PKNBQFBNSA-N 1 0 553.987 6.351 1 0 KKAFRO COC(=O)Cn1c2ccccc2nc1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049744859 562673504 /nfs/dbraw/zinc/67/35/04/562673504.db2.gz ALDGSMGKLDFQSL-UKTHLTGXSA-N 1 0 583.560 6.084 1 0 KKAFRO CCOc1ccc(OCC)c(N2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000049745004 562673609 /nfs/dbraw/zinc/67/36/09/562673609.db2.gz RCXGCEXGHSWMAS-UHFFFAOYSA-N 1 0 579.141 5.722 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049745106 562673657 /nfs/dbraw/zinc/67/36/57/562673657.db2.gz DMZWJLNEYMJQPY-PMERELPUSA-N 1 0 606.516 8.042 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CC2)ccc2c1CCCC2 ZINC000049745292 562673821 /nfs/dbraw/zinc/67/38/21/562673821.db2.gz FTUFWOXJJZODGK-UHFFFAOYSA-N 1 0 564.692 7.649 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(-n5ccnc5)c(N5CC[NH+](C)CC5)c4)cc3)c(C)c2)no1 ZINC000049745616 562673938 /nfs/dbraw/zinc/67/39/38/562673938.db2.gz ACAVTWGKUUNFPF-UHFFFAOYSA-N 1 0 533.636 5.210 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745588 562673946 /nfs/dbraw/zinc/67/39/46/562673946.db2.gz OOGJFMGCOJHKAP-UHFFFAOYSA-N 1 0 592.810 5.258 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2SCc2cccc(F)c2F)CCC3)CC1 ZINC000049745908 562674173 /nfs/dbraw/zinc/67/41/73/562674173.db2.gz MFKRKHZHTCNJSY-UHFFFAOYSA-N 1 0 709.825 8.495 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1 ZINC000049746029 562674211 /nfs/dbraw/zinc/67/42/11/562674211.db2.gz GCTKLNPCQFYBOB-YTTGMZPUSA-N 1 0 599.986 7.028 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049746626 562674508 /nfs/dbraw/zinc/67/45/08/562674508.db2.gz KVPNRPRWDRVCLS-SFTDATJTSA-N 1 0 586.391 6.976 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCN(C(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049746735 562674575 /nfs/dbraw/zinc/67/45/75/562674575.db2.gz BBTMWKNMYVKTLK-UHFFFAOYSA-N 1 0 570.521 6.670 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5cc(C(F)(F)F)ccc5s4)cc3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049756669 562675184 /nfs/dbraw/zinc/67/51/84/562675184.db2.gz AXMDZPQSJQHLHJ-UHFFFAOYSA-N 1 0 608.690 6.694 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(F)c1 ZINC000049756920 562675316 /nfs/dbraw/zinc/67/53/16/562675316.db2.gz ZUXFIRWLAQBCCS-UHFFFAOYSA-N 1 0 558.683 5.814 1 0 KKAFRO Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049757308 562675832 /nfs/dbraw/zinc/67/58/32/562675832.db2.gz KPURTNMKRQFRJT-PLQXJYEYSA-N 1 0 618.691 5.717 1 0 KKAFRO NC(=[NH2+])Cc1c(C(=O)N2CCC(c3ccccc3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049757464 562676021 /nfs/dbraw/zinc/67/60/21/562676021.db2.gz LSNYNVYJCLPOHQ-UHFFFAOYSA-N 1 0 550.465 6.483 1 0 KKAFRO C[NH+](C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(NCc4c(Cl)cccc4Cl)cc3)c(C(N)=O)c1N2 ZINC000049757450 562676041 /nfs/dbraw/zinc/67/60/41/562676041.db2.gz CQUYYMCZSYDWSJ-UHFFFAOYSA-N 1 0 565.505 5.808 1 0 KKAFRO COc1cccc2c1OC[C@H](Cc1ccc(OCC[NH+]3CCCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049761761 562676117 /nfs/dbraw/zinc/67/61/17/562676117.db2.gz KNJRTTIXAZSVBZ-MHZLTWQESA-N 1 0 550.721 5.063 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1(c3cccc(C(C)(C)C)c3)CCCC1)Cc1cccc(c1)OCCCCN2 ZINC000049761863 562676206 /nfs/dbraw/zinc/67/62/06/562676206.db2.gz PTOMBISXQDZHEZ-OIDHKYIRSA-N 1 0 613.843 6.476 1 0 KKAFRO O=C(NCC[NH+](CCNc1ccnc2cc(Cl)ccc21)CCNc1ccnc2cc(Cl)ccc21)C1CCC1 ZINC000049766471 562677026 /nfs/dbraw/zinc/67/70/26/562677026.db2.gz ZNDHWGFQNMCXNB-UHFFFAOYSA-N 1 0 551.522 5.832 1 0 KKAFRO Cc1cc2nc(N3CCC[C@H]3C[NH+]3CCCC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049767016 562677309 /nfs/dbraw/zinc/67/73/09/562677309.db2.gz DOJSOAHHEAYUAM-VWLOTQADSA-N 1 0 544.784 6.901 1 0 KKAFRO CCCC(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000049771217 562678041 /nfs/dbraw/zinc/67/80/41/562678041.db2.gz YYHKUVHOQVCOGJ-JUFIIOIISA-N 1 0 549.200 5.204 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5ccsc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775421 562679066 /nfs/dbraw/zinc/67/90/66/562679066.db2.gz XENKZSPTQPRZEQ-HKBQPEDESA-N 1 0 628.908 6.639 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049776373 562679432 /nfs/dbraw/zinc/67/94/32/562679432.db2.gz PSOLLAWKFQBNIY-SHXLRKJTSA-N 1 0 655.909 5.707 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777796 562680521 /nfs/dbraw/zinc/68/05/21/562680521.db2.gz BMGSGSGMLBHZCA-FAKWYAOSSA-N 1 0 556.531 5.123 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(Cl)c2)CC1 ZINC000049778386 562681287 /nfs/dbraw/zinc/68/12/87/562681287.db2.gz AEKZALMFASFTNO-WJOKGBTCSA-N 1 0 649.250 5.364 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)/C=C/c2ccccc2)CC1 ZINC000049780417 562681696 /nfs/dbraw/zinc/68/16/96/562681696.db2.gz XWLZXMSZXWJONT-IFQMDVHZSA-N 1 0 542.551 6.225 1 0 KKAFRO C[C@@](C[NH3+])(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049781098 562682638 /nfs/dbraw/zinc/68/26/38/562682638.db2.gz KBBHXCQPIMWCBS-PMERELPUSA-N 1 0 595.945 7.635 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781266 562682860 /nfs/dbraw/zinc/68/28/60/562682860.db2.gz YYIOQINMOGBBMF-HHHXNRCGSA-N 1 0 632.072 7.854 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4cc(Br)cc5cccnc54)CC3)CC2)c1 ZINC000049781467 562683083 /nfs/dbraw/zinc/68/30/83/562683083.db2.gz POCSVEHDZIFYRI-UHFFFAOYSA-N 1 0 532.486 5.345 1 0 KKAFRO [NH3+]CCc1cn(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccc(OCCc3ccc(O)cc3)cc12 ZINC000049784080 562683412 /nfs/dbraw/zinc/68/34/12/562683412.db2.gz KVZGXHXBYQNWHP-UHFFFAOYSA-N 1 0 530.590 7.204 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4ccc(F)c5ccc(C(F)(F)F)nc54)CC3)CC2)c1 ZINC000049793366 562684755 /nfs/dbraw/zinc/68/47/55/562684755.db2.gz NTADQIOJOYLPAR-UHFFFAOYSA-N 1 0 539.577 5.741 1 0 KKAFRO CC[NH+](C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000049793671 562685056 /nfs/dbraw/zinc/68/50/56/562685056.db2.gz WIPOZGZUHPTZTR-ACHIHNKUSA-N 1 0 581.717 5.174 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccncc1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793698 562685105 /nfs/dbraw/zinc/68/51/05/562685105.db2.gz LZXPGRRYRBSCOY-KYJUHHDHSA-N 1 0 656.834 5.872 1 0 KKAFRO O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000049803779 562686255 /nfs/dbraw/zinc/68/62/55/562686255.db2.gz UBZXFTVYCQWOSJ-DEOSSOPVSA-N 1 0 550.534 6.188 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccc(F)cc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000049833308 562687696 /nfs/dbraw/zinc/68/76/96/562687696.db2.gz OMYMZQIZNWNMOZ-WJOKGBTCSA-N 1 0 645.780 5.047 1 0 KKAFRO CC(C)c1ccc(CN(Cc2ccc(C(C)C)cc2)c2ccc(NC(=O)c3ccc(NCCNC(N)=[NH2+])c(-c4ccc5ccccc5c4)c3)cc2)cc1 ZINC000049841065 562687971 /nfs/dbraw/zinc/68/79/71/562687971.db2.gz XQQCEWVTZYTVGA-UHFFFAOYSA-N 1 0 702.947 10.108 1 0 KKAFRO O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000049844711 562688552 /nfs/dbraw/zinc/68/85/52/562688552.db2.gz OXJGPZFAZUEPIX-UHFFFAOYSA-N 1 0 682.853 7.428 1 0 in-vitro KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCCCC1 ZINC000049878529 562690686 /nfs/dbraw/zinc/69/06/86/562690686.db2.gz CFNBMDAXVAJPSE-NOZRDPDXSA-N 1 0 540.717 6.402 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Br)c2)C1 ZINC000049881858 562691192 /nfs/dbraw/zinc/69/11/92/562691192.db2.gz IMIQDRNXOVJGET-MAARLIENSA-N 1 0 552.598 5.433 1 0 KKAFRO COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)N(C)CC5)cc1)[N@H+](C)CC2 ZINC000049881872 562691196 /nfs/dbraw/zinc/69/11/96/562691196.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 1 0 696.841 7.063 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)nc3NCCC[NH+](C)C)ncn2)s1 ZINC000049881883 562691245 /nfs/dbraw/zinc/69/12/45/562691245.db2.gz KMLVQXJCJNEFER-UHFFFAOYSA-N 1 0 531.564 5.281 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@H]3CCC[NH2+]3)ncn2)s1 ZINC000049881884 562691267 /nfs/dbraw/zinc/69/12/67/562691267.db2.gz LCDJHHUERIUMFY-MRXNPFEDSA-N 1 0 542.543 5.213 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)Cc1cc2ccc(Cl)cc2s1 ZINC000049882002 562691306 /nfs/dbraw/zinc/69/13/06/562691306.db2.gz IZQYFZRXSFVMFI-HKBQPEDESA-N 1 0 640.290 6.904 1 0 KKAFRO O=C(Nc1ccc2[nH]cc(C3CCN(CC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000049899503 562693166 /nfs/dbraw/zinc/69/31/66/562693166.db2.gz MQOXSVRCBZPXNC-UHFFFAOYSA-N 1 0 700.834 8.491 1 0 in-vitro KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049908044 562693406 /nfs/dbraw/zinc/69/34/06/562693406.db2.gz JCRLFDOWHYRBLY-JHOUSYSJSA-N 1 0 702.840 5.389 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917561 562693562 /nfs/dbraw/zinc/69/35/62/562693562.db2.gz DPBDEJSHFAVZAV-NHCUHLMSSA-N 1 0 603.488 6.781 1 0 KKAFRO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917591 562693630 /nfs/dbraw/zinc/69/36/30/562693630.db2.gz GGIHBVOKRSMNKK-ISJGIBHGSA-N 1 0 543.539 5.768 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049917601 562693642 /nfs/dbraw/zinc/69/36/42/562693642.db2.gz JONSCBPGWJVBSH-WNOXWKSXSA-N 1 0 670.766 6.108 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917613 562693650 /nfs/dbraw/zinc/69/36/50/562693650.db2.gz HOZWLRIMHVJKNF-ZCNNSNEGSA-N 1 0 605.916 6.952 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1ccc(F)c(F)c1F ZINC000049917702 562693813 /nfs/dbraw/zinc/69/38/13/562693813.db2.gz RDGCTCOYYKQDAL-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2CCN(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000049917759 562693829 /nfs/dbraw/zinc/69/38/29/562693829.db2.gz DWGABQQMZWSTMY-UHFFFAOYSA-N 1 0 649.636 5.436 1 0 KKAFRO CC(C)Cn1cc(C2CC[NH+](CCN3CCC(CNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)CC2)c2ccccc21 ZINC000049917734 562693838 /nfs/dbraw/zinc/69/38/38/562693838.db2.gz FRTOQSVKWOYHMS-UHFFFAOYSA-N 1 0 654.299 7.524 1 0 KKAFRO C[N@H+](Cc1ccc(NC(=O)NC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1)C1CCOCC1 ZINC000049917775 562693872 /nfs/dbraw/zinc/69/38/72/562693872.db2.gz DVNODNRLYMITPH-WEVVVXLNSA-N 1 0 545.511 5.430 1 0 KKAFRO CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049917804 562693969 /nfs/dbraw/zinc/69/39/69/562693969.db2.gz CTTZYFKGYRQOAR-WUXMJOGZSA-N 1 0 585.498 6.940 1 0 KKAFRO O=C(Cc1ccccc1)N[C@@H](CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049917805 562693970 /nfs/dbraw/zinc/69/39/70/562693970.db2.gz HFCMAYCVLYRNFC-SANMLTNESA-N 1 0 565.463 6.786 1 0 KKAFRO COc1ccc(CC(=O)N[C@H](CCC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000049917818 562693974 /nfs/dbraw/zinc/69/39/74/562693974.db2.gz CSDJOEYMYKNHRU-MUUNZHRXSA-N 1 0 555.546 7.070 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917855 562694002 /nfs/dbraw/zinc/69/40/02/562694002.db2.gz DJGWKTWKRTXWLC-SFTDATJTSA-N 1 0 619.943 7.295 1 0 KKAFRO COc1cc(N[C@H]2CCC[C@@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)nc2ccccc21 ZINC000049917854 562694039 /nfs/dbraw/zinc/69/40/39/562694039.db2.gz CRKRTZSDQVCDCH-RPWUZVMVSA-N 1 0 540.689 5.948 1 0 KKAFRO O=C(NC[C@@H](CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000049917878 562694083 /nfs/dbraw/zinc/69/40/83/562694083.db2.gz AAZHFPOAWJIRMT-XMMPIXPASA-N 1 0 549.546 8.040 1 0 KKAFRO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCC[N@@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694097 /nfs/dbraw/zinc/69/40/97/562694097.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 1 0 600.594 8.951 1 0 KKAFRO O=c1cc(NCC[C@@H](CNCc2ccc(Br)o2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917932 562694155 /nfs/dbraw/zinc/69/41/55/562694155.db2.gz MOWMGWIMHWQDLU-IBGZPJMESA-N 1 0 653.213 6.159 1 0 KKAFRO O=C(N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049917930 562694163 /nfs/dbraw/zinc/69/41/63/562694163.db2.gz JHMRFSALPVXIBR-SANMLTNESA-N 1 0 545.646 5.749 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OCCC[NH+]3CCCCC3)cc21 ZINC000049917956 562694183 /nfs/dbraw/zinc/69/41/83/562694183.db2.gz ATHLXGZTKCSLTK-UHFFFAOYSA-N 1 0 731.806 8.664 1 0 KKAFRO CC[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCCC2)cc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000049917992 562694237 /nfs/dbraw/zinc/69/42/37/562694237.db2.gz VMKDPVRWRVFXTR-XFCANUNOSA-N 1 0 588.192 6.567 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)NC2CCC(CC[N@@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)cc1C(F)(F)F ZINC000049918039 562694330 /nfs/dbraw/zinc/69/43/30/562694330.db2.gz GKQNEFCNUSWAMR-UHFFFAOYSA-N 1 0 578.741 6.186 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c3ccccc23)ccc1I ZINC000049918088 562694444 /nfs/dbraw/zinc/69/44/44/562694444.db2.gz AIZBTHFRVJECOK-UHFFFAOYSA-N 1 0 552.416 6.091 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049918132 562694505 /nfs/dbraw/zinc/69/45/05/562694505.db2.gz VOPIXGFAIRZWQB-HKFHRXRESA-N 1 0 644.728 5.594 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCNc4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000049938271 562695154 /nfs/dbraw/zinc/69/51/54/562695154.db2.gz SEGBMNCYQYJQGE-UHFFFAOYSA-N 1 0 657.624 5.388 1 0 KKAFRO Cc1cn2cc(C[C@H](C)C[N@@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2n1 ZINC000049952310 562695763 /nfs/dbraw/zinc/69/57/63/562695763.db2.gz JDSZHODNCMSGLL-LBDANMEMSA-N 1 0 549.710 5.187 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCN(c6ccccc6)CC5)c(OC)cc43)ccc2s1 ZINC000052955995 562695946 /nfs/dbraw/zinc/69/59/46/562695946.db2.gz SBIADDNDHYFFBT-UHFFFAOYSA-N 1 0 597.741 6.365 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCN(c6ccccc6)CC5)cc43)ccc2s1 ZINC000052956003 562695968 /nfs/dbraw/zinc/69/59/68/562695968.db2.gz XSNUYDRWPIDWBS-UHFFFAOYSA-N 1 0 597.741 6.365 1 0 KKAFRO CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000053243800 562696875 /nfs/dbraw/zinc/69/68/75/562696875.db2.gz SBDZVNNWAFISGT-SSEXGKCCSA-N 1 0 574.766 5.271 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260351 562696933 /nfs/dbraw/zinc/69/69/33/562696933.db2.gz IIBJTLJAZGFEHF-AWJLRTIGSA-N 1 0 542.736 6.518 1 0 KKAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc3ncccc3c2)n1 ZINC000053276046 562696992 /nfs/dbraw/zinc/69/69/92/562696992.db2.gz CKDMLWHRLPFYKK-UHFFFAOYSA-N 1 0 508.630 5.532 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000053276062 562697039 /nfs/dbraw/zinc/69/70/39/562697039.db2.gz SEWZRZAXSOQIDA-UHFFFAOYSA-N 1 0 542.732 5.806 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297061 562697440 /nfs/dbraw/zinc/69/74/40/562697440.db2.gz FAIUHYZCSXCGFU-QHCPKHFHSA-N 1 0 580.615 5.571 1 0 KKAFRO COc1ccc(C(=O)NC2(C)CC[NH+](CC[C@H](NC(=O)C3CCCCC3)c3cccc(F)c3)CC2)cc1 ZINC000053314018 562697636 /nfs/dbraw/zinc/69/76/36/562697636.db2.gz RGUZVNRWOCTJID-MHZLTWQESA-N 1 0 509.666 5.247 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000055646833 562697741 /nfs/dbraw/zinc/69/77/41/562697741.db2.gz RJVRDLDDCGQDGE-GTRCSXEUSA-N 1 0 620.810 6.044 1 0 KKAFRO Cc1ccc(N(c2ccccc2)S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000058468485 562697916 /nfs/dbraw/zinc/69/79/16/562697916.db2.gz OWKVOSMRWHCUBA-IOWSJCHKSA-N 1 0 625.713 5.603 1 0 KKAFRO CCOc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058487664 562698209 /nfs/dbraw/zinc/69/82/09/562698209.db2.gz XOKQXPCDCRWFMF-SANMLTNESA-N 1 0 505.634 5.778 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000058538653 562698869 /nfs/dbraw/zinc/69/88/69/562698869.db2.gz RCIMAYJLHGXJSS-RXPSNABZSA-N 1 0 509.137 5.127 1 0 KKAFRO [NH3+]C1CCC(Nc2nc3c(ncn3-c3cccc(F)c3)c(Nc3ccc(C(=O)N4CCCCC4)cc3)n2)CC1 ZINC000058540930 562698941 /nfs/dbraw/zinc/69/89/41/562698941.db2.gz KRCOMOOXOZSNAJ-UHFFFAOYSA-N 1 0 528.636 5.006 1 0 KKAFRO C[C@H](C[NH+]1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058541726 562699002 /nfs/dbraw/zinc/69/90/02/562699002.db2.gz SKRSEMAOUGTIHW-HKLFXDKOSA-N 1 0 627.773 6.898 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000058547191 562699048 /nfs/dbraw/zinc/69/90/48/562699048.db2.gz HMYAEJVTRKONJY-GGAORHGYSA-N 1 0 512.663 5.622 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH2+]CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058555025 562699255 /nfs/dbraw/zinc/69/92/55/562699255.db2.gz VVYUVUVFTYVYIG-GOSISDBHSA-N 1 0 559.095 5.451 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000058576688 562699730 /nfs/dbraw/zinc/69/97/30/562699730.db2.gz NHBFDSAAENLDDM-KKNAZMBSSA-N 1 0 570.605 6.705 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CCC2)c1 ZINC000058591478 562700472 /nfs/dbraw/zinc/70/04/72/562700472.db2.gz LTNAISJBIJICDN-RUZDIDTESA-N 1 0 634.044 7.301 1 0 KKAFRO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593565 562700685 /nfs/dbraw/zinc/70/06/85/562700685.db2.gz UMVQRVFLSLPAEH-FKBYEOEOSA-N 1 0 521.464 5.419 1 0 KKAFRO O=C1N(c2ccc(F)c(Cl)c2)[C@H](c2ccccn2)C12CCN(c1nc3cc(F)c(Cl)cc3[nH]1)CC2 ZINC000058602663 562700864 /nfs/dbraw/zinc/70/08/64/562700864.db2.gz XVBZNKYJEANPDR-JOCHJYFZSA-N 1 0 514.363 5.918 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000058609175 562700997 /nfs/dbraw/zinc/70/09/97/562700997.db2.gz LAMVCVCMNGYVFR-WIIGKZCBSA-N 1 0 579.160 6.331 1 0 KKAFRO Cn1c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058655527 562701372 /nfs/dbraw/zinc/70/13/72/562701372.db2.gz XHDDICMHLMFWSS-UHFFFAOYSA-N 1 0 573.952 6.265 1 0 KKAFRO COCCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059030997 562701575 /nfs/dbraw/zinc/70/15/75/562701575.db2.gz YKXBGFUGODNNQZ-NDEPHWFRSA-N 1 0 578.580 8.209 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=Nc1cc(OC)c(OC)c(OC)c1)C1C(=O)OC(C)(C)OC1=O ZINC000059033401 562701672 /nfs/dbraw/zinc/70/16/72/562701672.db2.gz KFLZSAWEIXFKEF-QFIPXVFZSA-N 1 0 596.765 6.941 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 ZINC000059353609 562701984 /nfs/dbraw/zinc/70/19/84/562701984.db2.gz BWBKZHLNVLQLSF-OAQYLSRUSA-N 1 0 561.192 5.232 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895954 562702932 /nfs/dbraw/zinc/70/29/32/562702932.db2.gz VTZGCABMMZRTAE-LJAQVGFWSA-N 1 0 513.041 6.040 3 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905245 562703013 /nfs/dbraw/zinc/70/30/13/562703013.db2.gz SHDOWDKRLICSAH-RUZDIDTESA-N 1 0 518.872 6.038 3 0 KKAFRO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923947 562703524 /nfs/dbraw/zinc/70/35/24/562703524.db2.gz OLUKHOPUUWMDEI-ZONZVBGPSA-N 1 0 509.050 5.218 3 0 KKAFRO CC(C)N(CCC[NH3+])C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540240 562704515 /nfs/dbraw/zinc/70/45/15/562704515.db2.gz STUPRWVTVIXNLF-UHFFFAOYSA-N 1 0 526.685 6.166 1 0 KKAFRO C[NH+](C)CCCCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540245 562704534 /nfs/dbraw/zinc/70/45/34/562704534.db2.gz AGSASGLZNILGCY-UHFFFAOYSA-N 1 0 526.685 6.039 1 0 KKAFRO CC[C@@H](C)C[C@H](NC(=O)[C@@H](NC[C@@H](O)[C@@H]([NH3+])CCCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)NCCCc1ccccc1 ZINC000064437240 562705274 /nfs/dbraw/zinc/70/52/74/562705274.db2.gz BTJIOQIVSIPVBA-ARVWSKGKSA-N 1 0 628.902 5.649 1 0 KKAFRO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447951 562705458 /nfs/dbraw/zinc/70/54/58/562705458.db2.gz KXODPPGRRVGQDI-GOTSBHOMSA-N 1 0 576.655 6.199 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c2ccccc21 ZINC000064448105 562705461 /nfs/dbraw/zinc/70/54/61/562705461.db2.gz FFURISGHTWLMMF-GOTSBHOMSA-N 1 0 548.654 6.048 1 0 KKAFRO Cc1cnc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)o1 ZINC000064513598 562706450 /nfs/dbraw/zinc/70/64/50/562706450.db2.gz VNUBQNKDVWXUFW-GKRYNVPLSA-N 1 0 624.216 8.062 1 0 KKAFRO CC(C)(C[NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064526914 562706691 /nfs/dbraw/zinc/70/66/91/562706691.db2.gz DPWJKFPPNOLGJR-SVBPBHIXSA-N 1 0 578.544 5.913 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1ccc(C(C)(C)C)cc1 ZINC000064527356 562706874 /nfs/dbraw/zinc/70/68/74/562706874.db2.gz HOLWSOLYCXROBT-UHFFFAOYSA-N 1 0 600.779 8.678 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4CCC(=O)N(C)C)cc3C)cc2)c(Cl)c1 ZINC000064549029 562707967 /nfs/dbraw/zinc/70/79/67/562707967.db2.gz RQMAZORAJNUJBP-LJAQVGFWSA-N 1 0 619.633 8.041 1 0 KKAFRO CC1(C)COC(CCC[N@@H+]2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559933 562708453 /nfs/dbraw/zinc/70/84/53/562708453.db2.gz KGQQZJWWWKYPSC-SSEXGKCCSA-N 1 0 519.657 6.002 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(OC4CC[NH+](C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000064744235 562709105 /nfs/dbraw/zinc/70/91/05/562709105.db2.gz FASALJZFFLCNKM-GOSISDBHSA-N 1 0 538.570 5.756 1 0 in-vitro KKAFRO CC1(N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066066087 562709236 /nfs/dbraw/zinc/70/92/36/562709236.db2.gz QXHNFTXJKOORIT-UHFFFAOYSA-N 1 0 621.440 6.802 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066441 562709386 /nfs/dbraw/zinc/70/93/86/562709386.db2.gz ZYQUJIGXLRKQQU-DICHSLLOSA-N 1 0 599.002 6.691 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066443 562709394 /nfs/dbraw/zinc/70/93/94/562709394.db2.gz ZYQUJIGXLRKQQU-HVIPQOSHSA-N 1 0 599.002 6.691 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073652 562709494 /nfs/dbraw/zinc/70/94/94/562709494.db2.gz NUISDCKIKSBXQV-IEWVHIKDSA-N 1 0 599.002 6.691 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073969 562709623 /nfs/dbraw/zinc/70/96/23/562709623.db2.gz RXIFDJMCJKEING-MGBGTMOVSA-N 1 0 606.815 5.653 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066073983 562709678 /nfs/dbraw/zinc/70/96/78/562709678.db2.gz RZZCRJFYHDAULL-YAZNYETNSA-N 1 0 548.722 6.970 1 0 KKAFRO Cc1ccc(N2CC[NH+](CCCCOc3ccc4c(=O)cc(-c5ccc(Cl)cc5)oc4c3)CC2)cc1 ZINC000066074273 562709743 /nfs/dbraw/zinc/70/97/43/562709743.db2.gz ANLABOQKKPMUKX-UHFFFAOYSA-N 1 0 503.042 6.403 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066074295 562709756 /nfs/dbraw/zinc/70/97/56/562709756.db2.gz OJCDGMHBQVTOKH-QFIPXVFZSA-N 1 0 540.455 5.248 1 0 KKAFRO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074276 562709767 /nfs/dbraw/zinc/70/97/67/562709767.db2.gz NLIKRVUFEZIMOB-NRFANRHFSA-N 1 0 554.085 5.118 1 0 KKAFRO CS(=O)(=O)c1ccc(-c2noc(C3CC[NH+](CCC(=O)N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)CC3)n2)cc1 ZINC000066077850 562710345 /nfs/dbraw/zinc/71/03/45/562710345.db2.gz PJTVIZQSPCSLHW-DEOSSOPVSA-N 1 0 617.559 5.256 1 0 KKAFRO Cc1cc(OCCc2cc(Cl)ccc2OCC(=O)N[C@@H]2CCC[NH2+]C2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079638 562710631 /nfs/dbraw/zinc/71/06/31/562710631.db2.gz YSVQVPYNHZXRGR-HHHXNRCGSA-N 1 0 558.163 5.271 1 0 KKAFRO Cn1nc(Cc2ccccc2)cc1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066079486 562710635 /nfs/dbraw/zinc/71/06/35/562710635.db2.gz LJTVHAQRPVLLMC-GDLZYMKVSA-N 1 0 542.749 5.343 1 0 KKAFRO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(F)c(F)c3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066099301 562711060 /nfs/dbraw/zinc/71/10/60/562711060.db2.gz KXOXGMSSGWQNPP-FQEVSTJZSA-N 1 0 588.530 5.772 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000066099421 562711087 /nfs/dbraw/zinc/71/10/87/562711087.db2.gz NJEMEONEYOQVJD-GSJDOASHSA-N 1 0 508.544 5.715 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)cs2)cc1 ZINC000066101536 562711387 /nfs/dbraw/zinc/71/13/87/562711387.db2.gz UMTVURUICSFHRQ-UHFFFAOYSA-N 1 0 501.693 5.972 1 0 KKAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(CC[NH+]5CCCCC5)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066104158 562711651 /nfs/dbraw/zinc/71/16/51/562711651.db2.gz NEBYOKSSNRJKSW-QGWJVEIISA-N 1 0 586.685 5.254 1 0 KKAFRO [NH3+]Cc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066112761 562712107 /nfs/dbraw/zinc/71/21/07/562712107.db2.gz USXXPFFCBBHACO-LJQANCHMSA-N 1 0 524.543 5.444 1 0 KKAFRO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCn2ccnc2)C(=O)N2CCc3c4ccc(-c5ccco5)cc4[nH]c3[C@]12C)C(C)C ZINC000066113542 562712190 /nfs/dbraw/zinc/71/21/90/562712190.db2.gz IFIUROUYXGHBCQ-ZDMRONSHSA-N 1 0 612.775 5.102 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066128536 562712763 /nfs/dbraw/zinc/71/27/63/562712763.db2.gz ACSVFUACEODJDN-BRUQSJHLSA-N 1 0 594.712 5.478 3 0 KKAFRO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C(\F)C(=O)NCC[NH+]1CCCC1 ZINC000066138437 562713279 /nfs/dbraw/zinc/71/32/79/562713279.db2.gz YJEHFTZFENYBBO-IWIPYMOSSA-N 1 0 528.003 5.423 1 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C[NH2+]CCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157546 562713954 /nfs/dbraw/zinc/71/39/54/562713954.db2.gz MRLNQNFCYNVUEX-GOTSBHOMSA-N 1 0 558.727 5.367 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000066165988 562714022 /nfs/dbraw/zinc/71/40/22/562714022.db2.gz NXXFVICVKMKDAU-VIPXIGFPSA-N 1 0 636.749 6.078 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000066166904 562714165 /nfs/dbraw/zinc/71/41/65/562714165.db2.gz HBRBWGLNHPGTIF-YDPTYEFTSA-N 1 0 628.009 6.270 3 0 KKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066252751 562714838 /nfs/dbraw/zinc/71/48/38/562714838.db2.gz LQMIGQAGSMATNK-UHFFFAOYSA-N 1 0 509.946 7.143 1 0 KKAFRO O=C(CC[NH2+]C[C@@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066252763 562714874 /nfs/dbraw/zinc/71/48/74/562714874.db2.gz LITUTFJTPYHKOE-NRFANRHFSA-N 1 0 582.726 5.497 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(N[C@H]3CCC[NH2+]C3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066258800 562715092 /nfs/dbraw/zinc/71/50/92/562715092.db2.gz VZAFKJMMFIFKPS-SFHVURJKSA-N 1 0 551.539 5.422 1 0 KKAFRO CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@H]1CCC[N@H+](C)C1 ZINC000066259001 562715164 /nfs/dbraw/zinc/71/51/64/562715164.db2.gz GBYAZONQWPEDEC-FQEVSTJZSA-N 1 0 579.593 5.788 1 0 KKAFRO CC(C)C[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260049 562715411 /nfs/dbraw/zinc/71/54/11/562715411.db2.gz IBGHJRNYLZKHRY-UHFFFAOYSA-N 1 0 593.620 6.036 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCOC)c1 ZINC000068106255 562715778 /nfs/dbraw/zinc/71/57/78/562715778.db2.gz XFJSBMXXKPHIIX-NOCHOARKSA-N 1 0 699.716 7.248 1 0 KKAFRO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[NH2+]C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000068197381 562715870 /nfs/dbraw/zinc/71/58/70/562715870.db2.gz LIFXVTDIRXSOPW-ZNGXGWPMSA-N 1 0 670.682 6.719 1 0 KKAFRO CC[C@@H]1C[NH2+]C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)nc3)[C@H]2c2ccc(Cl)c(F)c2)S1 ZINC000068244405 562716060 /nfs/dbraw/zinc/71/60/60/562716060.db2.gz QUYOIFDRHGZSFZ-YABFKZQLSA-N 1 0 703.687 6.452 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245722 562716065 /nfs/dbraw/zinc/71/60/65/562716065.db2.gz SEFCGYCHSOJILP-DEOSSOPVSA-N 1 0 526.589 5.287 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000068245926 562716132 /nfs/dbraw/zinc/71/61/32/562716132.db2.gz XLTWZDGRMSMNLT-UHFFFAOYSA-N 1 0 591.638 5.780 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4nnc(C)o4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631601 562716437 /nfs/dbraw/zinc/71/64/37/562716437.db2.gz HJHRUMZQSNPUKZ-QIDLSXJSSA-N 1 0 530.713 5.841 1 0 KKAFRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)c1 ZINC000070631594 562716440 /nfs/dbraw/zinc/71/64/40/562716440.db2.gz QYZHZZJEYNWHAF-CZMKHNCBSA-N 1 0 545.768 5.724 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071280825 562716598 /nfs/dbraw/zinc/71/65/98/562716598.db2.gz HTCRWUGPSVKEOD-BETPUDKTSA-N 1 0 600.729 7.796 1 0 KKAFRO CNc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281441 562716671 /nfs/dbraw/zinc/71/66/71/562716671.db2.gz DJZPIUMKFAGORF-BWMKXQIXSA-N 1 0 547.747 6.510 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071281785 562716771 /nfs/dbraw/zinc/71/67/71/562716771.db2.gz VWICMIXPVPBSFH-BETPUDKTSA-N 1 0 567.177 7.430 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000071294444 562716847 /nfs/dbraw/zinc/71/68/47/562716847.db2.gz RHNDDANSHAHRMU-BETPUDKTSA-N 1 0 550.722 6.916 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000071294387 562716854 /nfs/dbraw/zinc/71/68/54/562716854.db2.gz IYGVPYIYKUYUKP-ULJKERAFSA-N 1 0 568.712 7.055 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCn1cc(-c2ccccc2)nn1)CCc1cc2c(cc1-3)OCO2 ZINC000071294424 562716869 /nfs/dbraw/zinc/71/68/69/562716869.db2.gz GUPLSJLSLZRHLU-UHFFFAOYSA-N 1 0 521.597 5.205 1 0 KKAFRO CCCCN(CCCC)c1cn(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071295362 562717173 /nfs/dbraw/zinc/71/71/73/562717173.db2.gz YJGOHJCPIBSWCH-UHFFFAOYSA-N 1 0 558.703 5.555 1 0 KKAFRO O=C(Oc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1)c1ccccc1 ZINC000071295956 562717379 /nfs/dbraw/zinc/71/73/79/562717379.db2.gz MDCAQMGGTDADIS-UHFFFAOYSA-N 1 0 535.579 6.082 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071296427 562717508 /nfs/dbraw/zinc/71/75/08/562717508.db2.gz SCBFPLDUOJGCDI-RPLLCQBOSA-N 1 0 523.073 5.444 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCCN(C)S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296450 562717532 /nfs/dbraw/zinc/71/75/32/562717532.db2.gz TWNPKIQHYYMCGF-NEKDWFFYSA-N 1 0 556.128 5.104 1 0 KKAFRO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000071297080 562717690 /nfs/dbraw/zinc/71/76/90/562717690.db2.gz KHXUDLHKQASZJR-UHFFFAOYSA-N 1 0 588.752 6.299 1 0 KKAFRO COc1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071316347 562717904 /nfs/dbraw/zinc/71/79/04/562717904.db2.gz FLCOWDAPEOXPIR-CLYVBNDRSA-N 1 0 611.492 6.852 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)N(C)c2cccc(Cl)c2)cc1 ZINC000071316678 562718012 /nfs/dbraw/zinc/71/80/12/562718012.db2.gz VODDIVRAKXDCSW-WNCULLNHSA-N 1 0 523.073 5.677 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317348 562718222 /nfs/dbraw/zinc/71/82/22/562718222.db2.gz VXCFNXWSONWJOA-SFHVURJKSA-N 1 0 594.461 6.952 1 0 KKAFRO CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](CC)[NH2+]1 ZINC000071317753 562718285 /nfs/dbraw/zinc/71/82/85/562718285.db2.gz ZQDYFCAQLYEQJM-SSBOKUKZSA-N 1 0 599.836 5.013 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318513 562718537 /nfs/dbraw/zinc/71/85/37/562718537.db2.gz SEGQUBJRIWCWBZ-QLXKLKPCSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318570 562718539 /nfs/dbraw/zinc/71/85/39/562718539.db2.gz JVEPBRRLJSYTHH-CLYVBNDRSA-N 1 0 598.468 7.587 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318567 562718551 /nfs/dbraw/zinc/71/85/51/562718551.db2.gz JVEPBRRLJSYTHH-XRHLQHRESA-N 1 0 598.468 7.587 1 0 KKAFRO Cc1nc(N2CC[NH+](C)CC2)cc(-c2ccccc2)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071330382 562719147 /nfs/dbraw/zinc/71/91/47/562719147.db2.gz AFZUBBFQMWDRAV-UHFFFAOYSA-N 1 0 550.547 6.119 1 0 KKAFRO O=C(Cn1c(=O)c2cc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071332000 562719334 /nfs/dbraw/zinc/71/93/34/562719334.db2.gz APLNTDBKSIRJBX-UHFFFAOYSA-N 1 0 506.650 5.243 1 0 KKAFRO CC(C)NC(=O)Cn1c(=O)c2cc(-c3cccc(C[NH+]4CCC4)c3)ccc2nc1-c1cccc(Cl)c1 ZINC000071333903 562719475 /nfs/dbraw/zinc/71/94/75/562719475.db2.gz XDZXOKQGNOTMCB-UHFFFAOYSA-N 1 0 501.030 5.114 1 0 KKAFRO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340502 562719787 /nfs/dbraw/zinc/71/97/87/562719787.db2.gz NGOUBZNVARCMNU-YHHBSCGTSA-N 1 0 509.009 6.114 1 0 KKAFRO COc1cc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341831 562720041 /nfs/dbraw/zinc/72/00/41/562720041.db2.gz JJZIVINBRAZEBB-VCEZEUKISA-N 1 0 603.741 5.111 1 0 KKAFRO C[NH+](C)CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071341758 562720056 /nfs/dbraw/zinc/72/00/56/562720056.db2.gz XEFLLSPZIKHPDN-IXCJQBJRSA-N 1 0 621.377 6.709 1 0 KKAFRO COc1ccc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342007 562720084 /nfs/dbraw/zinc/72/00/84/562720084.db2.gz UDJFXWAYBUHRBB-WNVMKCEGSA-N 1 0 543.689 5.093 1 0 KKAFRO COc1ccc(-n2c(C)c(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104732 562720605 /nfs/dbraw/zinc/72/06/05/562720605.db2.gz YEHSHECFCRVGCV-UHFFFAOYSA-N 1 0 558.126 5.760 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCCF)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107614 562721308 /nfs/dbraw/zinc/72/13/08/562721308.db2.gz LGKPLVADHFYFMD-REUBFRLUSA-N 1 0 632.211 6.900 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCCC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110026 562721740 /nfs/dbraw/zinc/72/17/40/562721740.db2.gz PFJSCXYDDKLLFK-LXQNXJGFSA-N 1 0 640.259 7.437 1 0 KKAFRO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112252 562722044 /nfs/dbraw/zinc/72/20/44/562722044.db2.gz FBOIRBIXZYHAQS-BLYXRRLCSA-N 1 0 574.772 6.943 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6ccc(C(F)(F)F)cc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112378 562722078 /nfs/dbraw/zinc/72/20/78/562722078.db2.gz MHJARVITZIZBSY-FGPHBKPNSA-N 1 0 614.715 7.185 1 0 KKAFRO CNC(=O)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072112672 562722163 /nfs/dbraw/zinc/72/21/63/562722163.db2.gz LHZFPIBNQGHULX-ZWEKWIFMSA-N 1 0 600.194 6.560 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6ccccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112909 562722181 /nfs/dbraw/zinc/72/21/81/562722181.db2.gz LKTXRKXRVVTKKV-YISDRRAZSA-N 1 0 546.718 6.166 1 0 KKAFRO CC[NH+](CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072112934 562722191 /nfs/dbraw/zinc/72/21/91/562722191.db2.gz YKLLFVQSYPMPIH-XZWHSSHBSA-N 1 0 568.545 7.202 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)OCC[NH+](C)C)c(OC(C)C)c1 ZINC000072114293 562722675 /nfs/dbraw/zinc/72/26/75/562722675.db2.gz UNDGFWXBHFJPGJ-NSOVKSMOSA-N 1 0 570.517 7.032 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000072116879 562723269 /nfs/dbraw/zinc/72/32/69/562723269.db2.gz QKUTWAZQTVUFOW-QFIPXVFZSA-N 1 0 544.599 5.347 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2ccccc2c1 ZINC000072117072 562723368 /nfs/dbraw/zinc/72/33/68/562723368.db2.gz GQFFESFGERZVLE-AREMUKBSSA-N 1 0 510.663 5.602 1 0 KKAFRO Cc1nsc2nc([C@@H](C(C)C)N(CCC[NH3+])C(=O)c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c12 ZINC000072118036 562723411 /nfs/dbraw/zinc/72/34/11/562723411.db2.gz CKABYDWSHAEZGB-HSZRJFAPSA-N 1 0 568.541 5.161 1 0 KKAFRO Cc1nsc2nc([C@H](C(C)C)N(CCC[NH3+])C(=O)c3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c12 ZINC000072118037 562723427 /nfs/dbraw/zinc/72/34/27/562723427.db2.gz CKABYDWSHAEZGB-QHCPKHFHSA-N 1 0 568.541 5.161 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cc2ccccc2s1 ZINC000072118277 562723510 /nfs/dbraw/zinc/72/35/10/562723510.db2.gz OKMHEUYUSKEUTD-JOCHJYFZSA-N 1 0 516.692 5.663 1 0 KKAFRO FC(F)(F)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC000072118827 562723635 /nfs/dbraw/zinc/72/36/35/562723635.db2.gz MFMWLMNETVQKDA-UHFFFAOYSA-N 1 0 516.489 6.654 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@@H](CCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119033 562723749 /nfs/dbraw/zinc/72/37/49/562723749.db2.gz WDRRPXSNQZKAPJ-FVXXUCQHSA-N 1 0 658.848 5.185 1 0 KKAFRO 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)CCC(F)(F)F)cc2C1=O ZINC000072119606 562723812 /nfs/dbraw/zinc/72/38/12/562723812.db2.gz DQMSHBPWTQYHPD-NWWGNFDPSA-N 1 0 690.631 7.202 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072121491 562724288 /nfs/dbraw/zinc/72/42/88/562724288.db2.gz LRORJSKSVZGRTN-LGVUCKNBSA-N 1 0 573.553 5.017 3 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123628 562724764 /nfs/dbraw/zinc/72/47/64/562724764.db2.gz GNXSWEKHDYCYOO-ZOYWYXQUSA-N 1 0 633.447 7.344 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123705 562724884 /nfs/dbraw/zinc/72/48/84/562724884.db2.gz NFGNNHZUGBVANR-ZQWQDMLBSA-N 1 0 720.021 6.031 3 0 KKAFRO O=S(=O)(Nc1ccc(C[C@@H]2CC[C@@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126801 562725445 /nfs/dbraw/zinc/72/54/45/562725445.db2.gz CVNUDPVQPWCUGZ-LVCXIWIQSA-N 1 0 649.760 7.693 1 0 KKAFRO Cc1ccc(NC(=O)c2ncn(CCC[NH+](CCCn3cnc(C(=O)Nc4ccc(C)c(C)c4)n3)Cc3ccc4[nH]ccc4c3)n2)cc1C ZINC000072127008 562725566 /nfs/dbraw/zinc/72/55/66/562725566.db2.gz YVZOMXLCKXYVEA-UHFFFAOYSA-N 1 0 658.811 6.072 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127031 562725591 /nfs/dbraw/zinc/72/55/91/562725591.db2.gz RYDIFBSRXOKUDD-ZYADHFCISA-N 1 0 730.057 6.233 3 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1 ZINC000073159868 562734012 /nfs/dbraw/zinc/73/40/12/562734012.db2.gz PRVWMJVSFWNIFV-JPYJTQIMSA-N 1 0 500.895 5.163 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCN2C(=O)N3CCC[C@]3(CCCCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072128771 562726296 /nfs/dbraw/zinc/72/62/96/562726296.db2.gz AFNGHTWCRNTHHB-RRHRGVEJSA-N 1 0 732.992 5.933 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)Cc6cccc(C(F)(F)F)c6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128780 562726362 /nfs/dbraw/zinc/72/63/62/562726362.db2.gz WOMHDKBUDDJYHQ-NGZBDLKASA-N 1 0 644.888 8.265 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(C(C)C)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129820 562726403 /nfs/dbraw/zinc/72/64/03/562726403.db2.gz KQEPGXKTWQOWGB-BCFRNYDHSA-N 1 0 688.338 7.201 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000072129846 562726476 /nfs/dbraw/zinc/72/64/76/562726476.db2.gz UWECJOYEFRYCLM-QUGAMOGWSA-N 1 0 631.910 7.376 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)CCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129933 562726600 /nfs/dbraw/zinc/72/66/00/562726600.db2.gz JEZIOZMCMPTLRQ-RKYOAFJVSA-N 1 0 659.937 6.342 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(F)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129960 562726667 /nfs/dbraw/zinc/72/66/67/562726667.db2.gz IAOKTLFQWXBFIY-ZVBBVAIHSA-N 1 0 698.692 6.870 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000072133460 562727027 /nfs/dbraw/zinc/72/70/27/562727027.db2.gz NIQNUTWSSZLHED-RRRPKEFSSA-N 1 0 643.891 5.795 3 0 KKAFRO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134159 562727262 /nfs/dbraw/zinc/72/72/62/562727262.db2.gz SBLSCNQSOAHLKU-JEFKESASSA-N 1 0 662.856 6.867 3 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134196 562727265 /nfs/dbraw/zinc/72/72/65/562727265.db2.gz UHQCOWSGJCJWSA-HQPLKVBUSA-N 1 0 712.042 6.369 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137972 562728548 /nfs/dbraw/zinc/72/85/48/562728548.db2.gz OPEGQSWCUZCCSS-BQYLNSIHSA-N 1 0 714.058 6.528 3 0 KKAFRO 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 ZINC000072139483 562728985 /nfs/dbraw/zinc/72/89/85/562728985.db2.gz FDDMFJKLVOMWML-ZHBPACGQSA-N 1 0 703.683 7.704 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147610 562729739 /nfs/dbraw/zinc/72/97/39/562729739.db2.gz AFFAQTIQURLOEQ-NHKHRBQYSA-N 1 0 703.111 6.105 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147622 562729748 /nfs/dbraw/zinc/72/97/48/562729748.db2.gz XRZNDNRJEXKCKQ-FQLXRVMXSA-N 1 0 677.069 6.510 1 0 KKAFRO COc1ccc([C@H](C)C[NH+](C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172131 562730645 /nfs/dbraw/zinc/73/06/45/562730645.db2.gz WCJGGTAAPIAIJS-BBFPSNOWSA-N 1 0 737.894 6.367 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1[S@]2=O ZINC000072173112 562730749 /nfs/dbraw/zinc/73/07/49/562730749.db2.gz FZXIWDFNEZVGIF-QNGWXLTQSA-N 1 0 517.695 5.092 1 0 KKAFRO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000072173234 562730837 /nfs/dbraw/zinc/73/08/37/562730837.db2.gz MDBJKEVTZVRTPR-LDLOPFEMSA-N 1 0 547.696 5.537 1 0 KKAFRO O=C(NCC1([NH2+]C2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072178690 562732134 /nfs/dbraw/zinc/73/21/34/562732134.db2.gz KTMRSBPRMZBLDM-UHFFFAOYSA-N 1 0 502.663 5.409 1 0 KKAFRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181477 562732774 /nfs/dbraw/zinc/73/27/74/562732774.db2.gz AWUSEWFIOJHHGJ-MHZLTWQESA-N 1 0 510.642 5.401 1 0 KKAFRO O=C(Nc1cccc(Br)c1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1 ZINC000072182609 562732822 /nfs/dbraw/zinc/73/28/22/562732822.db2.gz AVDLCFQZXXKECZ-UHFFFAOYSA-N 1 0 509.444 6.145 1 0 KKAFRO Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182177 562732847 /nfs/dbraw/zinc/73/28/47/562732847.db2.gz SBFIOSDRDYETRF-FQEVSTJZSA-N 1 0 515.498 5.458 1 0 KKAFRO Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+]C[C@@H]2Cc2ccccc2)c2ncccc2n1-c1ccccc1 ZINC000072182733 562732865 /nfs/dbraw/zinc/73/28/65/562732865.db2.gz SESUGWVGPKXMLN-MHZLTWQESA-N 1 0 516.645 6.091 1 0 KKAFRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186168 562732978 /nfs/dbraw/zinc/73/29/78/562732978.db2.gz AHOIRQGPGBEGIH-QHCPKHFHSA-N 1 0 527.971 5.425 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc(F)cn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318470 562733245 /nfs/dbraw/zinc/73/32/45/562733245.db2.gz GZCPBKYTXSPNQJ-CRFRDXJISA-N 1 0 586.933 6.127 1 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318472 562733249 /nfs/dbraw/zinc/73/32/49/562733249.db2.gz SPLGKYRHYYLJLJ-CRFRDXJISA-N 1 0 570.478 5.613 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318467 562733287 /nfs/dbraw/zinc/73/32/87/562733287.db2.gz ABJSOROVZZKJGI-WTVRZORLSA-N 1 0 586.933 6.127 1 0 in-vitro KKAFRO COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CN3c2ccc(Cl)c(Cl)c2)cc1N1CC[NH+](C)CC1 ZINC000073138075 562733367 /nfs/dbraw/zinc/73/33/67/562733367.db2.gz ZXYWAUPKMQONSC-UHFFFAOYSA-N 1 0 554.478 5.121 1 0 KKAFRO CC[N@H+](CCO)CCCOc1cc2ncnc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)c2cc1OC ZINC000073158487 562733968 /nfs/dbraw/zinc/73/39/68/562733968.db2.gz AYLODKCAMSITQA-UHFFFAOYSA-N 1 0 620.175 6.894 1 0 KKAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073198129 562735516 /nfs/dbraw/zinc/73/55/16/562735516.db2.gz CTMPEJUEISMGOY-WJOKGBTCSA-N 1 0 609.598 5.611 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](CCc2ccccc2)C1=O ZINC000073198374 562735687 /nfs/dbraw/zinc/73/56/87/562735687.db2.gz LVWYTEIVGDGPOX-WDYNHAJCSA-N 1 0 538.688 5.701 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4ccccc4c3=O)CC2)c1 ZINC000073220144 562736188 /nfs/dbraw/zinc/73/61/88/562736188.db2.gz LWZOLPCYBYTCPD-UHFFFAOYSA-N 1 0 548.609 6.310 1 0 KKAFRO COc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073220620 562736248 /nfs/dbraw/zinc/73/62/48/562736248.db2.gz DQUOYXILBAZZRB-FXVJXKIMSA-N 1 0 553.172 5.931 1 0 KKAFRO COc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5o4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073222105 562736337 /nfs/dbraw/zinc/73/63/37/562736337.db2.gz XBUVDZQWJBXQFR-FXVJXKIMSA-N 1 0 558.748 6.024 1 0 KKAFRO O=C(N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2coc3cccc(Cl)c3c2=O)cc1 ZINC000073222534 562736381 /nfs/dbraw/zinc/73/63/81/562736381.db2.gz ZIKVIXWYHQYBEP-NDEPHWFRSA-N 1 0 527.064 6.907 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000073223990 562736584 /nfs/dbraw/zinc/73/65/84/562736584.db2.gz NOMAJLSWAKZQQU-PMERELPUSA-N 1 0 506.650 5.487 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073224340 562736639 /nfs/dbraw/zinc/73/66/39/562736639.db2.gz JZLGUOKBQBXEDW-DPSWKAHMSA-N 1 0 532.006 5.752 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000073310878 562737826 /nfs/dbraw/zinc/73/78/26/562737826.db2.gz ABABGOMCKUKBIN-NACPOSOTSA-N 1 0 580.747 6.303 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c2cccc(F)c2)CC1 ZINC000082136609 562738908 /nfs/dbraw/zinc/73/89/08/562738908.db2.gz YCRSKOWDWNEKJU-UHFFFAOYSA-N 1 0 682.725 5.773 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140468 562739457 /nfs/dbraw/zinc/73/94/57/562739457.db2.gz NCLGXQKSEWVACV-JRUOEYPLSA-N 1 0 740.820 5.210 1 0 KKAFRO CCOC(=O)Nc1nc(N[C@H](C)CCC[NH+](CC)CC)c2c(n1)S[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153673 562740218 /nfs/dbraw/zinc/74/02/18/562740218.db2.gz QPAPXDIFCXITEA-QFQXNSOFSA-N 1 0 546.741 6.935 1 0 KKAFRO CC(C)c1c(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082154893 562740373 /nfs/dbraw/zinc/74/03/73/562740373.db2.gz NMPLROITLQYWAS-HHKOPIGSSA-N 1 0 504.759 6.402 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(C[NH2+]CCF)ccc1Cl)C1CC1 ZINC000082154596 562740412 /nfs/dbraw/zinc/74/04/12/562740412.db2.gz KXPQZECSZUOAFK-WJOKGBTCSA-N 1 0 627.588 5.560 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3cccc(F)c3)c(Cl)c2)CC1 ZINC000082155152 562740456 /nfs/dbraw/zinc/74/04/56/562740456.db2.gz MZQUVSKGNPYPLL-UHFFFAOYSA-N 1 0 535.023 6.531 1 0 KKAFRO C[NH+](C)CCCc1ccc(OC(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 ZINC000082155825 562740592 /nfs/dbraw/zinc/74/05/92/562740592.db2.gz INCAIRNHZBEWOA-UHFFFAOYSA-N 1 0 521.996 6.229 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157524 562740935 /nfs/dbraw/zinc/74/09/35/562740935.db2.gz UUJNEICCDMYHRP-HJIQQCSTSA-N 1 0 705.889 5.419 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165079 562741355 /nfs/dbraw/zinc/74/13/55/562741355.db2.gz QXSAFGQAHODVKD-FJQKOURKSA-N 1 0 726.307 5.764 1 0 KKAFRO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1OC ZINC000082185545 562742270 /nfs/dbraw/zinc/74/22/70/562742270.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 1 0 726.867 7.072 1 0 KKAFRO COc1ccc(F)cc1-c1cccc(C[NH2+]C2CCN(C[C@@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000084373677 562742899 /nfs/dbraw/zinc/74/28/99/562742899.db2.gz RNYSYXPINOUNRW-HSZRJFAPSA-N 1 0 515.604 5.307 1 0 KKAFRO O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000084403314 562742976 /nfs/dbraw/zinc/74/29/76/562742976.db2.gz HDNVEIAURQYZGK-UHFFFAOYSA-N 1 0 531.966 5.109 1 0 KKAFRO Cc1cccc(/C=C/[C@@H]2[C@H](N3C(=O)OC[C@@H]3c3ccccc3)C(=O)N2[C@H](CC(=O)N2CCC([NH+]3CCCCC3)CC2)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000084559240 562743336 /nfs/dbraw/zinc/74/33/36/562743336.db2.gz POVCGZXXAPOAIT-OGLIIGCHSA-N 1 0 717.911 5.894 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Oc3ccccc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596038 562743630 /nfs/dbraw/zinc/74/36/30/562743630.db2.gz QEBJERYIRRSQEO-UHFFFAOYSA-N 1 0 512.094 5.173 1 0 KKAFRO CCCCOc1cc2c(cc1OCC[NH+](CC)CC)ncnc2Nc1ccc(NC(=O)OC)c(Cl)c1 ZINC000084596551 562743717 /nfs/dbraw/zinc/74/37/17/562743717.db2.gz FARPVPMCEBTTDI-UHFFFAOYSA-N 1 0 516.042 6.105 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCCC3)[nH]nc21 ZINC000084596859 562743862 /nfs/dbraw/zinc/74/38/62/562743862.db2.gz QHKIPJGWHPLRLD-HKBQPEDESA-N 1 0 593.732 5.795 1 0 KKAFRO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)C2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602864 562744090 /nfs/dbraw/zinc/74/40/90/562744090.db2.gz FMBRHZYZHKAXIP-SLGOVJDISA-N 1 0 560.739 5.447 1 0 KKAFRO Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(C[NH+]3CCCCC3)cn2)cc2c[nH]nc21 ZINC000084614780 562744408 /nfs/dbraw/zinc/74/44/08/562744408.db2.gz VCAWQPVISZKOIS-GDLZYMKVSA-N 1 0 605.787 6.007 1 0 KKAFRO CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2C1=O ZINC000084617418 562744877 /nfs/dbraw/zinc/74/48/77/562744877.db2.gz FOKFZUQDVUMTPR-SSEXGKCCSA-N 1 0 575.109 5.332 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2)n1 ZINC000084618031 562745001 /nfs/dbraw/zinc/74/50/01/562745001.db2.gz UBXRKHNWPBAFAR-IZZNHLLZSA-N 1 0 541.086 6.332 1 0 KKAFRO O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000084618112 562745050 /nfs/dbraw/zinc/74/50/50/562745050.db2.gz VICOCSRCCXPWRK-JDXGNMNLSA-N 1 0 556.707 5.300 1 0 KKAFRO O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc(C3=[NH+]CCN3)cc2)CC1 ZINC000084618514 562745097 /nfs/dbraw/zinc/74/50/97/562745097.db2.gz LJVFUNKIIQVDNX-PMERELPUSA-N 1 0 625.622 5.503 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084632499 562745573 /nfs/dbraw/zinc/74/55/73/562745573.db2.gz RVYTZEYREJXPSV-UHFFFAOYSA-N 1 0 594.583 8.490 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(F)ccc2Cl)n1 ZINC000084635286 562746145 /nfs/dbraw/zinc/74/61/45/562746145.db2.gz NZCXBQMJNJEBOM-BJKOFHAPSA-N 1 0 559.076 6.472 1 0 KKAFRO Nc1ncc(-c2cnn(CCC[N@@H+]3CC[C@@H](O)C3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c21 ZINC000084635538 562746177 /nfs/dbraw/zinc/74/61/77/562746177.db2.gz OASNOJDJXITQNB-XMMPIXPASA-N 1 0 571.682 5.649 1 0 KKAFRO C[C@@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654622 562747301 /nfs/dbraw/zinc/74/73/01/562747301.db2.gz KPYFHKXGOZSVEX-GOSISDBHSA-N 1 0 534.582 6.317 1 0 KKAFRO COc1c(C(C)(C)C)cc(C(=O)NC[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084669046 562747855 /nfs/dbraw/zinc/74/78/55/562747855.db2.gz GQBISTGDMBIUFI-MHZLTWQESA-N 1 0 618.853 9.013 1 0 KKAFRO CNC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000084671916 562748683 /nfs/dbraw/zinc/74/86/83/562748683.db2.gz PWTAINSHJVUOOY-UHFFFAOYSA-N 1 0 651.739 6.591 1 0 KKAFRO CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084690059 562749467 /nfs/dbraw/zinc/74/94/67/562749467.db2.gz IDTHBOAJLCSPNU-XFAFFCHDSA-N 1 0 620.782 6.180 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000084690649 562749720 /nfs/dbraw/zinc/74/97/20/562749720.db2.gz HLDXKIWINKORMJ-XFAFFCHDSA-N 1 0 618.766 6.249 1 0 KKAFRO C[C@@H](Oc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712425 562750778 /nfs/dbraw/zinc/75/07/78/562750778.db2.gz GWVVKACJTNKJAO-QGZVFWFLSA-N 1 0 535.570 5.712 1 0 KKAFRO O=C(Nc1ccc(-c2cc(NC(=O)c3ccc(OCC[NH+]4CCCC4)cc3)n[nH]2)cc1)Oc1ccccc1 ZINC000084729313 562751473 /nfs/dbraw/zinc/75/14/73/562751473.db2.gz COAWOLGBXJWLNS-UHFFFAOYSA-N 1 0 511.582 5.415 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccccc3)C2=O)c1 ZINC000084757242 562752394 /nfs/dbraw/zinc/75/23/94/562752394.db2.gz QSMLEYYCYZLPGW-UHFFFAOYSA-N 1 0 590.688 5.383 1 0 KKAFRO CN1CC[NH+](CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000084757732 562752480 /nfs/dbraw/zinc/75/24/80/562752480.db2.gz FYUZCRBDIVYHQW-UHFFFAOYSA-N 1 0 670.078 7.325 1 0 KKAFRO COc1cc(CNC[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758694 562752724 /nfs/dbraw/zinc/75/27/24/562752724.db2.gz YHGLBPUDIFJMHI-DEOSSOPVSA-N 1 0 552.706 6.795 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084759223 562752860 /nfs/dbraw/zinc/75/28/60/562752860.db2.gz LFJIXCYCPAPDRN-ZKMPZPQNSA-N 1 0 542.074 5.646 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCC1)CC2 ZINC000088260770 562753517 /nfs/dbraw/zinc/75/35/17/562753517.db2.gz WHKGTFDFEPPMCM-ZEQKJWHPSA-N 1 0 523.526 5.048 1 0 KKAFRO CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]C(C)C)CC2 ZINC000088261106 562753551 /nfs/dbraw/zinc/75/35/51/562753551.db2.gz SKFAEKQGAGCXQZ-BVAGGSTKSA-N 1 0 511.559 5.895 1 0 KKAFRO C[NH+](C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(N)c4)cc3)c2c1 ZINC000089469522 562753642 /nfs/dbraw/zinc/75/36/42/562753642.db2.gz WIVSUJLYDAGUDC-UHFFFAOYSA-N 1 0 620.762 6.363 1 0 in-vitro KKAFRO O=C(CC[C@@H](C(=O)NCc1ccc(F)c(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095540427 562755727 /nfs/dbraw/zinc/75/57/27/562755727.db2.gz JTCVUEJAKWHYTK-IOLWAGDESA-N 1 0 789.871 6.573 1 0 KKAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(NCc3ccc(F)cc3)c2c(=O)[nH]1 ZINC000095541587 562756182 /nfs/dbraw/zinc/75/61/82/562756182.db2.gz BHJQVZCBKBFYOE-HHHXNRCGSA-N 1 0 740.862 5.256 1 0 KKAFRO COc1cc2c(cc1OCCCCN1CC[NH+](CCCCOc3cc4c(cc3OC)C(=O)N3CC(F)(F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000095543164 562757109 /nfs/dbraw/zinc/75/71/09/562757109.db2.gz HXQQUFCRRHDDBX-UIOOFZCWSA-N 1 0 758.814 5.471 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OC(=O)c2ccc(NC(=O)c4ccc(Cl)cc4)cc2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000095544113 562757624 /nfs/dbraw/zinc/75/76/24/562757624.db2.gz QLZHDDUBINFJDY-UHFFFAOYSA-N 1 0 817.814 9.986 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 562757634 /nfs/dbraw/zinc/75/76/34/562757634.db2.gz BZEWCHJVLHXDJE-DHUJRADRSA-N 1 0 628.648 8.243 1 0 KKAFRO COc1ccc(N(CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH2+]CC1 ZINC000095544846 562757950 /nfs/dbraw/zinc/75/79/50/562757950.db2.gz YHQCPXJAOFTJEJ-UHFFFAOYSA-N 1 0 756.416 6.455 1 0 KKAFRO COc1ccc(NS(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH+](CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544868 562757952 /nfs/dbraw/zinc/75/79/52/562757952.db2.gz XMJHQAKLGNJANW-UHFFFAOYSA-N 1 0 773.038 6.595 1 0 KKAFRO C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548855 562759550 /nfs/dbraw/zinc/75/95/50/562759550.db2.gz LSIFUWIWPRWHMV-WHDFOBGLSA-N 1 0 778.844 6.372 1 0 KKAFRO COc1c(=O)c2ccccc2oc1-c1ccc(OCCOCC[NH+](CCOCCOc2ccc(-c3oc4ccccc4c(=O)c3OC)cc2)Cc2ccncc2)cc1 ZINC000095552649 562760749 /nfs/dbraw/zinc/76/07/49/562760749.db2.gz ZJLRALITFUMQNV-UHFFFAOYSA-N 1 0 784.862 7.639 1 0 KKAFRO Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCC([NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000095555651 562761631 /nfs/dbraw/zinc/76/16/31/562761631.db2.gz LPHIWCBAJGQIIF-UHFFFAOYSA-N 1 0 540.513 5.050 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095556875 562761968 /nfs/dbraw/zinc/76/19/68/562761968.db2.gz RLJYSFMWNSHSPL-UHFFFAOYSA-N 1 0 798.429 6.955 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccccc1 ZINC000095557726 562762209 /nfs/dbraw/zinc/76/22/09/562762209.db2.gz MZWIKZYUQSQKFN-HLEXSIARSA-N 1 0 620.812 6.045 1 0 KKAFRO CC[NH+]1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 ZINC000095558214 562762392 /nfs/dbraw/zinc/76/23/92/562762392.db2.gz GVFQHBBRWBJGNU-UHFFFAOYSA-N 1 0 506.607 5.127 1 0 KKAFRO CCCCc1nc(-c2ccc(OC[C@H]3CCC[N@H+](CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558459 562762433 /nfs/dbraw/zinc/76/24/33/562762433.db2.gz JUZYFJPCVFWDLS-DEOSSOPVSA-N 1 0 561.191 9.376 1 0 KKAFRO CCCCc1sc(Nc2ccc(OCCC[NH+](CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560167 562762994 /nfs/dbraw/zinc/76/29/94/562762994.db2.gz FQMIWLRJFCNGAI-UHFFFAOYSA-N 1 0 564.195 9.453 1 0 KKAFRO Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CC[NH2+]CC2)n1 ZINC000095561117 562763274 /nfs/dbraw/zinc/76/32/74/562763274.db2.gz LQPZDDNAQNTKSD-UHFFFAOYSA-N 1 0 590.635 5.881 1 0 KKAFRO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 ZINC000095561297 562763365 /nfs/dbraw/zinc/76/33/65/562763365.db2.gz IDQDYULTECQGBI-UMSFTDKQSA-O 1 0 715.658 6.499 1 0 KKAFRO CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000095562127 562763595 /nfs/dbraw/zinc/76/35/95/562763595.db2.gz NNBNYIRKIWKPQO-DEOSSOPVSA-N 1 0 561.191 9.376 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095562430 562763655 /nfs/dbraw/zinc/76/36/55/562763655.db2.gz QDMBXJOUXMTAIO-UHFFFAOYSA-N 1 0 608.690 6.115 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095564709 562764423 /nfs/dbraw/zinc/76/44/23/562764423.db2.gz HOPYMWLRLXEYET-CDHXPAGGSA-N 1 0 708.816 5.175 1 0 KKAFRO 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 ZINC000095564821 562764474 /nfs/dbraw/zinc/76/44/74/562764474.db2.gz STCNQGKHPZHYJD-KTYLLXISSA-N 1 0 711.826 6.096 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095565379 562764622 /nfs/dbraw/zinc/76/46/22/562764622.db2.gz PEUKOTPXCYQHOA-DOKVQHETSA-N 1 0 690.848 7.657 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566417 562764971 /nfs/dbraw/zinc/76/49/71/562764971.db2.gz WUSLFCKOLHKAFM-BQYLNSIHSA-N 1 0 654.006 6.423 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567070 562765459 /nfs/dbraw/zinc/76/54/59/562765459.db2.gz QMWRRMYICQUONI-PDTNBVABSA-N 1 0 627.807 5.435 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567298 562765672 /nfs/dbraw/zinc/76/56/72/562765672.db2.gz AXAKNSSSVDKLRR-RROHFTNDSA-N 1 0 599.772 6.350 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095567407 562765772 /nfs/dbraw/zinc/76/57/72/562765772.db2.gz RXIJSVCALBVVES-VBEKBXFHSA-N 1 0 706.733 6.722 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567471 562765789 /nfs/dbraw/zinc/76/57/89/562765789.db2.gz DTGXRBNGNVLSQA-ITCLNTCFSA-N 1 0 672.911 7.791 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095567414 562765830 /nfs/dbraw/zinc/76/58/30/562765830.db2.gz RZMKFQMJULYPIX-XUJRGEPCSA-N 1 0 657.833 5.444 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567747 562765998 /nfs/dbraw/zinc/76/59/98/562765998.db2.gz DOYVPIVJJALYPS-KERYWQKISA-N 1 0 604.714 6.011 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095567762 562766085 /nfs/dbraw/zinc/76/60/85/562766085.db2.gz PKQAAOKAAVIVOG-ZLEIESQFSA-N 1 0 694.789 5.246 1 0 KKAFRO 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 ZINC000095567891 562766158 /nfs/dbraw/zinc/76/61/58/562766158.db2.gz QDRBVCQGVAHXBS-TZNXZYKKSA-N 1 0 641.813 5.392 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567975 562766251 /nfs/dbraw/zinc/76/62/51/562766251.db2.gz RBDGKEGTWTXSMS-PHVLTXCSSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568181 562766393 /nfs/dbraw/zinc/76/63/93/562766393.db2.gz GQVRJEGSXSCMGQ-SNCSJZQCSA-N 1 0 650.780 5.517 1 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095568370 562766590 /nfs/dbraw/zinc/76/65/90/562766590.db2.gz WFUNTFJZTRFJFT-BBACVFHCSA-N 1 0 662.026 6.467 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568403 562766609 /nfs/dbraw/zinc/76/66/09/562766609.db2.gz JQAVPWYOCCRIFQ-RHDOBMPUSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095568534 562766756 /nfs/dbraw/zinc/76/67/56/562766756.db2.gz CDSRJXSQDFLFIY-GJCZEXATSA-N 1 0 583.773 6.225 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568674 562766780 /nfs/dbraw/zinc/76/67/80/562766780.db2.gz HTBVGGFTFZKUKZ-VCEFOFBQSA-N 1 0 651.635 5.947 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568844 562766920 /nfs/dbraw/zinc/76/69/20/562766920.db2.gz JQXCVRFSCSGTFT-MWXNICTNSA-N 1 0 634.626 5.384 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569000 562767075 /nfs/dbraw/zinc/76/70/75/562767075.db2.gz AYTPHXXENYRUGZ-ZYADHFCISA-N 1 0 646.027 6.761 3 0 KKAFRO FC(F)(F)c1cccc(C[C@H]2C[N@H+](Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569032 562767116 /nfs/dbraw/zinc/76/71/16/562767116.db2.gz OFGKYXXVDCFLBX-NDEPHWFRSA-N 1 0 541.444 8.777 3 0 KKAFRO C[NH2+]C1CCN([C@H](Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3c(c2Cl)c(F)ccc3F)CC1 ZINC000095569472 562767467 /nfs/dbraw/zinc/76/74/67/562767467.db2.gz RUOUXRFGKIUTHP-HSZRJFAPSA-N 1 0 526.052 6.373 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095569600 562767524 /nfs/dbraw/zinc/76/75/24/562767524.db2.gz VEYXNSARLJIJRR-GLBCCIBASA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569899 562767750 /nfs/dbraw/zinc/76/77/50/562767750.db2.gz RIKKTKCVINKHQI-SGHJWQDXSA-N 1 0 667.556 6.937 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569914 562767769 /nfs/dbraw/zinc/76/77/69/562767769.db2.gz HMCLAGFKTYIJCB-PYAKLNENSA-N 1 0 648.726 6.784 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570164 562767996 /nfs/dbraw/zinc/76/79/96/562767996.db2.gz IXNRSUPNSZLJQC-VUHQHAHBSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570623 562768335 /nfs/dbraw/zinc/76/83/35/562768335.db2.gz XOJDVVMUWTXSDO-UXVOWUFOSA-N 1 0 670.855 5.256 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570783 562768490 /nfs/dbraw/zinc/76/84/90/562768490.db2.gz UEDLRIRBQUSIHX-LPBFERMMSA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095571082 562768759 /nfs/dbraw/zinc/76/87/59/562768759.db2.gz SWHQDKJXWQFGPY-KVJLEPHUSA-N 1 0 643.568 5.647 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571106 562768793 /nfs/dbraw/zinc/76/87/93/562768793.db2.gz KPNIWBUOMWGGPJ-XNSHOJTPSA-N 1 0 698.692 6.455 1 0 KKAFRO 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 ZINC000095571358 562768998 /nfs/dbraw/zinc/76/89/98/562768998.db2.gz NGQWRAJVXVPGQM-BCWKHWSNSA-N 1 0 668.770 5.656 1 0 KKAFRO O=C([O-])[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095571999 562769300 /nfs/dbraw/zinc/76/93/00/562769300.db2.gz KCLONPRRKHVPLU-VWLOTQADSA-N 1 0 525.904 5.898 1 0 KKAFRO COCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1F)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572682 562769459 /nfs/dbraw/zinc/76/94/59/562769459.db2.gz IVHJMOJHRRFXHT-KKUQBAQOSA-N 1 0 596.769 5.004 1 0 KKAFRO CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095573999 562769845 /nfs/dbraw/zinc/76/98/45/562769845.db2.gz BTSCNDCMLRNJTB-KZNIJNHCSA-N 1 0 606.833 5.643 1 0 KKAFRO COc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)c1OC ZINC000095574305 562769933 /nfs/dbraw/zinc/76/99/33/562769933.db2.gz AMBLFDLOEOETKY-UHFFFAOYSA-N 1 0 591.748 8.809 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095575139 562770207 /nfs/dbraw/zinc/77/02/07/562770207.db2.gz YYSCTYIWGJPHIQ-OUDZLNJNSA-N 1 0 537.059 6.251 1 0 KKAFRO CCOC(=O)[C@H](CC[NH+](C)C)NC(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095575911 562770489 /nfs/dbraw/zinc/77/04/89/562770489.db2.gz MUPBWYLCLLKSQE-MHZLTWQESA-N 1 0 600.181 5.655 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577954 562771114 /nfs/dbraw/zinc/77/11/14/562771114.db2.gz JQVPXABUZCLODH-DBIYYAQASA-N 1 0 534.741 5.256 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)ccc2OC(C)=O)c1 ZINC000095584230 562773221 /nfs/dbraw/zinc/77/32/21/562773221.db2.gz LAEBNTZDROUIGG-UHFFFAOYSA-N 1 0 556.615 5.428 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)C2CCCCC2)c1 ZINC000095586253 562773892 /nfs/dbraw/zinc/77/38/92/562773892.db2.gz UMVMBZYZKGIBNZ-NRSKXHDUSA-N 1 0 521.746 5.209 1 0 KKAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCC[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000095586482 562773930 /nfs/dbraw/zinc/77/39/30/562773930.db2.gz JBHCVRFFLNUTIW-DEOSSOPVSA-N 1 0 578.493 5.110 1 0 KKAFRO CCCCc1c(Cl)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095586489 562773982 /nfs/dbraw/zinc/77/39/82/562773982.db2.gz DBEHFGOFSLRSJD-UHFFFAOYSA-N 1 0 628.164 6.562 1 0 KKAFRO O=C(C1CC1)N1CCC[C@@H](Nc2cc(-n3c4ccc(O)cc4nc3-c3ccc4ccccc4c3)cc[nH+]2)C1 ZINC000095587636 562774370 /nfs/dbraw/zinc/77/43/70/562774370.db2.gz ROGYDKSLJQXHRH-XMMPIXPASA-N 1 0 503.606 5.759 1 0 KKAFRO c1ccc(-c2nc(-c3ccccc3)n(CCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095587746 562774400 /nfs/dbraw/zinc/77/44/00/562774400.db2.gz AUYOBRGGEYPRJO-UHFFFAOYSA-N 1 0 576.788 9.984 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCC4)c(N)[nH+]3)nn2)cc1 ZINC000095589049 562774824 /nfs/dbraw/zinc/77/48/24/562774824.db2.gz XOZVNTZRTSLDDF-UHFFFAOYSA-N 1 0 505.711 5.290 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095589166 562774896 /nfs/dbraw/zinc/77/48/96/562774896.db2.gz GJCIZLCOLGPOTH-VTRXWXBFSA-N 1 0 515.694 5.001 1 0 KKAFRO COc1cc(N2Cc3ccc(Sc4ccc(F)c(Cl)c4)nc3C2=O)ccc1OCC[NH+]1CCCC1 ZINC000095591141 562775489 /nfs/dbraw/zinc/77/54/89/562775489.db2.gz GERNDJBNTABEKN-UHFFFAOYSA-N 1 0 514.022 5.669 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CC[N@@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596262 562776907 /nfs/dbraw/zinc/77/69/07/562776907.db2.gz WFDZHDAVQXLZFZ-NRFANRHFSA-N 1 0 518.610 5.118 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCC[C@H]4CCCC[NH2+]4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596283 562776915 /nfs/dbraw/zinc/77/69/15/562776915.db2.gz QLDCMOPBHQHYSP-RUZDIDTESA-N 1 0 532.637 5.699 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C4CCCCC4)c(C)c3oc2=O)ccc1O ZINC000095596980 562777103 /nfs/dbraw/zinc/77/71/03/562777103.db2.gz MZUZTVIYYMGLNB-UHFFFAOYSA-N 1 0 518.654 6.259 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000095599366 562777987 /nfs/dbraw/zinc/77/79/87/562777987.db2.gz BLXBKGPBZTWPNA-AREMUKBSSA-N 1 0 541.545 6.003 3 0 KKAFRO 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(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095599392 562778061 /nfs/dbraw/zinc/77/80/61/562778061.db2.gz ZGZURALGAMDSDO-FBTROWELSA-N 1 0 690.848 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599477 562778129 /nfs/dbraw/zinc/77/81/29/562778129.db2.gz ZKPAWGOFKUDAFA-BEXWAKDESA-N 1 0 685.788 6.672 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095600510 562778961 /nfs/dbraw/zinc/77/89/61/562778961.db2.gz OCOAZZWZFVYNQI-SUCLBKFRSA-N 1 0 670.678 7.173 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095600538 562778966 /nfs/dbraw/zinc/77/89/66/562778966.db2.gz OCOAZZWZFVYNQI-FXRKCPOXSA-N 1 0 670.678 7.173 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095600613 562779028 /nfs/dbraw/zinc/77/90/28/562779028.db2.gz HBVPERRGRWZCML-MTCUJEMASA-N 1 0 590.765 5.841 1 0 KKAFRO 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 ZINC000095600634 562779068 /nfs/dbraw/zinc/77/90/68/562779068.db2.gz ZBBNPLMVFVREHD-FCSDHKMCSA-N 1 0 719.867 6.742 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600726 562779172 /nfs/dbraw/zinc/77/91/72/562779172.db2.gz VXNFDAPCMDSUMH-GTKRZRNESA-N 1 0 710.070 7.053 3 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600954 562779367 /nfs/dbraw/zinc/77/93/67/562779367.db2.gz UQRVVYXDOOLUAO-QZCKSCMDSA-N 1 0 723.830 6.573 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095601248 562779478 /nfs/dbraw/zinc/77/94/78/562779478.db2.gz DICSNASCOVLQDJ-JALBGMRZSA-N 1 0 664.819 6.406 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095602283 562779983 /nfs/dbraw/zinc/77/99/83/562779983.db2.gz JUEHVKXRGUAEIX-VXRITMHMSA-N 1 0 753.690 8.584 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095602748 562780169 /nfs/dbraw/zinc/78/01/69/562780169.db2.gz KTOLAWMRFLMANX-FCSDHKMCSA-N 1 0 683.812 6.814 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095603115 562780352 /nfs/dbraw/zinc/78/03/52/562780352.db2.gz MKMSHMRQNRVEBK-BUEREQSYSA-N 1 0 584.639 5.702 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000095604588 562781075 /nfs/dbraw/zinc/78/10/75/562781075.db2.gz MSYZRYFFLKTVNU-VWLOTQADSA-N 1 0 527.974 6.509 3 0 KKAFRO 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 ZINC000095604573 562781111 /nfs/dbraw/zinc/78/11/11/562781111.db2.gz ZBBNPLMVFVREHD-JCLAXVLHSA-N 1 0 719.867 6.742 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095604642 562781136 /nfs/dbraw/zinc/78/11/36/562781136.db2.gz TWIGAEAIANFZGS-JVAFGIKQSA-N 1 0 602.629 5.841 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095604895 562781265 /nfs/dbraw/zinc/78/12/65/562781265.db2.gz RPQNKPQYAVBHIP-BTHRYZMCSA-N 1 0 630.830 6.621 1 0 KKAFRO COc1c(Br)cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000095606442 562782092 /nfs/dbraw/zinc/78/20/92/562782092.db2.gz LCMYTAQFJIXBCQ-HKBQPEDESA-N 1 0 738.348 7.220 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCCc3ccccc3[C@H]2[NH3+])CC1 ZINC000095607677 562782995 /nfs/dbraw/zinc/78/29/95/562782995.db2.gz ORPYCWJPNJKZIA-DCMFLLSESA-N 1 0 635.293 6.124 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)cc3)C(=O)O[C@@]21C ZINC000095607840 562783179 /nfs/dbraw/zinc/78/31/79/562783179.db2.gz VGNZBBDFUAPGMA-RFAGPKTGSA-N 1 0 718.904 5.313 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608460 562783562 /nfs/dbraw/zinc/78/35/62/562783562.db2.gz HTOJUIVQXWRKOG-WBCKFURZSA-N 1 0 773.935 5.413 1 0 KKAFRO CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095614606 562786753 /nfs/dbraw/zinc/78/67/53/562786753.db2.gz OARZXNSLQPJZNK-QKCPXGJFSA-N 1 0 820.981 5.291 1 0 KKAFRO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000095614915 562786947 /nfs/dbraw/zinc/78/69/47/562786947.db2.gz DJYQLAOOBVDRBM-KGWYRFHHSA-N 1 0 743.827 5.653 1 0 KKAFRO COc1cc2c(cc1OCCCCCN1CC[NH+](CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000095615984 562787709 /nfs/dbraw/zinc/78/77/09/562787709.db2.gz KMALZPASESRBSO-KRCBVYEFSA-N 1 0 750.888 5.657 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2ccccc2C1=O ZINC000095661327 562788052 /nfs/dbraw/zinc/78/80/52/562788052.db2.gz MEBNTFIGGVDNJI-OVMXQCPESA-N 1 0 544.692 5.005 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000095661087 562788080 /nfs/dbraw/zinc/78/80/80/562788080.db2.gz XKRZACQUEFCCIM-DQCZWYHMSA-N 1 0 572.731 5.555 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666110 562788194 /nfs/dbraw/zinc/78/81/94/562788194.db2.gz DXNHWVNJBJSZGC-ZTNZZFSWSA-N 1 0 541.692 5.041 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095754514 562788921 /nfs/dbraw/zinc/78/89/21/562788921.db2.gz DOYVPIVJJALYPS-BXOOBUKZSA-N 1 0 604.714 6.011 1 0 KKAFRO 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 ZINC000095773325 562789038 /nfs/dbraw/zinc/78/90/38/562789038.db2.gz XGMQKVJTWVADHD-NUNJUMJCSA-N 1 0 714.826 7.286 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809964 562789231 /nfs/dbraw/zinc/78/92/31/562789231.db2.gz AOGINIYPPPQZNW-VUHQHAHBSA-N 1 0 702.856 5.546 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095834396 562789401 /nfs/dbraw/zinc/78/94/01/562789401.db2.gz GQPLODGYDYCVNT-FNFPNEPISA-N 1 0 650.625 5.084 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095850749 562789567 /nfs/dbraw/zinc/78/95/67/562789567.db2.gz ZBSMIXMEGWTGMY-XIWHWFKQSA-N 1 0 583.773 6.225 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869149 562789963 /nfs/dbraw/zinc/78/99/63/562789963.db2.gz RZBAHHBRQVWZMS-KXLVQTRWSA-N 1 0 617.790 7.128 1 0 KKAFRO CC(C)N1C[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872385 562790124 /nfs/dbraw/zinc/79/01/24/562790124.db2.gz QPFCFMVMWJRMPG-MHZLTWQESA-N 1 0 536.632 5.528 1 0 KKAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169885 562790867 /nfs/dbraw/zinc/79/08/67/562790867.db2.gz HNOXCOFDLMQHTF-UHFFFAOYSA-N 1 0 570.591 5.210 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(N4CC[NH+](C(C)C)CC4)cc3)c3nccnc23)c1Cl ZINC000096173390 562791409 /nfs/dbraw/zinc/79/14/09/562791409.db2.gz UKZCUKKNLORBKQ-UHFFFAOYSA-N 1 0 580.516 6.404 1 0 KKAFRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174012 562791575 /nfs/dbraw/zinc/79/15/75/562791575.db2.gz SZTWINYCQZKHJN-QHCPKHFHSA-N 1 0 507.642 5.134 1 0 KKAFRO Clc1ccc2[nH]c(CC[NH2+]Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)nc2c1 ZINC000096174138 562791749 /nfs/dbraw/zinc/79/17/49/562791749.db2.gz HIMCWBMLZSYSQQ-UHFFFAOYSA-N 1 0 519.012 5.915 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CC[NH+](C(C)C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175749 562792000 /nfs/dbraw/zinc/79/20/00/562792000.db2.gz QDOWEFQTJKHWAS-UHFFFAOYSA-N 1 0 659.857 6.595 1 0 KKAFRO CC[N@@H+]1CC[C@H](c2ccc(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)C1 ZINC000096177931 562792448 /nfs/dbraw/zinc/79/24/48/562792448.db2.gz FWJVMXXJENXGCP-FQEVSTJZSA-N 1 0 519.675 5.140 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)C2 ZINC000096177896 562792452 /nfs/dbraw/zinc/79/24/52/562792452.db2.gz OXHQSLVSULVZQB-GDLZYMKVSA-N 1 0 710.301 5.628 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177913 562792462 /nfs/dbraw/zinc/79/24/62/562792462.db2.gz AFTBNZZMNUUEFO-UHFFFAOYSA-N 1 0 591.782 6.235 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](C[C@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177928 562792464 /nfs/dbraw/zinc/79/24/64/562792464.db2.gz KURNKEVLTNXFLU-NDEPHWFRSA-N 1 0 689.805 6.529 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH+](CCO)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177942 562792507 /nfs/dbraw/zinc/79/25/07/562792507.db2.gz WVFWRJRAJIAJMJ-UHFFFAOYSA-N 1 0 620.820 6.203 1 0 KKAFRO CC[N@@H+]1CC[C@@H](c2ccc(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)C1 ZINC000096177932 562792542 /nfs/dbraw/zinc/79/25/42/562792542.db2.gz FWJVMXXJENXGCP-HXUWFJFHSA-N 1 0 519.675 5.140 1 0 KKAFRO CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)[nH]nc2s1)c1ccccc1 ZINC000096258112 562792820 /nfs/dbraw/zinc/79/28/20/562792820.db2.gz SWYGYHUKYVHTHP-UHFFFAOYSA-N 1 0 501.656 5.528 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@@H]([NH2+]CCCCc2ccccc2)c2ccccc2)c1Cl ZINC000096269549 562793002 /nfs/dbraw/zinc/79/30/02/562793002.db2.gz UZZVALJVPJZKDU-RUZDIDTESA-N 1 0 506.481 6.920 1 0 KKAFRO CC[NH+](CC)CCCc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269785 562793036 /nfs/dbraw/zinc/79/30/36/562793036.db2.gz NOAGQIOKLMWKGM-UHFFFAOYSA-N 1 0 704.838 7.812 1 0 KKAFRO CC[NH+](CC)CCCCc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269786 562793041 /nfs/dbraw/zinc/79/30/41/562793041.db2.gz XNVHCNKXIHKJHK-UHFFFAOYSA-N 1 0 718.865 8.202 1 0 KKAFRO CN(CC[NH+](C)C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269798 562793052 /nfs/dbraw/zinc/79/30/52/562793052.db2.gz RNJYCRPQQBPATH-UHFFFAOYSA-N 1 0 705.826 6.531 1 0 KKAFRO C[C@@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270065 562793121 /nfs/dbraw/zinc/79/31/21/562793121.db2.gz RKVRONUETMYAFM-HSZRJFAPSA-N 1 0 600.691 6.619 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)[nH]n3)cc2)CC1 ZINC000096270658 562793325 /nfs/dbraw/zinc/79/33/25/562793325.db2.gz TULDPDLFHDYJMU-UHFFFAOYSA-N 1 0 556.671 5.006 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271288 562793753 /nfs/dbraw/zinc/79/37/53/562793753.db2.gz DQMOTIONARYROG-UHFFFAOYSA-N 1 0 654.299 8.816 1 0 KKAFRO CC[NH+](CC)Cc1ccc2[nH]c(-c3n[nH]cc3Nc3cc(Cl)nc(Sc4ccc(NC(=O)C5CC5)cc4)n3)nc2c1 ZINC000096271626 562793851 /nfs/dbraw/zinc/79/38/51/562793851.db2.gz CXKZYGHFQYYGMN-UHFFFAOYSA-N 1 0 588.141 6.482 1 0 KKAFRO Cc1cc(=O)oc2cc(OCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271838 562793954 /nfs/dbraw/zinc/79/39/54/562793954.db2.gz VRTZOHZVMJKYNS-UHFFFAOYSA-N 1 0 582.745 5.724 1 0 KKAFRO O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cc32)cc1 ZINC000096272622 562794138 /nfs/dbraw/zinc/79/41/38/562794138.db2.gz IVIDJNDYMLDNQO-UHFFFAOYSA-N 1 0 576.701 7.053 1 0 KKAFRO CC[NH+]1CCC(c2cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272776 562794191 /nfs/dbraw/zinc/79/41/91/562794191.db2.gz XQCYJMDRMXBJIP-UHFFFAOYSA-N 1 0 565.784 6.749 1 0 KKAFRO CC[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096273054 562794383 /nfs/dbraw/zinc/79/43/83/562794383.db2.gz RSBGPRGRBPDFBV-IBGZPJMESA-N 1 0 504.393 6.174 1 0 KKAFRO CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284379 562795118 /nfs/dbraw/zinc/79/51/18/562795118.db2.gz BKWGSIZDACKFHE-PMERELPUSA-N 1 0 537.708 5.622 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285335 562795488 /nfs/dbraw/zinc/79/54/88/562795488.db2.gz LTECMHSUEOHWDT-BWKNWUBXSA-N 1 0 526.125 5.212 1 0 KKAFRO Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285364 562795501 /nfs/dbraw/zinc/79/55/01/562795501.db2.gz WZRAMHXCXACTHM-BTYSJIOQSA-N 1 0 546.760 5.186 1 0 KKAFRO CCCN1C[C@@H](c2ccccc2)N(C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285354 562795541 /nfs/dbraw/zinc/79/55/41/562795541.db2.gz DAQIALJXQJYJBM-OFVILXPXSA-N 1 0 526.125 5.214 1 0 KKAFRO Cc1cc(F)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285357 562795545 /nfs/dbraw/zinc/79/55/45/562795545.db2.gz RABMHVAUKSATIA-PZGXJGMVSA-N 1 0 564.750 5.325 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285382 562795574 /nfs/dbraw/zinc/79/55/74/562795574.db2.gz COOGUPBOWLTOIX-OFVILXPXSA-N 1 0 540.152 5.602 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285397 562795616 /nfs/dbraw/zinc/79/56/16/562795616.db2.gz FPBBMOPREIDYGA-LXFBAYGMSA-N 1 0 566.190 6.136 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285405 562795622 /nfs/dbraw/zinc/79/56/22/562795622.db2.gz DGHNQLRVFQCZFN-CUNXSJBXSA-N 1 0 552.163 5.746 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2Cl)CC1 ZINC000096285410 562795642 /nfs/dbraw/zinc/79/56/42/562795642.db2.gz KOCOTUUHHFPNEF-KMRXNPHXSA-N 1 0 567.178 5.531 1 0 KKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@H](c2c[nH]c4ccccc42)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000096308845 562796454 /nfs/dbraw/zinc/79/64/54/562796454.db2.gz GUYJHASVHZWTMS-WKRVVKTRSA-N 1 0 513.601 5.744 1 0 KKAFRO [NH3+]Cc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 ZINC000096318641 562796559 /nfs/dbraw/zinc/79/65/59/562796559.db2.gz QWSQQNFWDKWSHF-UHFFFAOYSA-N 1 0 530.304 5.743 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)[C@H]3Cc4ccccc4CN3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000096319071 562796604 /nfs/dbraw/zinc/79/66/04/562796604.db2.gz TWSXEPWFFLQDCT-DQRAZHGCSA-N 1 0 614.234 5.052 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccc([S@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903708 562798004 /nfs/dbraw/zinc/79/80/04/562798004.db2.gz ACNHJYRXEIAIIT-GIEABIOQSA-N 1 0 607.647 8.010 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccc([S@@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903709 562798024 /nfs/dbraw/zinc/79/80/24/562798024.db2.gz ACNHJYRXEIAIIT-PWOCEFKDSA-N 1 0 607.647 8.010 1 0 KKAFRO CN(C)C(=O)C1(N2CCCCC2=O)CC[NH+](CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096903720 562798028 /nfs/dbraw/zinc/79/80/28/562798028.db2.gz UHIIZWIJDFXPQG-HHHXNRCGSA-N 1 0 637.652 6.328 1 0 KKAFRO CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903986 562798077 /nfs/dbraw/zinc/79/80/77/562798077.db2.gz QGPWJPTUKNQFRA-GCFSYYHISA-N 1 0 622.776 6.840 1 0 KKAFRO COc1ccc(C[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)cc1OC ZINC000096908071 562799283 /nfs/dbraw/zinc/79/92/83/562799283.db2.gz WBQLVWSPWFMXHC-MIDLQUATSA-N 1 0 585.870 6.341 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908947 562799479 /nfs/dbraw/zinc/79/94/79/562799479.db2.gz PFHJYCUGMCAORC-UHFFFAOYSA-N 1 0 610.784 7.424 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909585 562799600 /nfs/dbraw/zinc/79/96/00/562799600.db2.gz FFMSWJVJSMAVEL-RBISFHTESA-N 1 0 522.089 6.111 1 0 KKAFRO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000096909805 562799761 /nfs/dbraw/zinc/79/97/61/562799761.db2.gz HFZJXDJGOXFFIC-QHCPKHFHSA-N 1 0 501.030 5.715 1 0 KKAFRO CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NC(N)=[NH2+])cc1 ZINC000096915293 562800949 /nfs/dbraw/zinc/80/09/49/562800949.db2.gz KRSQFLXFWNNLMR-CYTLCNBWSA-N 1 0 547.659 5.463 1 0 KKAFRO O=C1c2c(c(Cl)nc3ccccc23)CN1CCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000096922226 562801757 /nfs/dbraw/zinc/80/17/57/562801757.db2.gz KAAVTKNFOZPSIB-UHFFFAOYSA-N 1 0 517.888 6.143 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1F ZINC000096927158 562802604 /nfs/dbraw/zinc/80/26/04/562802604.db2.gz AGIBLTDRWQKHQB-UHFFFAOYSA-N 1 0 711.621 9.814 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c3cc(F)ccc3n2)c1 ZINC000096927164 562802619 /nfs/dbraw/zinc/80/26/19/562802619.db2.gz HUJQXBZJKIRBCV-UHFFFAOYSA-N 1 0 704.774 9.045 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932297 562803358 /nfs/dbraw/zinc/80/33/58/562803358.db2.gz JIRWVSFHXIEANN-UHFFFAOYSA-N 1 0 674.695 8.763 1 0 KKAFRO c1ccc(-c2ccc(/N=c3\ccn(CCC[NH+]4CCCCC4)c4cc(Nc5ccccn5)ccc43)cc2)cc1 ZINC000096932599 562803430 /nfs/dbraw/zinc/80/34/30/562803430.db2.gz IZHYLWDGZNATCU-WIKZRCHHSA-N 1 0 513.689 7.555 1 0 KKAFRO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(CN6CC[NH2+]CC6)o5)cc43)cc2Cl)c1 ZINC000096937289 562804171 /nfs/dbraw/zinc/80/41/71/562804171.db2.gz XVMMZTTYUZMATQ-UHFFFAOYSA-N 1 0 544.030 6.410 1 0 KKAFRO Brc1c2nc(N3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c(Br)c(Br)c1Br ZINC000143543230 562835134 /nfs/dbraw/zinc/83/51/34/562835134.db2.gz LWPRONDFAJLSGK-UHFFFAOYSA-N 1 0 599.991 5.829 1 0 KKAFRO c1ccc2[nH]c(S[C@@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938108 562804423 /nfs/dbraw/zinc/80/44/23/562804423.db2.gz PANZHNDUZIZCQS-SSEXGKCCSA-N 1 0 513.707 7.250 1 0 KKAFRO CC(=O)OCOC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938683 562804571 /nfs/dbraw/zinc/80/45/71/562804571.db2.gz KPPSOZRWSMIREU-UHFFFAOYSA-N 1 0 596.680 5.837 1 0 KKAFRO COc1ccc(CN2CC[NH+](CCCOc3c4ccc(OC)cc4oc(=O)c3-c3ccccc3)CC2)cc1 ZINC000098085296 562805804 /nfs/dbraw/zinc/80/58/04/562805804.db2.gz UUMVOINJJFVQJD-UHFFFAOYSA-N 1 0 514.622 5.064 1 0 KKAFRO CC[NH2+]Cc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1 ZINC000098185378 562805897 /nfs/dbraw/zinc/80/58/97/562805897.db2.gz POCKQQRZFWKGER-UHFFFAOYSA-N 1 0 530.713 5.012 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000098208075 562805948 /nfs/dbraw/zinc/80/59/48/562805948.db2.gz UOVSZRTTWLJPHE-HNXAPSNLSA-N 1 0 619.546 5.691 1 0 in-vitro KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccc(-c3ccccc3)cc2)C1C(=O)OCC ZINC000100037088 562806276 /nfs/dbraw/zinc/80/62/76/562806276.db2.gz XNZCWVGSRAJBGB-SLPYKNDMSA-N 1 0 514.622 6.637 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2cccc(F)c2)C1 ZINC000100076304 562806598 /nfs/dbraw/zinc/80/65/98/562806598.db2.gz YYKDOSVRRGZVAV-RLPLKTQASA-N 1 0 572.729 5.840 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000100675961 562807223 /nfs/dbraw/zinc/80/72/23/562807223.db2.gz VJCWSUDRKYYTKD-NDEPHWFRSA-N 1 0 501.542 8.705 1 0 KKAFRO CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000100760396 562807682 /nfs/dbraw/zinc/80/76/82/562807682.db2.gz ZYJSDERZORMBNJ-VZRBIBDDSA-N 1 0 509.738 7.325 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000100821081 562808102 /nfs/dbraw/zinc/80/81/02/562808102.db2.gz MCLJZDLFPSSHBN-SVLZYFRISA-N 1 0 510.509 7.043 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000100842334 562808200 /nfs/dbraw/zinc/80/82/00/562808200.db2.gz WJWXIAWSIAEAJJ-RJVOLCHMSA-N 1 0 557.181 5.289 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)C[C@@]([NH3+])(C(=O)N2CCCCC2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101086381 562809066 /nfs/dbraw/zinc/80/90/66/562809066.db2.gz WBCFUQRECRQFHU-XYHYBEPMSA-N 1 0 528.537 6.244 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC ZINC000101086228 562809070 /nfs/dbraw/zinc/80/90/70/562809070.db2.gz FEQSGCAJKJDTEE-YHBQERECSA-N 1 0 534.694 5.099 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141164 562809416 /nfs/dbraw/zinc/80/94/16/562809416.db2.gz RCVHDPWYXTVRFR-ASZYYYDVSA-N 1 0 554.488 5.786 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000101161256 562809553 /nfs/dbraw/zinc/80/95/53/562809553.db2.gz SVJJDCWBAXTWLW-NUQORGFXSA-N 1 0 526.508 6.748 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193587 562809885 /nfs/dbraw/zinc/80/98/85/562809885.db2.gz QOMFGNPECFGGMF-JRLXJTRMSA-N 1 0 606.767 6.491 1 0 KKAFRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(F)c(F)c1 ZINC000101338085 562810360 /nfs/dbraw/zinc/81/03/60/562810360.db2.gz RSRHMLHYZXKQPI-JNXJTYLLSA-N 1 0 506.584 5.059 1 0 KKAFRO CC(C)(Cc1ccc[nH]1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101406586 562810574 /nfs/dbraw/zinc/81/05/74/562810574.db2.gz GXGSIDYYBHMTRW-YUDQIZAISA-N 1 0 519.649 5.811 1 0 KKAFRO C[C@@H](c1c[nH]c(N)[nH+]1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101460093 562810826 /nfs/dbraw/zinc/81/08/26/562810826.db2.gz LYYMDXNIMMMZLB-LLVKDONJSA-N 1 0 530.386 5.404 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000101525519 562811238 /nfs/dbraw/zinc/81/12/38/562811238.db2.gz BMQGIPHCTZAMMW-YHTXFFTCSA-N 1 0 532.732 6.777 1 0 KKAFRO O=C(OCC1=CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000101645228 562811541 /nfs/dbraw/zinc/81/15/41/562811541.db2.gz ZAZGMTKMFFNBAG-NDEPHWFRSA-N 1 0 522.645 5.231 1 0 KKAFRO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696333 562811861 /nfs/dbraw/zinc/81/18/61/562811861.db2.gz QKYZJVXMIUJBOC-HXUWFJFHSA-N 1 0 569.683 5.372 1 0 KKAFRO COc1cc(OC(=O)[C@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102221131 562812946 /nfs/dbraw/zinc/81/29/46/562812946.db2.gz OVPVKROOCINTRG-AGJYPBCPSA-N 1 0 615.720 5.299 1 0 KKAFRO COc1cc(CCC(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806991 562813309 /nfs/dbraw/zinc/81/33/09/562813309.db2.gz JXCYICKXOWATCA-HDDLTCNGSA-N 1 0 643.774 5.625 1 0 KKAFRO Cc1nnc(C2CC2)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000102810395 562813373 /nfs/dbraw/zinc/81/33/73/562813373.db2.gz OQPPVJOMNLVBLC-QUMGSSFMSA-N 1 0 511.661 5.705 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844644 562813419 /nfs/dbraw/zinc/81/34/19/562813419.db2.gz YXRDNZPSJLPOPW-LGKQTMLJSA-N 1 0 505.751 5.874 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103103035 562814318 /nfs/dbraw/zinc/81/43/18/562814318.db2.gz GYWUGKYGQVCSEZ-JWDWKAQJSA-N 1 0 641.758 5.706 1 0 KKAFRO Brc1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103178812 562815194 /nfs/dbraw/zinc/81/51/94/562815194.db2.gz IDFRYPHILJWNFY-UHFFFAOYSA-N 1 0 516.490 5.413 1 0 KKAFRO CCN(C(=O)NCc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103196172 562815870 /nfs/dbraw/zinc/81/58/70/562815870.db2.gz QNNMDPWUCCMRER-LJAQVGFWSA-N 1 0 562.780 5.177 1 0 KKAFRO CCCOc1ccc(CN2CC[NH+](CCCOc3c4ccc(OC)cc4oc(=O)c3-c3ccccc3)CC2)cc1 ZINC000103198002 562815939 /nfs/dbraw/zinc/81/59/39/562815939.db2.gz LWSNVLCQDVTLTC-UHFFFAOYSA-N 1 0 542.676 5.844 1 0 KKAFRO CCCC[NH+](CCCC)CCn1c2ccccc2c2c1-c1cc(C(C)C)ccc1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]21 ZINC000103224874 562817615 /nfs/dbraw/zinc/81/76/15/562817615.db2.gz IFNDWOLQNNOOHV-FKKHGFIMSA-N 1 0 556.835 9.052 1 0 KKAFRO NC(=O)[C@]1(c2ccc(C(F)(F)F)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225808 562817798 /nfs/dbraw/zinc/81/77/98/562817798.db2.gz BPUFWGCLVZVQFP-JSCPRHNGSA-N 1 0 534.409 6.547 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CCN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1 ZINC000103226394 562817818 /nfs/dbraw/zinc/81/78/18/562817818.db2.gz INFBWUAALLMHAI-UHFFFAOYSA-N 1 0 566.668 8.151 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227180 562817877 /nfs/dbraw/zinc/81/78/77/562817877.db2.gz KLDQNAOVPPWNBT-UUROJUAVSA-N 1 0 541.731 6.168 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3cc(OCC[NH+](C)C)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228647 562818001 /nfs/dbraw/zinc/81/80/01/562818001.db2.gz COAXLPKCRYANBC-UHFFFAOYSA-N 1 0 521.614 5.475 1 0 KKAFRO NC(=O)C[C@]1(Cc2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229881 562818088 /nfs/dbraw/zinc/81/80/88/562818088.db2.gz UTHLEDHUMJNQMN-ISRMLTCMSA-N 1 0 511.468 6.953 1 0 KKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000103233592 562818457 /nfs/dbraw/zinc/81/84/57/562818457.db2.gz PWQRCMJORPPEDM-UHFFFAOYSA-N 1 0 572.631 7.915 1 0 KKAFRO CN(C(=O)c1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2c1)C1CCCCC1 ZINC000103233194 562818482 /nfs/dbraw/zinc/81/84/82/562818482.db2.gz UFXNOQYBARMPKV-WFPVAPATSA-N 1 0 527.684 6.309 1 0 KKAFRO CCN(Cc1ccc(C)cc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234223 562818525 /nfs/dbraw/zinc/81/85/25/562818525.db2.gz YCCWKDGHGCQGDJ-UHFFFAOYSA-N 1 0 581.201 5.391 1 0 KKAFRO CCN(C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000103234249 562818619 /nfs/dbraw/zinc/81/86/19/562818619.db2.gz PZASBFFWOJWAEO-UHFFFAOYSA-N 1 0 553.147 5.087 1 0 KKAFRO C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103236682 562818916 /nfs/dbraw/zinc/81/89/16/562818916.db2.gz HZLKQILBSBUCFK-WMBPSLEXSA-N 1 0 540.592 7.514 1 0 KKAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2o1 ZINC000103247703 562819994 /nfs/dbraw/zinc/81/99/94/562819994.db2.gz ITOQWVVUZABKRD-UHFFFAOYSA-N 1 0 587.528 7.041 1 0 KKAFRO CN1CC[NH+](C2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000103250831 562820272 /nfs/dbraw/zinc/82/02/72/562820272.db2.gz VWZHCBREEQMVBW-UHFFFAOYSA-N 1 0 514.554 6.369 1 0 KKAFRO Cc1ccc(C[NH2+]C(C)(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264912 562821995 /nfs/dbraw/zinc/82/19/95/562821995.db2.gz RQZZKARNFNQHIM-UHFFFAOYSA-N 1 0 563.624 7.543 1 0 KKAFRO Cc1ccc(C[NH2+]CCO)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264910 562822008 /nfs/dbraw/zinc/82/20/08/562822008.db2.gz LOZLQPRSXRODPM-UHFFFAOYSA-N 1 0 551.569 5.737 1 0 KKAFRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264943 562822085 /nfs/dbraw/zinc/82/20/85/562822085.db2.gz NTXAORZHWVUPBL-MKPDMIMOSA-N 1 0 601.673 7.887 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268302 562822685 /nfs/dbraw/zinc/82/26/85/562822685.db2.gz BVBKKSBNHAKHEX-QIKUIUABSA-N 1 0 646.902 5.289 1 0 KKAFRO CCOC(=O)c1sc(-c2ccccc2)nc1N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000103278126 562823316 /nfs/dbraw/zinc/82/33/16/562823316.db2.gz OGWLEJLBUWEXNN-UHFFFAOYSA-N 1 0 527.690 6.324 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000103280298 562823486 /nfs/dbraw/zinc/82/34/86/562823486.db2.gz HDPWKYAOGUUHKO-UMSFTDKQSA-N 1 0 593.768 5.691 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283348 562823671 /nfs/dbraw/zinc/82/36/71/562823671.db2.gz ZYRYGROQEGIXCQ-HIQYAUPDSA-N 1 0 569.931 5.383 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1ccncc1Cl)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283341 562823686 /nfs/dbraw/zinc/82/36/86/562823686.db2.gz IRIWJXZITBMJPY-WXGXSRQYSA-N 1 0 603.388 6.641 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(C)cc1 ZINC000103287574 562823898 /nfs/dbraw/zinc/82/38/98/562823898.db2.gz KIYGHDGSPYFSTP-UMSFTDKQSA-N 1 0 577.769 5.991 1 0 KKAFRO CCOC(=O)[C@@]12C[N@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000105484965 562825313 /nfs/dbraw/zinc/82/53/13/562825313.db2.gz JKJUPHVYTNXPOR-FXCXHTNFSA-N 1 0 571.714 5.452 1 0 KKAFRO CC[NH+](CC)C1CCC(Nc2c3cc(-c4cc(Cl)c(O)c(OC)c4)ccc3ncc2S(C)(=O)=O)CC1 ZINC000114037186 562827084 /nfs/dbraw/zinc/82/70/84/562827084.db2.gz SSKXDIXSHFWGSG-UHFFFAOYSA-N 1 0 532.106 5.738 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037193 562827165 /nfs/dbraw/zinc/82/71/65/562827165.db2.gz GRTLNJODWXNLKX-HXUWFJFHSA-N 1 0 544.055 5.928 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099217 562827653 /nfs/dbraw/zinc/82/76/53/562827653.db2.gz TUPQMRFXFANGOP-AREMUKBSSA-N 1 0 522.133 6.444 1 0 KKAFRO COc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100444 562827704 /nfs/dbraw/zinc/82/77/04/562827704.db2.gz CUWXIGJERCHVDB-OAQYLSRUSA-N 1 0 505.030 5.156 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000114101083 562827764 /nfs/dbraw/zinc/82/77/64/562827764.db2.gz ZVFDAHHZJSBMQX-HSZRJFAPSA-N 1 0 510.078 5.879 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3cc(OC)c(OCCN4CC[NH+](C)CC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754209 562828455 /nfs/dbraw/zinc/82/84/55/562828455.db2.gz GKZABRRCVROKDJ-UHFFFAOYSA-N 1 0 594.720 5.290 1 0 KKAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)Nc1ccccc1 ZINC000114979875 562828602 /nfs/dbraw/zinc/82/86/02/562828602.db2.gz LURIDLSLHFGGET-MHZLTWQESA-N 1 0 511.087 5.860 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(NCc2ccccc2)nc1 ZINC000114981793 562828673 /nfs/dbraw/zinc/82/86/73/562828673.db2.gz SJJPDTSVGZKRBU-JGCGQSQUSA-N 1 0 603.188 6.013 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)cc1 ZINC000114981495 562828703 /nfs/dbraw/zinc/82/87/03/562828703.db2.gz SNSSOOWZWMKUDH-AREMUKBSSA-N 1 0 531.505 5.659 1 0 KKAFRO CC(C)[N@H+](C)Cc1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116055705 562829232 /nfs/dbraw/zinc/82/92/32/562829232.db2.gz DIEHSSBQFAFZHG-UHFFFAOYSA-N 1 0 615.775 5.806 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1C[NH3+] ZINC000118790357 562830569 /nfs/dbraw/zinc/83/05/69/562830569.db2.gz ZDRUXXFMVAAUQM-LDLUVENISA-N 1 0 508.062 5.729 1 0 KKAFRO C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000137889066 562831641 /nfs/dbraw/zinc/83/16/41/562831641.db2.gz PNQUFWFCVXGXBV-CIBFIPCLSA-N 1 0 641.897 5.722 1 0 KKAFRO CC(C)[NH+]1CCC(C(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1 ZINC000138709022 562832166 /nfs/dbraw/zinc/83/21/66/562832166.db2.gz NLHOWBQQPCBEPZ-UHFFFAOYSA-N 1 0 570.591 6.721 1 0 KKAFRO C[N@@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=S)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139667795 562832705 /nfs/dbraw/zinc/83/27/05/562832705.db2.gz SUSUTCJYDCBBIL-QWIPUYGYSA-N 1 0 541.705 5.794 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@H]([NH3+])CC3)s1 ZINC000140429049 562833069 /nfs/dbraw/zinc/83/30/69/562833069.db2.gz IDVJVUGYGZHXPO-JTHBVZDNSA-N 1 0 525.523 5.320 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142281033 562834141 /nfs/dbraw/zinc/83/41/41/562834141.db2.gz DPRHDWBFUWCIKZ-KNQAVFIVSA-N 1 0 511.496 5.012 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000142767811 562834319 /nfs/dbraw/zinc/83/43/19/562834319.db2.gz HFACJDQFDDGCJK-MHZLTWQESA-N 1 0 517.605 5.896 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000142867960 562834336 /nfs/dbraw/zinc/83/43/36/562834336.db2.gz PAIXTATZDODEGZ-HHHXNRCGSA-N 1 0 517.605 5.896 1 0 KKAFRO Clc1cnc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn12 ZINC000143004867 562834507 /nfs/dbraw/zinc/83/45/07/562834507.db2.gz JGVMJJLMUPHTRV-UHFFFAOYSA-N 1 0 519.012 5.496 1 0 KKAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143094298 562834580 /nfs/dbraw/zinc/83/45/80/562834580.db2.gz NAACULNRHQOKEJ-JOCHJYFZSA-N 1 0 614.150 5.031 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(-c3ccccc3OC)c2)C(C)C)ccc1OC ZINC000143237266 562834826 /nfs/dbraw/zinc/83/48/26/562834826.db2.gz ZXIXVMRSLAFZBL-QPQHGXMVSA-N 1 0 576.734 5.442 1 0 KKAFRO C[NH2+]CCCN(Cc1ccccc1)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143513606 562835147 /nfs/dbraw/zinc/83/51/47/562835147.db2.gz YNCPBDAYHAMAKP-UHFFFAOYSA-N 1 0 609.986 6.229 1 0 KKAFRO Brc1c2nc(NCC3CC[NH2+]CC3)[nH]c2c(Br)c(Br)c1Br ZINC000143593090 562835161 /nfs/dbraw/zinc/83/51/61/562835161.db2.gz ACZOWPWWWCOCEG-UHFFFAOYSA-N 1 0 545.899 5.024 1 0 KKAFRO Brc1c2nc(N[C@@H]3CCC[NH2+]CC3)[nH]c2c(Br)c(Br)c1Br ZINC000143593302 562835177 /nfs/dbraw/zinc/83/51/77/562835177.db2.gz VCWJSHIRZBPZSU-ZCFIWIBFSA-N 1 0 545.899 5.167 1 0 KKAFRO [NH3+][C@H]1CC=CC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143597354 562835217 /nfs/dbraw/zinc/83/52/17/562835217.db2.gz PCYIUCLPLHBZKW-NTSWFWBYSA-N 1 0 543.883 5.071 1 0 KKAFRO Brc1c2nc(N[C@H]3COC[C@@H]3[NH+]3CCCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143672422 562835257 /nfs/dbraw/zinc/83/52/57/562835257.db2.gz FAVKUHSIQIXZCN-IUCAKERBSA-N 1 0 601.963 5.278 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745314 562835304 /nfs/dbraw/zinc/83/53/04/562835304.db2.gz CEVVHHOKZMIXGC-CEUYOYMZSA-N 1 0 531.700 6.084 1 0 KKAFRO C[C@@H]1C[N@@H+](Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@]56c5ccccc5NC6=O)ccc34)cc2)C[C@H](C)N1C ZINC000145003383 562836850 /nfs/dbraw/zinc/83/68/50/562836850.db2.gz URVYHEBYZIZVST-LCXZTEIGSA-N 1 0 517.677 5.635 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/C[NH+](C)C ZINC000145220973 562836892 /nfs/dbraw/zinc/83/68/92/562836892.db2.gz LHHLPNVJMCVRGH-YVNNLAQVSA-N 1 0 551.022 5.753 1 0 KKAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145249998 562836945 /nfs/dbraw/zinc/83/69/45/562836945.db2.gz HUUJXNFSUJYWIH-IBGZPJMESA-N 1 0 584.680 5.091 1 0 KKAFRO Cc1nc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)no1 ZINC000145283929 562836952 /nfs/dbraw/zinc/83/69/52/562836952.db2.gz IRGFNBRYIWLUOO-AWNIVKPZSA-N 1 0 502.634 5.363 1 0 KKAFRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145961047 562837859 /nfs/dbraw/zinc/83/78/59/562837859.db2.gz LYNGPWZAZYWOKX-OAHLLOKOSA-N 1 0 575.975 5.256 1 0 KKAFRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146031184 562837963 /nfs/dbraw/zinc/83/79/63/562837963.db2.gz UQSVGDCSKQKNMX-INIZCTEOSA-N 1 0 605.017 5.103 1 0 KKAFRO C#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(OC(=O)CCC)c3)o2)[C@@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146634530 562838713 /nfs/dbraw/zinc/83/87/13/562838713.db2.gz KCZSXVBXYLFHAH-PUAOIOHZSA-N 1 0 542.995 6.979 1 0 KKAFRO C#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)c(Cl)c3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146635944 562838749 /nfs/dbraw/zinc/83/87/49/562838749.db2.gz AJVPAWQNXAAEPF-IVCQMTBJSA-N 1 0 559.450 7.493 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(C(F)(F)F)s2)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000146939601 562838916 /nfs/dbraw/zinc/83/89/16/562838916.db2.gz NEXHUYYIABFLMP-UHFFFAOYSA-N 1 0 622.717 6.899 1 0 KKAFRO CCN(c1cc(-c2ccc(C[NH2+]CC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000147061734 562839114 /nfs/dbraw/zinc/83/91/14/562839114.db2.gz HJEULJQMDQLPSP-UHFFFAOYSA-N 1 0 556.751 5.402 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)N5CCCC5)cc43)cc2)CC1 ZINC000147946768 562839775 /nfs/dbraw/zinc/83/97/75/562839775.db2.gz HUUXJEYKBSKWTM-NDEPHWFRSA-N 1 0 515.683 5.540 1 0 KKAFRO C[NH+](C)CC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc2)CC1 ZINC000147983305 562839805 /nfs/dbraw/zinc/83/98/05/562839805.db2.gz WGEHOPBYUQXTMK-HKBQPEDESA-N 1 0 551.691 5.042 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1noc2c1CCCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000148106595 562840239 /nfs/dbraw/zinc/84/02/39/562840239.db2.gz KXMIOKNXQPHICT-UHFFFAOYSA-N 1 0 581.721 5.501 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148115715 562840271 /nfs/dbraw/zinc/84/02/71/562840271.db2.gz HHOZRAZIULTIFL-FQEVSTJZSA-N 1 0 606.653 5.787 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148140191 562840312 /nfs/dbraw/zinc/84/03/12/562840312.db2.gz KHHDXHKTGMSKIQ-UHFFFAOYSA-N 1 0 613.648 6.346 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148159060 562840367 /nfs/dbraw/zinc/84/03/67/562840367.db2.gz HYNBWGRVGBGDIZ-UHFFFAOYSA-N 1 0 612.682 5.237 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148162673 562840375 /nfs/dbraw/zinc/84/03/75/562840375.db2.gz HGBAMBQUQCBTAG-IBGZPJMESA-N 1 0 610.641 5.132 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148154613 562840379 /nfs/dbraw/zinc/84/03/79/562840379.db2.gz KLYVJISDBIDMGG-UHFFFAOYSA-N 1 0 579.631 5.315 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C(C)=O)c2)n1 ZINC000148439599 562841284 /nfs/dbraw/zinc/84/12/84/562841284.db2.gz TZOHMRKONIXKOT-UHFFFAOYSA-N 1 0 543.546 5.067 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@@H]3C)n1 ZINC000148437485 562841302 /nfs/dbraw/zinc/84/13/02/562841302.db2.gz CTTGDSKEPYUNTA-KRWDZBQOSA-N 1 0 555.601 5.914 1 0 KKAFRO CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148619256 562841548 /nfs/dbraw/zinc/84/15/48/562841548.db2.gz FYBDLDRPZFWUMY-QHCPKHFHSA-N 1 0 501.067 5.407 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000148835655 562841847 /nfs/dbraw/zinc/84/18/47/562841847.db2.gz OQQYUUDNHQHZFJ-DEOSSOPVSA-N 1 0 524.105 5.890 1 0 KKAFRO COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(CC6CC6)CC5)CC4)c4ncnc(N)c34)cc2[nH]1 ZINC000148885212 562841946 /nfs/dbraw/zinc/84/19/46/562841946.db2.gz BJSZKHZJEOKFJO-DIVCQZSQSA-N 1 0 591.764 5.063 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000148916258 562841956 /nfs/dbraw/zinc/84/19/56/562841956.db2.gz YPCHAJDITZHKOA-SANMLTNESA-N 1 0 524.149 5.944 1 0 KKAFRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148939134 562841967 /nfs/dbraw/zinc/84/19/67/562841967.db2.gz GZHUKRDKTDCKQD-NRFANRHFSA-N 1 0 505.030 5.156 1 0 KKAFRO COC(=O)N(C)[C@@H]1[C@H](C)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@@H]1[NH3+] ZINC000149191041 562842464 /nfs/dbraw/zinc/84/24/64/562842464.db2.gz OLIOBBIZJBFLQG-IFRAOVOBSA-N 1 0 541.574 5.029 1 0 KKAFRO COc1ccc(C(OC(=O)[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150556641 562844765 /nfs/dbraw/zinc/84/47/65/562844765.db2.gz NTQAMCUPIBQLDW-VEILRNNESA-N 1 0 701.857 7.626 1 0 KKAFRO O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@H](Cc1ccccc1)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccccc1)C(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000150560179 562844877 /nfs/dbraw/zinc/84/48/77/562844877.db2.gz IKNHFOBVODXQFV-UWXQCODUSA-N 1 0 815.762 6.189 1 0 KKAFRO O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583495 562845662 /nfs/dbraw/zinc/84/56/62/562845662.db2.gz UFNLUDOAYKNDQW-YDYNHKSESA-N 1 0 703.696 8.086 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)[nH+]ccc3c2)c2cccc(OC(F)F)c2)c1 ZINC000150601842 562847270 /nfs/dbraw/zinc/84/72/70/562847270.db2.gz LVKNSMJYNKDZKL-XRKRLSELSA-N 1 0 667.735 6.296 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000150604084 562847530 /nfs/dbraw/zinc/84/75/30/562847530.db2.gz WVEOCIDEMLGQGM-TVZKYXKKSA-N 1 0 667.796 6.516 1 0 KKAFRO C[NH2+]CC[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 ZINC000150604131 562847533 /nfs/dbraw/zinc/84/75/33/562847533.db2.gz VFJGSZLCNCKFER-QSCLJHCWSA-N 1 0 719.978 5.888 1 0 KKAFRO CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@H]1c1cccc(F)c1N1CC[NH+](C(C)(C)C)CC1 ZINC000150606296 562847930 /nfs/dbraw/zinc/84/79/30/562847930.db2.gz CWVIRPPISINNPT-KUFVUHJUSA-N 1 0 706.973 6.596 1 0 KKAFRO CCc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000164252254 562849570 /nfs/dbraw/zinc/84/95/70/562849570.db2.gz RRISOQPBQQGKQY-UHFFFAOYSA-N 1 0 675.886 7.767 1 0 KKAFRO Cn1cc(-c2cccc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)nc(Nc2ccc(C3CC[NH+](C4COC4)CC3)cc2)c1=O ZINC000164282451 562849585 /nfs/dbraw/zinc/84/95/85/562849585.db2.gz ZJKSVBCFIOZPMG-UHFFFAOYSA-N 1 0 651.833 5.405 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CCCC7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000164279992 562849598 /nfs/dbraw/zinc/84/95/98/562849598.db2.gz QCPITHQMZLXOLO-UHFFFAOYSA-N 1 0 642.801 5.107 1 0 KKAFRO C[NH+](C)C[C@H](CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)[C@@H](O)c1ccccc1 ZINC000164752696 562849726 /nfs/dbraw/zinc/84/97/26/562849726.db2.gz FAPXOLFYGWNEHZ-VOJFVSQTSA-N 1 0 640.012 5.936 1 0 KKAFRO CN1CCC([N@H+](C)C[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c2ccccc2)CC1 ZINC000164745636 562849729 /nfs/dbraw/zinc/84/97/29/562849729.db2.gz PWIBKSRNGJCKTO-HNNXBMFYSA-N 1 0 679.093 6.792 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5C[N@@H+]5CCCOCC5)c4)CC3)cn21 ZINC000166567958 562850453 /nfs/dbraw/zinc/85/04/53/562850453.db2.gz ZZQVIKMAVDANAH-RNPORBBMSA-N 1 0 692.792 6.035 1 0 KKAFRO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5cc(Cl)ccn5)[nH]4)CC3)cc2)cc1 ZINC000166788173 562850496 /nfs/dbraw/zinc/85/04/96/562850496.db2.gz XAYQCXQTWXNAEH-UHFFFAOYSA-N 1 0 606.109 6.688 1 0 KKAFRO Fc1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5cnccn5)n[nH]4)CC3)cc2)cc1 ZINC000167140089 562850642 /nfs/dbraw/zinc/85/06/42/562850642.db2.gz WOIBNSMAQNNKOE-UHFFFAOYSA-N 1 0 531.599 5.157 1 0 KKAFRO Brc1cnc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167321643 562850722 /nfs/dbraw/zinc/85/07/22/562850722.db2.gz YUJQWKDHWHVRHF-UHFFFAOYSA-N 1 0 563.463 5.605 1 0 KKAFRO Cc1cccc(-c2nnc(C3C[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)C3)[nH]2)n1 ZINC000167561329 562850949 /nfs/dbraw/zinc/85/09/49/562850949.db2.gz LUGSGIZADRPGGK-UHFFFAOYSA-N 1 0 557.637 5.563 1 0 KKAFRO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[NH+](C)C)cc4)c3)CC2)cs1 ZINC000167945320 562851107 /nfs/dbraw/zinc/85/11/07/562851107.db2.gz XICMKLUOIJBVLJ-WMPKNSHKSA-N 1 0 587.721 5.978 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000167990304 562851217 /nfs/dbraw/zinc/85/12/17/562851217.db2.gz BGTCXGXSKWHLPW-VKZJBHIYSA-N 1 0 542.511 5.889 1 0 KKAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290917 562851801 /nfs/dbraw/zinc/85/18/01/562851801.db2.gz LREBZSFQVNJDOZ-UHIXBXOBSA-N 1 0 547.696 5.251 1 0 KKAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290916 562851816 /nfs/dbraw/zinc/85/18/16/562851816.db2.gz LREBZSFQVNJDOZ-LXNVINCZSA-N 1 0 547.696 5.251 1 0 KKAFRO CN(Cc1ccccc1)C(=S)SC[C@H](O)C[N@H+](C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000169293474 562852091 /nfs/dbraw/zinc/85/20/91/562852091.db2.gz RRXLVZYMIDIHBC-XNMGPUDCSA-N 1 0 562.723 6.658 1 0 KKAFRO CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[NH2+][C@@H](c2ccccc2)C1 ZINC000169293445 562852104 /nfs/dbraw/zinc/85/21/04/562852104.db2.gz MDYPEKYXGSHXAG-PKTNWEFCSA-N 1 0 523.098 6.178 3 0 KKAFRO COc1ccc([C@@H]2[C@H](c3ccccc3)[NH2+][C@@]3(c4ccccc4NC3=O)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297204 562852501 /nfs/dbraw/zinc/85/25/01/562852501.db2.gz SHTVSSZRECVTPJ-KLSCSJJOSA-N 1 0 576.649 5.422 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1CCc1ccccc1 ZINC000169303878 562853259 /nfs/dbraw/zinc/85/32/59/562853259.db2.gz OXHSDKVPVMZMSB-RUZDIDTESA-N 1 0 565.592 5.844 3 0 KKAFRO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310153 562854676 /nfs/dbraw/zinc/85/46/76/562854676.db2.gz UWULGUFSFZJDEY-ISTJGCCRSA-N 1 0 580.685 5.231 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312230 562855311 /nfs/dbraw/zinc/85/53/11/562855311.db2.gz BAFXUENWHNQFKY-YTMVLYRLSA-N 1 0 500.664 6.464 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312229 562855300 /nfs/dbraw/zinc/85/53/00/562855300.db2.gz BAFXUENWHNQFKY-XRKRLSELSA-N 1 0 500.664 6.464 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nn2C)cc1 ZINC000169312770 562855403 /nfs/dbraw/zinc/85/54/03/562855403.db2.gz CMJBNFZQDALATH-UHFFFAOYSA-N 1 0 519.045 6.506 1 0 KKAFRO CC(C)[NH2+]C[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccc(Br)cc2)cc1C(C)(C)C ZINC000169318843 562856110 /nfs/dbraw/zinc/85/61/10/562856110.db2.gz UMRMGUXMTFEJAY-ZUTVHTERSA-N 1 0 502.537 6.952 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Oc4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321602 562856679 /nfs/dbraw/zinc/85/66/79/562856679.db2.gz LHPWDBFTYJAHFI-UHFFFAOYSA-N 1 0 534.635 7.295 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324428 562857329 /nfs/dbraw/zinc/85/73/29/562857329.db2.gz JDRMLVJCKYUDNZ-UHFFFAOYSA-N 1 0 605.827 7.773 1 0 KKAFRO O=C(c1ccc(Cl)c(Cl)c1)C1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000169324950 562857537 /nfs/dbraw/zinc/85/75/37/562857537.db2.gz YOMMMWBVKYAEHI-UHFFFAOYSA-N 1 0 531.936 8.235 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325209 562857598 /nfs/dbraw/zinc/85/75/98/562857598.db2.gz OSSPSHRRZUSXJJ-UHFFFAOYSA-N 1 0 548.775 8.657 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5n4)C3)cc2s1)C1CCCC1 ZINC000169327438 562858082 /nfs/dbraw/zinc/85/80/82/562858082.db2.gz GLZXAHXRGDSSCI-YADHBBJMSA-N 1 0 527.694 6.260 1 0 KKAFRO COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(NC(=O)C4CCCC4)sc3c2)C1 ZINC000169327430 562858097 /nfs/dbraw/zinc/85/80/97/562858097.db2.gz ZWPSILZGFCYEEW-PKTZIBPZSA-N 1 0 556.732 6.874 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2o1)C1CCCC1 ZINC000169327466 562858104 /nfs/dbraw/zinc/85/81/04/562858104.db2.gz RYRGUNCGKZULSR-RPBOFIJWSA-N 1 0 510.638 6.397 1 0 KKAFRO O=C(Nc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ncccc5c4)C3)sc2c1)C1CCCC1 ZINC000169327478 562858109 /nfs/dbraw/zinc/85/81/09/562858109.db2.gz KRNPCYURBFHKDQ-PKTZIBPZSA-N 1 0 527.694 6.260 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5n4)C3)cc2o1)C1CCCC1 ZINC000169327468 562858111 /nfs/dbraw/zinc/85/81/11/562858111.db2.gz LTIMUZYGYOSHAV-YADHBBJMSA-N 1 0 511.626 5.792 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169329371 562858505 /nfs/dbraw/zinc/85/85/05/562858505.db2.gz TYNQIXXVTVDHLT-XFCANUNOSA-N 1 0 548.683 6.263 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334282 562859454 /nfs/dbraw/zinc/85/94/54/562859454.db2.gz NEZXOJFFVXIHRV-XMMPIXPASA-N 1 0 574.993 8.092 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc21 ZINC000169334751 562859508 /nfs/dbraw/zinc/85/95/08/562859508.db2.gz PMHOUYZVFQSMCS-SSEXGKCCSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCCC[NH+](CCCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335664 562859658 /nfs/dbraw/zinc/85/96/58/562859658.db2.gz MPHJMDVXKLISDX-LJAQVGFWSA-N 1 0 566.630 9.169 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335720 562859680 /nfs/dbraw/zinc/85/96/80/562859680.db2.gz XLLJRBQJIQSZID-HHHXNRCGSA-N 1 0 560.374 7.876 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169335999 562859783 /nfs/dbraw/zinc/85/97/83/562859783.db2.gz USZXVIBFNVVPER-BCGVSBSESA-N 1 0 592.624 8.456 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000169338641 562860298 /nfs/dbraw/zinc/86/02/98/562860298.db2.gz JCBJUGDFHYQCQX-JTTXIWGLSA-N 1 0 522.085 5.178 1 0 KKAFRO C[C@@H]([N@@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343637 562861205 /nfs/dbraw/zinc/86/12/05/562861205.db2.gz VWMWQLLSZVYPKC-OYLFLEFRSA-N 1 0 535.542 5.033 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000169346176 562861713 /nfs/dbraw/zinc/86/17/13/562861713.db2.gz HMRHTJCJOXELQX-WOEJVEQOSA-N 1 0 545.878 6.902 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCCC1)C(=O)NC1CCCCC1 ZINC000169346173 562861715 /nfs/dbraw/zinc/86/17/15/562861715.db2.gz GWUWWZOCJQGDBY-HNYBXJCQSA-N 1 0 573.932 7.729 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nc(-c4ccccc4)ns3)c3c2c(Cl)ccc3O)CC1 ZINC000169347471 562861978 /nfs/dbraw/zinc/86/19/78/562861978.db2.gz HSGZCXRUTJNCBT-UHFFFAOYSA-N 1 0 560.167 7.839 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccccc4)o3)c3c2c(Cl)ccc3O)CC1 ZINC000169347473 562861992 /nfs/dbraw/zinc/86/19/92/562861992.db2.gz DBCGTSSVFFASSE-UHFFFAOYSA-N 1 0 544.099 7.371 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3ncc(-c4ccccc4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347477 562861999 /nfs/dbraw/zinc/86/19/99/562861999.db2.gz VFGVHTJXHWDHSW-UHFFFAOYSA-N 1 0 559.179 8.444 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348460 562862246 /nfs/dbraw/zinc/86/22/46/562862246.db2.gz LJKWFLQTKZQPGU-ZQAZVOLISA-N 1 0 626.842 6.306 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N([C@@H](C)CC)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348499 562862281 /nfs/dbraw/zinc/86/22/81/562862281.db2.gz VTJOLGKDSXXCAR-RRURFNPQSA-N 1 0 626.842 6.306 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(C(F)(F)F)ccc3O)CC1 ZINC000169353913 562863622 /nfs/dbraw/zinc/86/36/22/562863622.db2.gz YJEXLDWRVWNACW-UHFFFAOYSA-N 1 0 636.637 8.485 1 0 KKAFRO CC[N@H+](CC[C@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCO1)[C@@H]1C[C@@H]2c3ccccc3C[C@H]12 ZINC000169358097 562863972 /nfs/dbraw/zinc/86/39/72/562863972.db2.gz KSSAHRFJMYPTHU-CEUBKNRQSA-N 1 0 639.620 6.828 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000169361590 562864212 /nfs/dbraw/zinc/86/42/12/562864212.db2.gz PSOLLAWKFQBNIY-IXQHYERASA-N 1 0 655.909 5.707 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362670 562864266 /nfs/dbraw/zinc/86/42/66/562864266.db2.gz GRZGPYMYCGWTKZ-KEKPKEOLSA-N 1 0 536.713 5.421 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169701410 562868070 /nfs/dbraw/zinc/86/80/70/562868070.db2.gz PSABHJAMVJLCQH-JVUXWEBQSA-N 1 0 544.523 5.163 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C5CCOCC5)CC4)cc3Cl)nc1-2 ZINC000169702456 562868357 /nfs/dbraw/zinc/86/83/57/562868357.db2.gz IGMNHWATBCBYNK-UHFFFAOYSA-N 1 0 612.178 5.721 1 0 KKAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NCC[NH+]3CCCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703460 562868758 /nfs/dbraw/zinc/86/87/58/562868758.db2.gz ZDUQSFCEAWVGEI-UHFFFAOYSA-N 1 0 519.653 5.366 1 0 KKAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CC[NH+](C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703462 562868764 /nfs/dbraw/zinc/86/87/64/562868764.db2.gz YPLNPVBNHFCCPP-UHFFFAOYSA-N 1 0 519.653 5.364 1 0 KKAFRO CCc1cn(-c2ccc(C(N)=O)c(NC3CC[NH+](C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703488 562868805 /nfs/dbraw/zinc/86/88/05/562868805.db2.gz OIAGNBRBPDPDQL-UHFFFAOYSA-N 1 0 504.638 5.408 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1cccc(F)c1 ZINC000169704531 562869016 /nfs/dbraw/zinc/86/90/16/562869016.db2.gz LIVRILFSCBVYNA-AREMUKBSSA-N 1 0 555.528 5.723 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1ccccc1 ZINC000169704518 562869036 /nfs/dbraw/zinc/86/90/36/562869036.db2.gz DOLQEXKLZJXWAP-SANMLTNESA-N 1 0 537.538 5.584 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@H]1c1ccccc1 ZINC000169704517 562869039 /nfs/dbraw/zinc/86/90/39/562869039.db2.gz ZDVSZYMXLJPQMR-VWLOTQADSA-N 1 0 561.526 6.874 3 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705468 562869385 /nfs/dbraw/zinc/86/93/85/562869385.db2.gz NRXLUQOFKXODJO-QHCPKHFHSA-N 1 0 546.006 6.089 1 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705465 562869390 /nfs/dbraw/zinc/86/93/90/562869390.db2.gz FGTJSOCKXSMWEJ-JOCHJYFZSA-N 1 0 531.979 6.064 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(CC(F)(F)F)c2c1CCCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000169710803 562870744 /nfs/dbraw/zinc/87/07/44/562870744.db2.gz GISLRHMOZHRLQZ-UHFFFAOYSA-N 1 0 662.761 6.272 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(N3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000169711554 562871001 /nfs/dbraw/zinc/87/10/01/562871001.db2.gz NNVALDWABMFLFC-UHFFFAOYSA-N 1 0 582.705 5.732 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C(C)C)CC5)cc4)c3)c(OC)cc21 ZINC000169711542 562871026 /nfs/dbraw/zinc/87/10/26/562871026.db2.gz HNWOBYZMDDXMMN-UHFFFAOYSA-N 1 0 541.652 5.865 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC000169711604 562871053 /nfs/dbraw/zinc/87/10/53/562871053.db2.gz XIJVCNLGAHCGGX-UHFFFAOYSA-N 1 0 571.678 5.493 1 0 KKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+]([C@H](Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000169723203 562871329 /nfs/dbraw/zinc/87/13/29/562871329.db2.gz ZQRFTSWTVBQPMZ-ZHAMFGDSSA-N 1 0 545.727 8.144 1 0 KKAFRO Cc1c(-c2cc(Nc3nc4c(s3)C[NH2+]CC4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000199975997 562873162 /nfs/dbraw/zinc/87/31/62/562873162.db2.gz SVJLSEOIBZWLLQ-UHFFFAOYSA-N 1 0 532.695 5.111 1 0 KKAFRO CC[NH+]1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c(OC)c2)CC1 ZINC000201538559 562873505 /nfs/dbraw/zinc/87/35/05/562873505.db2.gz UVFVNHXQBCTBNE-UHFFFAOYSA-N 1 0 541.618 5.260 1 0 KKAFRO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000201981554 562873598 /nfs/dbraw/zinc/87/35/98/562873598.db2.gz NEFWYBQTGGELJS-AECJBDNTSA-N 1 0 623.823 5.516 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH]nc4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426865 562874446 /nfs/dbraw/zinc/87/44/46/562874446.db2.gz PAECUBUJXZVOQS-OAQYLSRUSA-N 1 0 500.651 5.068 1 0 KKAFRO CC[NH+](CC)[C@@H]1CCO[C@H](c2c(-c3ccc4c(c3)OCCn3cc(-c5nc(C)nn5C(C)C)nc3-4)cnn2C)C1 ZINC000204430649 562874495 /nfs/dbraw/zinc/87/44/95/562874495.db2.gz JUCFCEMDRWPMSZ-AMGIVPHBSA-N 1 0 544.704 5.053 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000214151704 562877300 /nfs/dbraw/zinc/87/73/00/562877300.db2.gz XXIRZGYGUVYGSA-PLRJNAJWSA-N 1 0 536.701 6.345 1 0 KKAFRO C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2nccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)CC1 ZINC000215494996 562877388 /nfs/dbraw/zinc/87/73/88/562877388.db2.gz WGIPOIJAYZGXFD-UHFFFAOYSA-N 1 0 525.556 5.230 1 0 KKAFRO [NH2+]=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(C[C@@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000219072625 562877975 /nfs/dbraw/zinc/87/79/75/562877975.db2.gz MWPFNYBDOHKZHA-UCGGBYDDSA-N 1 0 585.793 6.410 1 0 KKAFRO Cc1cccc([C@@H]2C[C@H](c3ccccc3)CCN2C(=O)[C@@H]2C[NH2+]C[C@@]23CCCc2nc(Cl)ccc23)c1 ZINC000220900682 562878644 /nfs/dbraw/zinc/87/86/44/562878644.db2.gz SHGDACKXZZBVAK-JFQXFQIGSA-N 1 0 500.086 5.984 1 0 KKAFRO COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCC[NH+](C)C)C2=O ZINC000221005661 562878725 /nfs/dbraw/zinc/87/87/25/562878725.db2.gz YBMQYNARIZUNIO-WJOKGBTCSA-N 1 0 593.555 7.310 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4oc(-c5ccccc5)nc4C)cc32)c1C ZINC000221776222 562879230 /nfs/dbraw/zinc/87/92/30/562879230.db2.gz RIZKXROOBAFLJT-BWAHOGKJSA-N 1 0 537.664 5.826 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccn5)n4)cc32)c1C ZINC000221771858 562879250 /nfs/dbraw/zinc/87/92/50/562879250.db2.gz CCNSITTUYJKYMB-JWGURIENSA-N 1 0 540.693 5.381 1 0 KKAFRO Cc1c(-c2cc(Nc3ccc(N4CC[NH+](C)CC4)cn3)c(=O)n(C)c2)cccc1-n1ccc2cc(C3CC3)cc(F)c2c1=O ZINC000221780514 562879271 /nfs/dbraw/zinc/87/92/71/562879271.db2.gz DDPZNTYDFQHBDJ-UHFFFAOYSA-N 1 0 590.703 5.572 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)s4)cc32)c1C ZINC000221776660 562879307 /nfs/dbraw/zinc/87/93/07/562879307.db2.gz SYNFRCFGVPOLIR-ULJHMMPZSA-N 1 0 539.705 5.986 1 0 KKAFRO COc1ccc(C[NH3+])cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224062205 562880212 /nfs/dbraw/zinc/88/02/12/562880212.db2.gz ZJWOFSLLBIUKPW-GDLZYMKVSA-N 1 0 549.502 7.136 1 0 KKAFRO O=C1N([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)CC[C@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253638892 562882518 /nfs/dbraw/zinc/88/25/18/562882518.db2.gz AHLGRBHVXQDOCE-NSGJQZOKSA-N 1 0 610.639 6.485 1 0 KKAFRO CO[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253679923 562882824 /nfs/dbraw/zinc/88/28/24/562882824.db2.gz WCNNBKIYWOWYQW-VEIFUORISA-N 1 0 624.666 7.139 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299825336 562883545 /nfs/dbraw/zinc/88/35/45/562883545.db2.gz CDRLKZNHYNZTNA-UHFFFAOYSA-N 1 0 535.888 6.936 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(-c2ccc(Cl)cc2)c(F)cc3O)CC1 ZINC000299825734 562883654 /nfs/dbraw/zinc/88/36/54/562883654.db2.gz NQRMASQBYCUBKZ-UHFFFAOYSA-N 1 0 697.173 9.926 1 0 KKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3nc4n(c(=O)c3c2)CCCN4CCC[NH+]2CCCCC2)cc1 ZINC000299825757 562883658 /nfs/dbraw/zinc/88/36/58/562883658.db2.gz CFFQXSKNVOXHTG-UHFFFAOYSA-N 1 0 503.647 5.217 1 0 KKAFRO O=C(NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2[nH+]c(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299827772 562884217 /nfs/dbraw/zinc/88/42/17/562884217.db2.gz HUAUVHYOLGBGMR-UHFFFAOYSA-N 1 0 638.643 9.006 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299829067 562884732 /nfs/dbraw/zinc/88/47/32/562884732.db2.gz KMYSMOYQAFQXMY-UHFFFAOYSA-N 1 0 609.598 5.820 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2ccsc21 ZINC000299829656 562884929 /nfs/dbraw/zinc/88/49/29/562884929.db2.gz KVQXSRPPMDSZLB-UHFFFAOYSA-N 1 0 509.079 6.800 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299831352 562885538 /nfs/dbraw/zinc/88/55/38/562885538.db2.gz OCVRMWSUAMENTB-UHFFFAOYSA-N 1 0 612.414 8.760 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC[C@H]4C[NH3+])c4ccc(C)cc34)cc2)c1C ZINC000299831872 562885739 /nfs/dbraw/zinc/88/57/39/562885739.db2.gz OPMWQKMHURGSRY-VWLOTQADSA-N 1 0 554.695 5.019 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299832099 562885750 /nfs/dbraw/zinc/88/57/50/562885750.db2.gz RMXJOANOBDNJEL-UHFFFAOYSA-N 1 0 595.571 5.430 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299833649 562886219 /nfs/dbraw/zinc/88/62/19/562886219.db2.gz VJRYTFIMTIJWJW-UHFFFAOYSA-N 1 0 609.598 5.820 1 0 KKAFRO CC[NH+](CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]4(C)CC[C@@H]32)C1 ZINC000299834005 562886386 /nfs/dbraw/zinc/88/63/86/562886386.db2.gz AWZZCMVGONXAJK-FLFWOSPYSA-N 1 0 501.840 7.870 1 0 KKAFRO CN(C(=O)CN(CC(=O)NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299834865 562886620 /nfs/dbraw/zinc/88/66/20/562886620.db2.gz ZVAPSFHTGAGEON-RUZDIDTESA-N 1 0 581.544 5.086 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c(O)cc1O ZINC000299835212 562886754 /nfs/dbraw/zinc/88/67/54/562886754.db2.gz KXPSBWYDIUVSGL-OALUTQOASA-N 1 0 503.643 6.370 1 0 KKAFRO CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 ZINC000299835242 562886825 /nfs/dbraw/zinc/88/68/25/562886825.db2.gz WNPYNZDVDUMJBN-WJOKGBTCSA-N 1 0 606.786 9.455 1 0 KKAFRO COc1cc2cc(C(=O)NCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c(=O)oc2cc1OC ZINC000299835584 562886901 /nfs/dbraw/zinc/88/69/01/562886901.db2.gz WQAOCFQOQDPKHB-UHFFFAOYSA-N 1 0 515.610 5.249 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(O)cc1O ZINC000299835758 562886967 /nfs/dbraw/zinc/88/69/67/562886967.db2.gz LLRLVSMTALSDMY-ROUUACIJSA-N 1 0 505.615 5.501 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)C[NH+](C)C)CC[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2 ZINC000299836240 562887061 /nfs/dbraw/zinc/88/70/61/562887061.db2.gz MOPGWGJXMFPHMU-NDIVSWGXSA-N 1 0 716.877 5.514 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299838199 562887766 /nfs/dbraw/zinc/88/77/66/562887766.db2.gz MEMROJSNEKIJMV-UHFFFAOYSA-N 1 0 738.614 7.753 1 0 KKAFRO CCOC(=O)c1ccnc(-n2c3cc(F)ccc3c(C3CC[NH+](CCCSc4ccc(F)cc4)CC3)c2CC)c1 ZINC000299840559 562888562 /nfs/dbraw/zinc/88/85/62/562888562.db2.gz VJUTWTGDFJIQRL-UHFFFAOYSA-N 1 0 563.714 7.405 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299840511 562888582 /nfs/dbraw/zinc/88/85/82/562888582.db2.gz XQPIFQDPMXHBHG-UHFFFAOYSA-N 1 0 766.668 8.390 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299840649 562888603 /nfs/dbraw/zinc/88/86/03/562888603.db2.gz YFFTUSWUQOIOEM-UHFFFAOYSA-N 1 0 691.735 7.520 1 0 KKAFRO Cc1c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cccc1-c1cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)n(C)c1 ZINC000299840958 562888701 /nfs/dbraw/zinc/88/87/01/562888701.db2.gz XABLCCBGJBNQGU-UHFFFAOYSA-N 1 0 561.734 6.092 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299840917 562888715 /nfs/dbraw/zinc/88/87/15/562888715.db2.gz WTRLYZUEDFZGKI-UHFFFAOYSA-N 1 0 565.828 6.058 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)[C@@H]2Cc1cccnc1 ZINC000299847366 562889887 /nfs/dbraw/zinc/88/98/87/562889887.db2.gz OMXFBWUCMLOHPQ-TVPFMAAGSA-N 1 0 533.738 5.106 1 0 KKAFRO COc1cccc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299854915 562891521 /nfs/dbraw/zinc/89/15/21/562891521.db2.gz APPSTWKASLEFLV-HINUPRAASA-N 1 0 576.703 7.738 1 0 KKAFRO COc1ccccc1-c1c(=O)n(CCCC[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c(=O)n2ccccc12 ZINC000299858031 562892356 /nfs/dbraw/zinc/89/23/56/562892356.db2.gz PRPLEQLYVCRLFG-UHFFFAOYSA-N 1 0 540.639 5.417 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859216 562892628 /nfs/dbraw/zinc/89/26/28/562892628.db2.gz FMRSUYVTBKFLDM-HHHXNRCGSA-N 1 0 620.581 7.839 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCC[NH+]3CCCCC3)O5)ccc2OC)c1 ZINC000299860006 562892846 /nfs/dbraw/zinc/89/28/46/562892846.db2.gz IUAHOJURDLLHBR-GDLZYMKVSA-N 1 0 597.668 5.695 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299860662 562892975 /nfs/dbraw/zinc/89/29/75/562892975.db2.gz GYANWDNIKGBQDN-UUWRZZSWSA-N 1 0 543.752 7.007 1 0 KKAFRO CO[C@H]1CCC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862928 562893704 /nfs/dbraw/zinc/89/37/04/562893704.db2.gz KIIVFPPAZKVFDP-MHZLTWQESA-N 1 0 549.502 7.351 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C=C/C3CC3)c2)n1 ZINC000299864833 562894260 /nfs/dbraw/zinc/89/42/60/562894260.db2.gz NABVLMHESOKZLJ-DHZHZOJOSA-N 1 0 535.048 5.331 1 0 KKAFRO COc1cc2c(cc1OCc1ccccc1)nncc2-c1ccc(N2CCC(O)(c3cccnc3)CC2)nc1 ZINC000299865397 562894387 /nfs/dbraw/zinc/89/43/87/562894387.db2.gz NQHLEHQTDXRJSD-UHFFFAOYSA-N 1 0 519.605 5.162 1 0 KKAFRO COc1cc2c(cc1Br)[C@H](C)C[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865958 562894565 /nfs/dbraw/zinc/89/45/65/562894565.db2.gz UXFGCCXECAOESJ-UVAMRGMASA-N 1 0 593.528 7.394 1 0 KKAFRO C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299866181 562894600 /nfs/dbraw/zinc/89/46/00/562894600.db2.gz OQCFGGOXRNFFJG-YUGCFENPSA-N 1 0 545.683 5.790 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299867316 562894828 /nfs/dbraw/zinc/89/48/28/562894828.db2.gz QDLRHMZRLCCZQC-SVBGJNGRSA-N 1 0 557.694 5.936 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000299867402 562894872 /nfs/dbraw/zinc/89/48/72/562894872.db2.gz XXRXVKFWWCNTPS-NIYJGHKDSA-N 1 0 505.024 6.716 1 0 KKAFRO CCN1c2ccccc2[C@@]2([NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867659 562894908 /nfs/dbraw/zinc/89/49/08/562894908.db2.gz QMNWXKSGOPPJNR-YUJCASBFSA-N 1 0 601.747 5.587 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CC[NH+]3CCCCC3)O5)ccc2OC)c1 ZINC000299868287 562895088 /nfs/dbraw/zinc/89/50/88/562895088.db2.gz ZPRMBYFIGYTTNA-NDEPHWFRSA-N 1 0 583.641 5.305 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299870690 562895533 /nfs/dbraw/zinc/89/55/33/562895533.db2.gz WSGCGGATBVZWKD-OJWOXQGASA-N 1 0 571.721 6.326 1 0 KKAFRO CCCCn1cccc2ccc(=NC(=O)Cc3ccc(CC(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)cc1-2 ZINC000377848844 562896409 /nfs/dbraw/zinc/89/64/09/562896409.db2.gz JOPMXSAKLANYIA-UHFFFAOYSA-O 1 0 559.734 6.485 1 0 KKAFRO CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cnc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000473087999 562897262 /nfs/dbraw/zinc/89/72/62/562897262.db2.gz NDESJLVJOXCZGF-UHFFFAOYSA-N 1 0 507.063 5.203 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3C(F)(F)F)c(=O)n2C)cc1F ZINC000473090923 562897630 /nfs/dbraw/zinc/89/76/30/562897630.db2.gz QIYZTXDAIQBDKE-UHFFFAOYSA-N 1 0 722.740 6.260 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C1CC[NH+](C(C)C)CC1 ZINC000473091992 562897727 /nfs/dbraw/zinc/89/77/27/562897727.db2.gz RODOTKQMQCAMDP-UHFFFAOYSA-N 1 0 602.205 5.392 1 0 KKAFRO COc1ccc2c(c1)CCOC21CC[NH+](CC[C@@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000473100649 562898079 /nfs/dbraw/zinc/89/80/79/562898079.db2.gz JBPGVGKLUHRKDA-MUUNZHRXSA-N 1 0 588.617 6.346 1 0 KKAFRO CC[N@H+](CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473111984 562898633 /nfs/dbraw/zinc/89/86/33/562898633.db2.gz CFOIFFPFAAKXIZ-UHFFFAOYSA-N 1 0 517.622 6.167 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473112742 562898720 /nfs/dbraw/zinc/89/87/20/562898720.db2.gz GDYOTQGQDLNPGL-UHFFFAOYSA-N 1 0 533.621 5.785 1 0 KKAFRO COc1cc2oc(-c3ccc(OCCCCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473116480 562899147 /nfs/dbraw/zinc/89/91/47/562899147.db2.gz WTRZMFFNXUJKHQ-UHFFFAOYSA-N 1 0 586.729 6.243 1 0 KKAFRO O=C(/C=C/C[NH+](C1CC1)C1CC1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000473121102 562899385 /nfs/dbraw/zinc/89/93/85/562899385.db2.gz FJNJCQOYEGCBBS-ZGTHZTNPSA-N 1 0 538.023 5.455 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000473124019 562899605 /nfs/dbraw/zinc/89/96/05/562899605.db2.gz MTSCCALHTIRYSN-SNAWJCMRSA-N 1 0 523.943 5.127 1 0 KKAFRO O=C(/C=C/C[NH2+]C1CC1)Nc1cc2c(cc1OCC(F)(F)F)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000473126527 562899753 /nfs/dbraw/zinc/89/97/53/562899753.db2.gz UGIWQEBCVHKHIW-OWOJBTEDSA-N 1 0 509.891 5.354 1 0 KKAFRO CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)C[C@@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129829 562900054 /nfs/dbraw/zinc/90/00/54/562900054.db2.gz ITXUJDTVHQVSLI-JNQIMCCTSA-N 1 0 509.666 5.771 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)C(C)C)C(C)C)ccc1OC ZINC000473145108 562901292 /nfs/dbraw/zinc/90/12/92/562901292.db2.gz BEZMDEBBQTWNIU-KRCBVYEFSA-N 1 0 616.840 5.042 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000473145690 562901356 /nfs/dbraw/zinc/90/13/56/562901356.db2.gz ZBSDELZYHVIJTD-NAKRPHOHSA-N 1 0 551.580 5.923 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCCc2ccccc2)C(C)C)C(C)C)ccc1OC ZINC000473149692 562901526 /nfs/dbraw/zinc/90/15/26/562901526.db2.gz KCOAOZQLHNDTPY-ORYMTKCHSA-N 1 0 570.815 5.415 1 0 KKAFRO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(NCCCN2CC[NH+](CC)CC2)cc1 ZINC000473149652 562901539 /nfs/dbraw/zinc/90/15/39/562901539.db2.gz JXMKJNIOAIGALY-UHFFFAOYSA-N 1 0 529.607 5.035 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(-c3ccccn3)nn2)C(C)C)C(C)C)ccc1OC ZINC000473151261 562901635 /nfs/dbraw/zinc/90/16/35/562901635.db2.gz OTNGYUMGNRCOJM-ZGDGUDBWSA-N 1 0 666.908 5.162 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccc3ccccc3c2)C(C)C)C(C)C)ccc1OC ZINC000473153292 562901968 /nfs/dbraw/zinc/90/19/68/562901968.db2.gz ZXOWAXUDUWEVCG-ZYADHFCISA-N 1 0 648.929 7.204 1 0 KKAFRO COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCC[N@H+](CCCNC(=O)OCc4ccccc4)C3)cc21 ZINC000473162829 562902812 /nfs/dbraw/zinc/90/28/12/562902812.db2.gz PGWVTNQSTFSHFU-JOCHJYFZSA-N 1 0 516.617 5.874 1 0 KKAFRO O=C([O-])C[NH+]1CCC(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215174 562903953 /nfs/dbraw/zinc/90/39/53/562903953.db2.gz AWBWQBMGIDKGBV-DJARZULQSA-N 1 0 532.773 6.292 1 0 KKAFRO O=C([O-])CC[NH+]1CCC(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215487 562904009 /nfs/dbraw/zinc/90/40/09/562904009.db2.gz QHAVXVBAQUXABX-HYQNUUMSSA-N 1 0 546.800 6.682 1 0 KKAFRO NC(=O)CN1CCC[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 ZINC000473215516 562904141 /nfs/dbraw/zinc/90/41/41/562904141.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 1 0 503.735 5.575 1 0 KKAFRO Cc1ncsc1CN(C(=O)CC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000473233240 562904507 /nfs/dbraw/zinc/90/45/07/562904507.db2.gz RWBFFGLASJRBLC-JGCGQSQUSA-N 1 0 599.845 8.497 1 0 KKAFRO CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC000473243815 562904736 /nfs/dbraw/zinc/90/47/36/562904736.db2.gz BSHFGOYYZAPXPK-WXUXXXNLSA-N 1 0 585.793 5.238 1 0 KKAFRO CCN(c1cc(-c2cnn(C)c2C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243843 562904745 /nfs/dbraw/zinc/90/47/45/562904745.db2.gz BWHNKEYPTKLAIL-SOAUALDESA-N 1 0 532.733 5.050 1 0 KKAFRO CCN(c1cc(-c2ccsc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245073 562904907 /nfs/dbraw/zinc/90/49/07/562904907.db2.gz TXDMVKQHJKJCRR-SOAUALDESA-N 1 0 520.743 6.070 1 0 KKAFRO CCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603342 562905245 /nfs/dbraw/zinc/90/52/45/562905245.db2.gz BVVJNIXKEAOEEH-LJAQVGFWSA-N 1 0 515.698 5.764 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCc4ccncc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609848 562905708 /nfs/dbraw/zinc/90/57/08/562905708.db2.gz WDZLCEHORPBZIM-SSEXGKCCSA-N 1 0 536.676 5.169 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(-c4ccc5cc[nH]c(=O)c5c4)ccc32)c1C ZINC000653662926 562905911 /nfs/dbraw/zinc/90/59/11/562905911.db2.gz MHIIQKUKXWFVBC-UQQQWYQISA-N 1 0 523.637 5.117 1 0 KKAFRO CC[NH+](CC)CCN(C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000653666685 562905992 /nfs/dbraw/zinc/90/59/92/562905992.db2.gz HCRSITIWRVFBPJ-BWAHOGKJSA-N 1 0 553.732 6.329 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(C(=O)c5ccccc5)cc4)ccc32)c1C ZINC000653672891 562906208 /nfs/dbraw/zinc/90/62/08/562906208.db2.gz ZTZUZZZKDUWAHS-ANYBSYGZSA-N 1 0 560.698 6.094 1 0 KKAFRO Cc1ccc(C2CCN(C(=O)N[C@H](Cc3cc4c[nH]nc4c(C)c3)C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC000653710307 562908132 /nfs/dbraw/zinc/90/81/32/562908132.db2.gz RXIIQYXCMYPPHU-WJOKGBTCSA-N 1 0 570.782 5.157 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CC[NH+](C)C)c1ccccc1 ZINC000653712805 562908181 /nfs/dbraw/zinc/90/81/81/562908181.db2.gz QXQOBCBJOCQFRK-JGCGQSQUSA-N 1 0 507.634 5.772 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CC[NH+](C)C)c1cccc(Br)c1 ZINC000653714253 562908385 /nfs/dbraw/zinc/90/83/85/562908385.db2.gz JEEVMYLVUPBCFP-JGCGQSQUSA-N 1 0 586.530 6.534 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3cc(COc4ccc5ccccc5c4)nn3)cc1)CC2 ZINC000653717534 562908581 /nfs/dbraw/zinc/90/85/81/562908581.db2.gz MXHJCSIMGXEOEW-UHFFFAOYSA-N 1 0 520.633 5.618 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000653723262 562908846 /nfs/dbraw/zinc/90/88/46/562908846.db2.gz JGYPLELRFFNBJT-UHFFFAOYSA-N 1 0 711.165 8.388 1 0 KKAFRO COc1cc(/C=C/c2ccc(OCC(=O)NCCCCCC[N@H+](C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653723552 562908908 /nfs/dbraw/zinc/90/89/08/562908908.db2.gz RRFCBVMSNFRIOI-BUHFOSPRSA-N 1 0 546.708 6.070 1 0 KKAFRO CC[N@H+](CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653727844 562909251 /nfs/dbraw/zinc/90/92/51/562909251.db2.gz UVFOASANNBDTFF-CCEZHUSRSA-N 1 0 560.735 6.460 1 0 KKAFRO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc1)nc1ccccc12 ZINC000653735641 562909639 /nfs/dbraw/zinc/90/96/39/562909639.db2.gz COUNOVBOTAEZCB-UHFFFAOYSA-N 1 0 633.756 7.558 1 0 KKAFRO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc1)nc1ccccc12 ZINC000653738987 562909936 /nfs/dbraw/zinc/90/99/36/562909936.db2.gz GNVYNTRHVVMNKZ-UHFFFAOYSA-N 1 0 633.756 7.558 1 0 KKAFRO Cc1nc2ccccc2c(N(C)c2ccc(OCCN3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)cc2)n1 ZINC000653739194 562910042 /nfs/dbraw/zinc/91/00/42/562910042.db2.gz XKSUACZCIOIJIV-UHFFFAOYSA-N 1 0 523.725 6.200 1 0 KKAFRO COc1ccccc1-n1c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OCCC[NH+]5CCCCC5)c(OC)cc43)c(F)c2)c(Cl)c2ccccc21 ZINC000653739788 562910127 /nfs/dbraw/zinc/91/01/27/562910127.db2.gz UWRUEYUIDWQJJT-UHFFFAOYSA-N 1 0 737.228 8.648 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)CC(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000653740644 562910178 /nfs/dbraw/zinc/91/01/78/562910178.db2.gz KXXMHYNEJGGZSK-UHFFFAOYSA-N 1 0 576.167 5.343 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)[C@H](C)C(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000653745094 562910319 /nfs/dbraw/zinc/91/03/19/562910319.db2.gz AATYURAHVNWLEE-LJQANCHMSA-N 1 0 590.194 5.732 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC ZINC000653748849 562910530 /nfs/dbraw/zinc/91/05/30/562910530.db2.gz WZHZPRTUZZDMJN-UHFFFAOYSA-N 1 0 523.626 5.136 1 0 KKAFRO [NH3+][C@H](CNc1nc(-c2ccncc2)nc2c1sc(C(F)(F)F)c2-c1ccccc1Cl)Cc1ccccc1 ZINC000653752881 562910764 /nfs/dbraw/zinc/91/07/64/562910764.db2.gz JJUDINBKYZSNDH-SFHVURJKSA-N 1 0 540.014 7.074 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCOc2ccc(-n3nc4ccc(C(F)(F)F)cc4n3)cc2)CC1 ZINC000653757143 562911019 /nfs/dbraw/zinc/91/10/19/562911019.db2.gz QKGRCFSPZWXPRG-UHFFFAOYSA-N 1 0 511.548 5.039 1 0 KKAFRO CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000653779618 562912050 /nfs/dbraw/zinc/91/20/50/562912050.db2.gz FFNGOERNUVKSJA-UHFFFAOYSA-N 1 0 640.119 6.777 1 0 KKAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653779536 562912060 /nfs/dbraw/zinc/91/20/60/562912060.db2.gz OKCKNHYQHIZSIR-UHFFFAOYSA-N 1 0 521.547 5.788 1 0 KKAFRO Cc1c(CC(=O)NCC[NH+](C)C)c2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc2n1S(=O)(=O)c1ccccc1 ZINC000653782776 562912257 /nfs/dbraw/zinc/91/22/57/562912257.db2.gz XRNRNFHSVSOCTA-UHFFFAOYSA-N 1 0 624.763 5.238 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653785878 562912372 /nfs/dbraw/zinc/91/23/72/562912372.db2.gz HJZOPYYUOLSQPF-KKLWWLSJSA-N 1 0 515.681 5.713 1 0 KKAFRO COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sc(C(=O)c4ccccc4)cc32)cc1 ZINC000653787799 562912498 /nfs/dbraw/zinc/91/24/98/562912498.db2.gz ZPHGSFNDZGYTOB-UHFFFAOYSA-N 1 0 549.696 5.949 1 0 KKAFRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653794117 562912881 /nfs/dbraw/zinc/91/28/81/562912881.db2.gz RSNNOUWADQQHGE-UHFFFAOYSA-N 1 0 520.559 7.022 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccc(Br)cc1 ZINC000653794478 562912902 /nfs/dbraw/zinc/91/29/02/562912902.db2.gz CCJOFWVVEQHIEV-MPQUPPDSSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653794448 562912926 /nfs/dbraw/zinc/91/29/26/562912926.db2.gz UKZWQHUHEACMLG-UHFFFAOYSA-N 1 0 576.623 6.094 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794527 562912969 /nfs/dbraw/zinc/91/29/69/562912969.db2.gz SETFSSCHFHLHLA-PQQNNWGCSA-N 1 0 555.746 6.439 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653802015 562913437 /nfs/dbraw/zinc/91/34/37/562913437.db2.gz DKCHVCFUUQNLGO-ZAQUEYBZSA-N 1 0 591.779 7.284 1 0 KKAFRO COC(=O)c1cc2cc(C=Cc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000653825241 562914348 /nfs/dbraw/zinc/91/43/48/562914348.db2.gz KFUSSUJHVDNEGR-QLTYUHAQSA-N 1 0 605.661 6.235 1 0 KKAFRO COC(=O)c1cc2cc(C=Cc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000653825240 562914364 /nfs/dbraw/zinc/91/43/64/562914364.db2.gz KFUSSUJHVDNEGR-KFFOYYGSSA-N 1 0 605.661 6.235 1 0 KKAFRO C[C@@H](Nc1nc(N)nc2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834976 562914663 /nfs/dbraw/zinc/91/46/63/562914663.db2.gz QTBWGIVMQAJFJW-CYBMUJFWSA-N 1 0 500.409 5.619 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ccn1 ZINC000653851605 562915579 /nfs/dbraw/zinc/91/55/79/562915579.db2.gz BKJBDMOGSXTZKR-UHFFFAOYSA-N 1 0 543.525 5.886 1 0 KKAFRO C[NH+](CCCN1C(=O)c2cccc3c(N4CCC(CCO)CC4)ccc(c32)C1=O)CCCN1C(=O)c2cccc3c(N4CCC(CCO)CC4)ccc(c32)C1=O ZINC000653856998 562915772 /nfs/dbraw/zinc/91/57/72/562915772.db2.gz GNTFAPGEQCDQAJ-UHFFFAOYSA-N 1 0 759.948 5.795 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)Oc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1 ZINC000653857057 562915789 /nfs/dbraw/zinc/91/57/89/562915789.db2.gz WRWSZPDJAJPFBH-HXUWFJFHSA-N 1 0 512.576 5.311 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857971 562915890 /nfs/dbraw/zinc/91/58/90/562915890.db2.gz RNRJJFLLKJWVTF-UHFFFAOYSA-N 1 0 573.471 5.757 1 0 KKAFRO NC(=[NH2+])N1CCC[C@H]1c1nc(-c2ccc3cc(OCC(=O)c4ccc(C(F)(F)F)cc4)ccc3c2)no1 ZINC000653863991 562916082 /nfs/dbraw/zinc/91/60/82/562916082.db2.gz XUXIHIPUVGXTQG-NRFANRHFSA-N 1 0 509.488 5.201 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3F)nn2)cc1F ZINC000653867753 562916290 /nfs/dbraw/zinc/91/62/90/562916290.db2.gz LVRLELVUZGRCSO-UHFFFAOYSA-N 1 0 629.668 5.163 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653874541 562916568 /nfs/dbraw/zinc/91/65/68/562916568.db2.gz JLHQVEAWKZEUAJ-UHFFFAOYSA-N 1 0 596.663 6.263 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653882375 562916875 /nfs/dbraw/zinc/91/68/75/562916875.db2.gz OUORYOBLKIUEDR-UHFFFAOYSA-N 1 0 610.690 6.509 1 0 KKAFRO CC(C)(C)c1ccc(-c2cn([C@H](C[NH+]3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888013 562917112 /nfs/dbraw/zinc/91/71/12/562917112.db2.gz KPEVFWABFLSPAM-GDLZYMKVSA-N 1 0 539.749 5.810 1 0 KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@H](C)c2cccc(CO)c2)cc1O ZINC000085568421 565143700 /nfs/dbraw/zinc/14/37/00/565143700.db2.gz MZTKTTGKLUHANU-LRAURROESA-N 1 0 625.718 6.004 1 0 biogenic,in-vitro KKAFRO C[NH2+]CC1=C[C@H]2CC[C@H](CCO)C[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595789 565154034 /nfs/dbraw/zinc/15/40/34/565154034.db2.gz YPRVTVDQEDHBDC-BUGJGNTFSA-N 1 0 609.760 5.144 1 0 biogenic,in-vitro KKAFRO COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C(C[NH2+]CCC(C)C)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595800 565154062 /nfs/dbraw/zinc/15/40/62/565154062.db2.gz ILUFLJKWFLGOED-DPKNHNCWSA-N 1 0 621.815 6.952 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C[C@H]2CC[C@H](CCO)C[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595772 565154074 /nfs/dbraw/zinc/15/40/74/565154074.db2.gz RWGFQZOBKGPXIV-LOZQJWQGSA-N 1 0 637.814 5.924 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C[C@@H](CCCCc2ccccc2)[C@@H](C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)CC1=O ZINC000085596138 565154768 /nfs/dbraw/zinc/15/47/68/565154768.db2.gz SYNGYVIPHRGSFR-DWBYILJJSA-N 1 0 691.909 8.803 1 0 biogenic,in-vitro KKAFRO CNC(=[NH2+])Nc1cccc(CCCC[C@H]2C=C[C@@](O)(CC(=O)CCc3ccc(OC)c(OCc4ccc5cc(O)ccc5c4)c3)CC2)c1 ZINC000085596117 565154782 /nfs/dbraw/zinc/15/47/82/565154782.db2.gz ACCLHEMTRSUWCN-KJKFISAKSA-N 1 0 649.832 7.701 1 0 biogenic,in-vitro KKAFRO CNC(=[NH2+])Nc1cccc(CCCC[C@@H]2C=CC(=O)C[C@H]2C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)c1 ZINC000085596100 565154800 /nfs/dbraw/zinc/15/48/00/565154800.db2.gz TUZYSFVMXGPEEA-SKIDQNGSSA-N 1 0 691.869 7.999 1 0 biogenic,in-vitro KKAFRO CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1 ZINC000085596747 565156101 /nfs/dbraw/zinc/15/61/01/565156101.db2.gz UUHSEAAFNRGARZ-WGWBDUQLSA-N 1 0 682.899 5.424 1 0 biogenic,in-vitro KKAFRO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](C[NH+]3C)C4)c(OC)cc2CC[N@H+]1C ZINC000095485887 565173475 /nfs/dbraw/zinc/17/34/75/565173475.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 1 0 650.816 6.472 1 0 biogenic,in-vitro KKAFRO COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2C2=C1[C@@H]1C(C)=CC(C)(C)[NH2+][C@@H]1C=C2 ZINC000028823364 581097698 /nfs/dbraw/zinc/09/76/98/581097698.db2.gz CZOFJQFQALBETE-UNEJJYMRSA-N 1 0 505.586 5.730 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(Oc4ccccc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823504 581100640 /nfs/dbraw/zinc/10/06/40/581100640.db2.gz AEXPHLJCGOXXBU-JKHUWTJRSA-N 1 0 505.614 7.263 1 0 KKAFRO CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4Cc4ccnc(N)c4)C(=O)O/C5=C\C[C@H](C)C[NH2+]C)[C@@H]32)CCCC1 ZINC000085571198 291920515 /nfs/dbraw/zinc/92/05/15/291920515.db2.gz GNJBVDOKBCCUSZ-HHMNFIJLSA-N 1 0 583.773 6.333 1 0 biogenic,in-vitro KKAFRO CC[NH2+]C1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567487 291939818 /nfs/dbraw/zinc/93/98/18/291939818.db2.gz HATJVHRLOXTJRB-LLUCYPRPSA-N 1 0 618.727 5.458 1 0 biogenic,in-vitro KKAFRO CC[NH2+]C1(Oc2cc(OC)c3c4c2CNc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567542 291939822 /nfs/dbraw/zinc/93/98/22/291939822.db2.gz OZTLEVSGBPJGQE-WYOOIXGGSA-N 1 0 602.728 5.967 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CC1(C3CC[NH2+]CC3)CCCC1)OC2=O)Cc1ccccc1 ZINC000085571347 291945818 /nfs/dbraw/zinc/94/58/18/291945818.db2.gz DKCLWRSCXYELQA-KEZHCMKISA-N 1 0 762.003 10.646 1 0 biogenic,in-vitro KKAFRO C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568355 291951979 /nfs/dbraw/zinc/95/19/79/291951979.db2.gz PXXJCJJHFMGQBV-OVTDWZCSSA-N 1 0 681.786 5.286 1 0 biogenic,in-vitro KKAFRO C[NH2+][C@H]1C=Cc2c([C@H]3Oc4c(ccc5c4[C@]4(CC[C@H](Cc6ccc(N)nc6)C4)Cc4cc(O)cc(OC)c4-5)[C@@H]3COC(C)=O)ccc(O)c2OC1 ZINC000085568341 291957104 /nfs/dbraw/zinc/95/71/04/291957104.db2.gz AUPGUQJJKCMVBE-YAPZVVLTSA-N 1 0 689.809 6.361 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CCC(C)(C)c3ccccc32)c1)CO4 ZINC000085567387 519086341 /nfs/dbraw/zinc/08/63/41/519086341.db2.gz SKNXRCJUTAKOIG-YEWZGAGMSA-N 1 0 752.905 6.589 1 0 biogenic,in-vitro KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C[NH+](C)C)n3Cc3ccccc32)c(Cl)c1 ZINC000001484613 561675782 /nfs/dbraw/zinc/67/57/82/561675782.db2.gz OTFOAJZBMZMLGV-UHFFFAOYSA-N 1 0 531.031 6.112 1 0 KKAFRO Cc1ccc(S(=O)(=O)n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 ZINC000001534898 561676809 /nfs/dbraw/zinc/67/68/09/561676809.db2.gz LYXUUEYLJQIAKO-UHFFFAOYSA-N 1 0 514.691 6.031 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1cccc2ccccc21)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001545571 561677153 /nfs/dbraw/zinc/67/71/53/561677153.db2.gz UPNAHMSJUMHPOR-UHFFFAOYSA-N 1 0 507.655 7.523 1 0 KKAFRO C[C@H](Nc1cc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)ccn1)c1ccccc1 ZINC000001548322 561677436 /nfs/dbraw/zinc/67/74/36/561677436.db2.gz GIIJYBGGSHHNBP-IBGZPJMESA-N 1 0 503.572 6.865 1 0 KKAFRO CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCC[NH+](CC)CC)cc3)nc21 ZINC000003815482 561682893 /nfs/dbraw/zinc/68/28/93/561682893.db2.gz VYSNYHPSOJCNIW-UHFFFAOYSA-N 1 0 526.468 6.249 1 0 KKAFRO CCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922454 561685934 /nfs/dbraw/zinc/68/59/34/561685934.db2.gz CXRZQUOYTHZCRU-UHFFFAOYSA-N 1 0 551.705 6.179 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000003930929 561687495 /nfs/dbraw/zinc/68/74/95/561687495.db2.gz DJQNAWVRMSVHNZ-JGCGQSQUSA-N 1 0 610.582 5.704 1 0 KKAFRO COc1cc(OC2CC[NH+](Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000003931580 561687685 /nfs/dbraw/zinc/68/76/85/561687685.db2.gz PVXXVXNZUNXPMQ-UHFFFAOYSA-N 1 0 570.690 5.203 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[NH+]3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000003933790 561688088 /nfs/dbraw/zinc/68/80/88/561688088.db2.gz OXPHGFUXQGFKRJ-NQVJXQQZSA-N 1 0 655.619 5.728 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2CCCN(CC[NH+]3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 ZINC000003937015 561688610 /nfs/dbraw/zinc/68/86/10/561688610.db2.gz WPUYJTITOZWSHH-UHFFFAOYSA-N 1 0 550.728 6.620 1 0 KKAFRO C[NH+]1CCN(c2ccnc3cc4c(cc32)N(C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC4)CC1 ZINC000003940537 561689293 /nfs/dbraw/zinc/68/92/93/561689293.db2.gz WPPHYUSGNVCERB-UHFFFAOYSA-N 1 0 514.633 5.796 1 0 KKAFRO C[N@H+](CCCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000003946684 561690001 /nfs/dbraw/zinc/69/00/01/561690001.db2.gz CHWKXLFCYIDJEF-PMERELPUSA-N 1 0 570.796 6.471 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1 ZINC000003949313 561690269 /nfs/dbraw/zinc/69/02/69/561690269.db2.gz YNZOWKPPAKUTGP-ZUKKLESISA-N 1 0 572.702 5.909 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 ZINC000003949910 561690302 /nfs/dbraw/zinc/69/03/02/561690302.db2.gz BZIBJSMRZAKWJD-SANMLTNESA-N 1 0 586.620 7.650 1 0 KKAFRO COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000003964968 561691352 /nfs/dbraw/zinc/69/13/52/561691352.db2.gz FXARYXHRHHHECJ-HHHXNRCGSA-N 1 0 525.690 5.557 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccncc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987149 561692904 /nfs/dbraw/zinc/69/29/04/561692904.db2.gz XSLYYJWTXUSRQA-YTTGMZPUSA-N 1 0 563.573 7.248 1 0 KKAFRO COc1cc(C(=O)N2CCOC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000004393260 561694779 /nfs/dbraw/zinc/69/47/79/561694779.db2.gz RWSBBXFLRGQFQP-RKCQUONGSA-N 1 0 673.659 6.031 1 0 KKAFRO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596472 561706088 /nfs/dbraw/zinc/70/60/88/561706088.db2.gz ASQVRSPRDWVAEL-UHFFFAOYSA-N 1 0 622.210 6.291 1 0 KKAFRO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597203 561706100 /nfs/dbraw/zinc/70/61/00/561706100.db2.gz CZJQNCGVUNBWBI-UHFFFAOYSA-N 1 0 601.792 5.680 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008860377 561708774 /nfs/dbraw/zinc/70/87/74/561708774.db2.gz FHMCHSVDDFETIF-BIDWXGPBSA-N 1 0 603.084 8.229 3 0 KKAFRO O=c1cc(NCCC[NH2+][C@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12 ZINC000009133494 561708840 /nfs/dbraw/zinc/70/88/40/561708840.db2.gz ILZKSAPJCKJDGI-KRWDZBQOSA-N 1 0 509.775 5.114 1 0 KKAFRO O=c1cc(NCCC[NH2+][C@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000009132828 561708934 /nfs/dbraw/zinc/70/89/34/561708934.db2.gz YXYUCGITAGFKSB-KRWDZBQOSA-N 1 0 506.242 5.414 1 0 KKAFRO COc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000013472199 561714120 /nfs/dbraw/zinc/71/41/20/561714120.db2.gz KBKTWSOCLDXSQT-OUDZLNJNSA-N 1 0 504.630 5.131 1 0 KKAFRO COC(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440430 561712468 /nfs/dbraw/zinc/71/24/68/561712468.db2.gz MAEKYLZYQYCGDV-UHFFFAOYSA-N 1 0 516.707 5.664 1 0 KKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1F)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448527 561713340 /nfs/dbraw/zinc/71/33/40/561713340.db2.gz HTULAWDUXVEOJC-UHFFFAOYSA-N 1 0 503.593 5.269 1 0 KKAFRO O=c1ccc(-n2cnc3ccccc32)nn1CCCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000013475438 561714585 /nfs/dbraw/zinc/71/45/85/561714585.db2.gz HXEMBPCLUCEGFZ-UHFFFAOYSA-N 1 0 505.066 5.008 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000013479350 561715004 /nfs/dbraw/zinc/71/50/04/561715004.db2.gz PPRARFATQIRNJH-AREMUKBSSA-N 1 0 506.668 5.089 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013479393 561715008 /nfs/dbraw/zinc/71/50/08/561715008.db2.gz YFTCALDDQYKURH-RUZDIDTESA-N 1 0 525.114 5.604 1 0 KKAFRO COc1ccccc1C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000013479388 561715035 /nfs/dbraw/zinc/71/50/35/561715035.db2.gz HQINIQYECXZZQZ-RUZDIDTESA-N 1 0 527.130 6.023 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479343 561715043 /nfs/dbraw/zinc/71/50/43/561715043.db2.gz APZFEOVXGQEKMJ-RUZDIDTESA-N 1 0 506.737 5.621 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489499 561715862 /nfs/dbraw/zinc/71/58/62/561715862.db2.gz WAHSFNMXOHAFIQ-SXOMAYOGSA-N 1 0 507.421 5.060 1 0 KKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494209 561716733 /nfs/dbraw/zinc/71/67/33/561716733.db2.gz ZAHWWNVXUBSWJT-UHFFFAOYSA-N 1 0 500.427 7.136 1 0 KKAFRO COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)c1ccc[n+](C)c1 ZINC000013524911 561717322 /nfs/dbraw/zinc/71/73/22/561717322.db2.gz PDOBZRYYSXWTIA-UHFFFAOYSA-N 1 0 515.630 5.639 1 0 KKAFRO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587342 561720668 /nfs/dbraw/zinc/72/06/68/561720668.db2.gz CMJNMXRSXCYJIR-UHFFFAOYSA-N 1 0 506.343 7.853 1 0 KKAFRO Cc1ccc(C)c2c1cc(C(=O)NC1CC[NH+](C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000013646535 561722587 /nfs/dbraw/zinc/72/25/87/561722587.db2.gz UUWXQABINFEYRX-UHFFFAOYSA-N 1 0 511.091 6.279 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000013661261 561723458 /nfs/dbraw/zinc/72/34/58/561723458.db2.gz XDXYFGPYKCBEHB-VWLOTQADSA-N 1 0 507.671 6.559 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000013661185 561723478 /nfs/dbraw/zinc/72/34/78/561723478.db2.gz QVXVWLQXQKIEKW-HSZRJFAPSA-N 1 0 521.654 6.280 3 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(C[NH+](C)C)c2)[C@H]1O ZINC000013673032 561723766 /nfs/dbraw/zinc/72/37/66/561723766.db2.gz XZEPTGLGRKJGDY-VSGBNLITSA-N 1 0 500.749 5.461 1 0 KKAFRO Cn1cc(C(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c2ccccc21 ZINC000013675677 561724079 /nfs/dbraw/zinc/72/40/79/561724079.db2.gz XLZKWRHITDAXOX-UHFFFAOYSA-N 1 0 503.090 7.051 1 0 KKAFRO COCCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccc(OC)c(CCC[NH+](C)C)c3)cc2)c(C)c1 ZINC000013737810 561725672 /nfs/dbraw/zinc/72/56/72/561725672.db2.gz RYJKLOQHRYQMKA-UHFFFAOYSA-N 1 0 504.627 5.220 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2[C@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000013744546 561726558 /nfs/dbraw/zinc/72/65/58/561726558.db2.gz XHNPKKNIQBKPHA-ZONZVBGPSA-N 1 0 525.577 8.068 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780471 561729192 /nfs/dbraw/zinc/72/91/92/561729192.db2.gz SSFSWVIFTITAGI-DZVDWBIPSA-N 1 0 506.602 5.365 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780465 561729197 /nfs/dbraw/zinc/72/91/97/561729197.db2.gz JEUCGGOZAIJNFG-DZVDWBIPSA-N 1 0 506.602 5.365 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781689 561729461 /nfs/dbraw/zinc/72/94/61/561729461.db2.gz YMJMLBOAWZAJFV-NDEPHWFRSA-N 1 0 528.759 5.971 1 0 KKAFRO C[NH+](C)CCCC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781995 561729598 /nfs/dbraw/zinc/72/95/98/561729598.db2.gz XJKLZGZNEXZJFI-UHFFFAOYSA-N 1 0 530.553 6.143 1 0 KKAFRO COc1ccc(C(c2ccc(OC)cc2)C2CC[NH+](CCCOc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000013824907 561732730 /nfs/dbraw/zinc/73/27/30/561732730.db2.gz UADUJKAMTSHJQS-UHFFFAOYSA-N 1 0 517.666 6.228 1 0 KKAFRO COC(=O)c1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013824950 561732881 /nfs/dbraw/zinc/73/28/81/561732881.db2.gz BFCOJXSJGZXOOA-UHFFFAOYSA-N 1 0 509.593 6.073 1 0 KKAFRO CN(C)C(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834325 561734204 /nfs/dbraw/zinc/73/42/04/561734204.db2.gz CMYBPYJQAUGJNO-UHFFFAOYSA-N 1 0 528.674 6.071 1 0 KKAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000013862757 561734823 /nfs/dbraw/zinc/73/48/23/561734823.db2.gz VEWSJWHSMIMAHF-HKGQOMTBSA-N 1 0 502.486 5.145 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000013919285 561735742 /nfs/dbraw/zinc/73/57/42/561735742.db2.gz ZAOPBCHLHBOUPR-MHZLTWQESA-N 1 0 509.691 5.335 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 ZINC000014191031 561737456 /nfs/dbraw/zinc/73/74/56/561737456.db2.gz BZIBJSMRZAKWJD-AREMUKBSSA-N 1 0 586.620 7.650 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000014263042 561738763 /nfs/dbraw/zinc/73/87/63/561738763.db2.gz KJQHHFWZKACGAF-UPRLRBBYSA-N 1 0 533.556 7.730 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000014263046 561738776 /nfs/dbraw/zinc/73/87/76/561738776.db2.gz KJQHHFWZKACGAF-HZFUHODCSA-N 1 0 533.556 7.730 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 ZINC000014286354 561739138 /nfs/dbraw/zinc/73/91/38/561739138.db2.gz JMIKNHGMALLEMU-PMERELPUSA-N 1 0 550.530 5.687 1 0 KKAFRO COc1ccccc1C(=O)N1CC[C@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000014286345 561739144 /nfs/dbraw/zinc/73/91/44/561739144.db2.gz VMXIXFZELDQUJS-HKBQPEDESA-N 1 0 580.556 5.695 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000014944252 561742326 /nfs/dbraw/zinc/74/23/26/561742326.db2.gz TWRMMAAINFMTFO-KRWDZBQOSA-N 1 0 544.531 6.595 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[NH+]5CCCC5)cc3)CC4)cc12 ZINC000014950430 561745574 /nfs/dbraw/zinc/74/55/74/561745574.db2.gz SNBIFZWZJIQRJQ-UHFFFAOYSA-N 1 0 572.591 6.080 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccc4ccccc4c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950789 561745763 /nfs/dbraw/zinc/74/57/63/561745763.db2.gz VRTLCVDTLDWAER-MHZLTWQESA-N 1 0 566.640 7.048 1 0 KKAFRO CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCC[NH+](C)C)ccc2C)n1 ZINC000014957302 561747950 /nfs/dbraw/zinc/74/79/50/561747950.db2.gz TYDADJOKJRXQDT-UHFFFAOYSA-N 1 0 594.642 5.735 1 0 KKAFRO CC[C@@H](C)c1nc(-c2ccccc2)c(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000014957929 561748159 /nfs/dbraw/zinc/74/81/59/561748159.db2.gz CROIFEYJWRGEQT-JOCHJYFZSA-N 1 0 533.676 6.098 1 0 KKAFRO COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc21 ZINC000014962081 561748727 /nfs/dbraw/zinc/74/87/27/561748727.db2.gz ZKEDQDYNSHAHAO-UHFFFAOYSA-N 1 0 548.437 5.139 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1scc(C[NH2+]CCCn2ccnc2)c1Cl ZINC000014963746 561749194 /nfs/dbraw/zinc/74/91/94/561749194.db2.gz SGUFDEKHCMVEHV-UHFFFAOYSA-N 1 0 562.910 6.589 1 0 KKAFRO COc1ccc(C[N@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000014972993 561751656 /nfs/dbraw/zinc/75/16/56/561751656.db2.gz XMZKYVTYJKSJKG-UHFFFAOYSA-N 1 0 538.688 5.835 1 0 KKAFRO O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014977337 561752309 /nfs/dbraw/zinc/75/23/09/561752309.db2.gz NXTQVMUVBFNMQZ-UHFFFAOYSA-N 1 0 561.008 5.299 1 0 KKAFRO COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cc(OC)c(OC)cc2Br)s1 ZINC000015936851 561753319 /nfs/dbraw/zinc/75/33/19/561753319.db2.gz ZDIIUWNULZFXBG-UHFFFAOYSA-N 1 0 513.437 5.927 3 0 KKAFRO CC[C@@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2Cc2ccc(O)cc2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000017376907 561755058 /nfs/dbraw/zinc/75/50/58/561755058.db2.gz SKUNXXMYICEAKT-LHHUKBANSA-N 1 0 538.736 5.300 3 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545710 561755927 /nfs/dbraw/zinc/75/59/27/561755927.db2.gz UNKQRIKLJYKDOX-RDGATRHJSA-N 1 0 587.713 6.757 3 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545728 561756037 /nfs/dbraw/zinc/75/60/37/561756037.db2.gz VBFWTUJPDMIBLF-DEOSSOPVSA-N 1 0 573.686 6.511 3 0 KKAFRO COc1cc([C@H](CC[NH+]2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000017545794 561756041 /nfs/dbraw/zinc/75/60/41/561756041.db2.gz CEXHKARDBJYWJT-VWLOTQADSA-N 1 0 588.701 5.489 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@@H+]4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655011 561757789 /nfs/dbraw/zinc/75/77/89/561757789.db2.gz KYLMCYPJCZDSJX-ICTDUYRTSA-N 1 0 619.755 6.433 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655211 561757902 /nfs/dbraw/zinc/75/79/02/561757902.db2.gz AFCAOYKFIBILFN-UIOOFZCWSA-N 1 0 606.760 6.100 1 0 KKAFRO O=C(NCCCCNc1ccccc/c1=[NH+]\CCCCNC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000017819757 561758090 /nfs/dbraw/zinc/75/80/90/561758090.db2.gz VAMPVPHSPBARGV-UHFFFAOYSA-N 1 0 530.669 5.412 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(OCCCCCC[NH+]2CCN(C)CC2)c1 ZINC000022925854 561759692 /nfs/dbraw/zinc/75/96/92/561759692.db2.gz LHIKYMNCLXSHKH-UHFFFAOYSA-N 1 0 509.698 6.096 1 0 KKAFRO O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022933119 561760506 /nfs/dbraw/zinc/76/05/06/561760506.db2.gz MFBXPPRGYOZFFQ-UHFFFAOYSA-N 1 0 509.641 5.161 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnnc5ccccc54)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952985 561761356 /nfs/dbraw/zinc/76/13/56/561761356.db2.gz MFIYIBDYEMBAKC-UHFFFAOYSA-N 1 0 592.622 5.299 3 0 KKAFRO COc1cc(OC)cc(-c2cc3cnc(NCCCCC[NH+]4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000023357871 561761741 /nfs/dbraw/zinc/76/17/41/561761741.db2.gz LUPSYDSJDYGOGY-UHFFFAOYSA-N 1 0 563.747 5.064 1 0 KKAFRO C[NH+]1CCN(Cc2c3ccccc3sc2C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000023359279 561762104 /nfs/dbraw/zinc/76/21/04/561762104.db2.gz VCMKFROKSDQHLO-UHFFFAOYSA-N 1 0 553.515 6.460 1 0 KKAFRO C[NH+]1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc65)ccc4o3)ccc2Cl)CC1 ZINC000023359484 561762129 /nfs/dbraw/zinc/76/21/29/561762129.db2.gz HNIQXZXCYMQABS-UHFFFAOYSA-N 1 0 500.002 6.313 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025965232 561763197 /nfs/dbraw/zinc/76/31/97/561763197.db2.gz MCTQXSSLZDBVEP-KNWKATPGSA-N 1 0 621.647 9.866 1 0 KKAFRO CNS(=O)(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026016901 561766362 /nfs/dbraw/zinc/76/63/62/561766362.db2.gz LPZRXLXCLJHJNG-UHFFFAOYSA-N 1 0 504.700 5.483 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026160954 561768526 /nfs/dbraw/zinc/76/85/26/561768526.db2.gz XOLUMIJQZDSNAE-ZJSXRUAMSA-N 1 0 504.652 5.097 1 0 KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026187482 561772812 /nfs/dbraw/zinc/77/28/12/561772812.db2.gz ZLRROAUTLNAPJK-UHFFFAOYSA-N 1 0 643.660 5.142 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189286 561773210 /nfs/dbraw/zinc/77/32/10/561773210.db2.gz LVISBZKPLIJIAQ-XTEPFMGCSA-N 1 0 511.638 5.342 1 0 KKAFRO COCCN(CCOC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026189869 561773408 /nfs/dbraw/zinc/77/34/08/561773408.db2.gz FFEKAHCMXNAHRK-CZFRINIUSA-N 1 0 538.732 6.093 1 0 KKAFRO COc1ccc([C@@H](CCCCCC[NH+]2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263465 561775891 /nfs/dbraw/zinc/77/58/91/561775891.db2.gz JVIBCEVSLTYPFB-JGCGQSQUSA-N 1 0 535.750 7.829 1 0 KKAFRO COc1ccc([C@@H](CCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268296 561776674 /nfs/dbraw/zinc/77/66/74/561776674.db2.gz CJJFSFFAFAEWIN-SSEXGKCCSA-N 1 0 507.696 6.701 1 0 KKAFRO COC(=O)[C@@](CCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282081 561779181 /nfs/dbraw/zinc/77/91/81/561779181.db2.gz LEPRSEYFDFHJBY-YTTGMZPUSA-N 1 0 565.732 6.029 1 0 KKAFRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2SC(C)(C)C)cc1 ZINC000026378467 561782787 /nfs/dbraw/zinc/78/27/87/561782787.db2.gz JDHQZKOERNWTFB-SANMLTNESA-N 1 0 511.732 5.294 1 0 KKAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026379276 561782949 /nfs/dbraw/zinc/78/29/49/561782949.db2.gz YLVYHWXYLSTSIF-DITALETJSA-N 1 0 628.666 6.778 1 0 KKAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCc3ccccc3)cc2)C1=O ZINC000026379233 561782975 /nfs/dbraw/zinc/78/29/75/561782975.db2.gz NFFFPCWDWVJSAZ-WJOKGBTCSA-N 1 0 574.725 5.375 1 0 KKAFRO COc1ccc(CNC(=O)c2ccccc2-c2ccc(CN3c4ccccc4CC[C@@H](NC(=O)CC(C)(C)[NH3+])C3=O)cc2)cc1 ZINC000026379522 561783129 /nfs/dbraw/zinc/78/31/29/561783129.db2.gz GUEFHGGTUUYVNJ-JGCGQSQUSA-N 1 0 604.751 5.384 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026384962 561784135 /nfs/dbraw/zinc/78/41/35/561784135.db2.gz ROBIIVMOXBYSCB-JUKUECOXSA-N 1 0 662.683 6.974 1 0 KKAFRO C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389532 561785440 /nfs/dbraw/zinc/78/54/40/561785440.db2.gz ARHFVLWSFVICTP-OVTYDFDSSA-N 1 0 735.778 6.111 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCC[C@@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498930 561794912 /nfs/dbraw/zinc/79/49/12/561794912.db2.gz RMNBMSAPTRQBGL-JOMNFKBKSA-N 1 0 571.851 5.713 1 0 KKAFRO COc1cc(Cc2c3ccccc3sc2-c2ccc(OCCCCO)cc2)ccc1C[NH+]1CCCC1 ZINC000026395666 561786933 /nfs/dbraw/zinc/78/69/33/561786933.db2.gz USQJNRRPTXDJNO-UHFFFAOYSA-N 1 0 501.692 6.915 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2ccccc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026397691 561787496 /nfs/dbraw/zinc/78/74/96/561787496.db2.gz BLVDTYXRFJFTEH-UHFFFAOYSA-N 1 0 620.750 7.000 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480364 561791572 /nfs/dbraw/zinc/79/15/72/561791572.db2.gz CAVUSKSPYRUUNP-HAKBRCPKSA-N 1 0 635.522 5.179 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026482502 561791848 /nfs/dbraw/zinc/79/18/48/561791848.db2.gz DMSAUVCUXIBGOI-OYZFAQQFSA-N 1 0 593.485 5.408 1 0 KKAFRO CC[C@@H]([NH2+]CCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026491358 561793394 /nfs/dbraw/zinc/79/33/94/561793394.db2.gz NODHTDVWAVGANT-JOCHJYFZSA-N 1 0 506.532 5.554 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026495576 561794342 /nfs/dbraw/zinc/79/43/42/561794342.db2.gz AKMPPEHIIYDFBC-RYXSGMGPSA-N 1 0 591.626 5.943 1 0 KKAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026508345 561796995 /nfs/dbraw/zinc/79/69/95/561796995.db2.gz MGXUBCMNTTYNHN-UHFFFAOYSA-N 1 0 599.735 5.240 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026569673 561797790 /nfs/dbraw/zinc/79/77/90/561797790.db2.gz SKQQTPWQQAVLTC-MGBGTMOVSA-N 1 0 658.598 5.851 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026654696 561808983 /nfs/dbraw/zinc/80/89/83/561808983.db2.gz BMNBPNRAKNFVAB-UHFFFAOYSA-N 1 0 522.408 5.589 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026573451 561798528 /nfs/dbraw/zinc/79/85/28/561798528.db2.gz RQCZULDYXOGDBE-KXQOOQHDSA-N 1 0 723.742 6.001 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000026575567 561799311 /nfs/dbraw/zinc/79/93/11/561799311.db2.gz OIVYFRNOFHRRJS-OUKQBFOZSA-N 1 0 569.753 8.087 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@H]5CC[C@@H]4C5)cc3c2[C@H](C)C[NH2+]CCc2ccncc2)c1 ZINC000026576743 561800567 /nfs/dbraw/zinc/80/05/67/561800567.db2.gz MRMBIQRAHGSBAF-JUFIIOIISA-N 1 0 548.775 7.071 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH3+])Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026576862 561800692 /nfs/dbraw/zinc/80/06/92/561800692.db2.gz FNUFKVJAONMVTK-UHFFFAOYSA-N 1 0 631.177 5.307 1 0 KKAFRO COc1ncc(Cc2cn(CC(=O)N(CC[NH+](C)C)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577464 561801521 /nfs/dbraw/zinc/80/15/21/561801521.db2.gz IZQNPOJPVTXOGP-UHFFFAOYSA-N 1 0 687.241 5.975 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 ZINC000026577533 561801774 /nfs/dbraw/zinc/80/17/74/561801774.db2.gz JAGRLYPMZPJKJU-CFCWSMIUSA-N 1 0 583.647 5.826 1 0 KKAFRO COCn1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccc1=O ZINC000026579617 561804965 /nfs/dbraw/zinc/80/49/65/561804965.db2.gz WEXGSFGAVGLVMG-NGFHQYDQSA-N 1 0 622.854 6.832 1 0 KKAFRO CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCC[NH+]1CCN(c2ccccc2OCC(F)(F)F)CC1 ZINC000026642588 561806961 /nfs/dbraw/zinc/80/69/61/561806961.db2.gz GCDVKULSRAUNGQ-UHFFFAOYSA-N 1 0 550.025 5.155 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Br)cc2ccccc21 ZINC000026659280 561810102 /nfs/dbraw/zinc/81/01/02/561810102.db2.gz NUKZUQXYNIFDJX-CBWMPJGPSA-N 1 0 686.543 8.772 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1 ZINC000026663934 561810707 /nfs/dbraw/zinc/81/07/07/561810707.db2.gz AQGDMGSGBMCAQM-IZZNHLLZSA-N 1 0 510.465 5.275 1 0 KKAFRO [NH3+]CCC[C@H]1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc43)C(=O)[C@@H]12 ZINC000026663553 561810768 /nfs/dbraw/zinc/81/07/68/561810768.db2.gz DPGNBBMMTWINDM-RWIFEVTBSA-N 1 0 554.760 5.354 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026675213 561813867 /nfs/dbraw/zinc/81/38/67/561813867.db2.gz KXNNHYBPDFMKQK-UHFFFAOYSA-N 1 0 546.901 8.402 1 0 in-vitro KKAFRO COc1ccc(COc2ccc(-c3cc(/C=C4/C[N@@H+]5CC[C@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026716737 561814189 /nfs/dbraw/zinc/81/41/89/561814189.db2.gz IBWKUSSSMFKEDB-UQZWFDBPSA-N 1 0 524.617 6.236 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026728561 561816417 /nfs/dbraw/zinc/81/64/17/561816417.db2.gz VRPOLMJTYHGPAL-KLWPZSMLSA-N 1 0 506.602 5.365 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+][C@H](C(C)C)C3)c2c1 ZINC000026729958 561816652 /nfs/dbraw/zinc/81/66/52/561816652.db2.gz ZHKULDQPRKBNKV-QFIPXVFZSA-N 1 0 515.104 5.646 1 0 KKAFRO CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc32)co1 ZINC000026826683 561822069 /nfs/dbraw/zinc/82/20/69/561822069.db2.gz ONSBFNASIDWXPA-UHFFFAOYSA-N 1 0 531.634 5.751 1 0 KKAFRO COC(=O)[C@@H](C1CCCCC1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750949 561819694 /nfs/dbraw/zinc/81/96/94/561819694.db2.gz XAKNITJBZPITFX-DCMFLLSESA-N 1 0 532.769 5.674 1 0 KKAFRO O=C([O-])[C@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026753003 561820172 /nfs/dbraw/zinc/82/01/72/561820172.db2.gz WUHUVZJYMLYIBB-YPKYBTACSA-N 1 0 518.742 5.585 1 0 KKAFRO O=C(OCc1ccccc1)[C@H](C1CCCCC1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823082 561821497 /nfs/dbraw/zinc/82/14/97/561821497.db2.gz MWARYVUQVJIHTP-VYSOZWTASA-N 1 0 608.867 7.244 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccccc1Cl ZINC000026832165 561823162 /nfs/dbraw/zinc/82/31/62/561823162.db2.gz PHJLCZFCACXHBM-PTBNBFCCSA-N 1 0 563.098 6.436 1 0 KKAFRO O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000026832771 561823328 /nfs/dbraw/zinc/82/33/28/561823328.db2.gz MRVANJKCNSLBID-JTSJOTPCSA-N 1 0 520.677 5.684 1 0 KKAFRO C[NH+](C)Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1 ZINC000026832864 561823461 /nfs/dbraw/zinc/82/34/61/561823461.db2.gz HYIPPTOQMVEENL-UHFFFAOYSA-N 1 0 570.738 5.740 1 0 KKAFRO C[C@](CC[NH+]1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 ZINC000026836405 561824546 /nfs/dbraw/zinc/82/45/46/561824546.db2.gz LWFLTINWCAMLGU-FJQKOURKSA-N 1 0 534.704 5.858 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026839322 561825307 /nfs/dbraw/zinc/82/53/07/561825307.db2.gz MYRJOJANKGSZPA-LBNVMWSVSA-N 1 0 560.163 6.116 1 0 KKAFRO COc1cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843812 561826084 /nfs/dbraw/zinc/82/60/84/561826084.db2.gz RMHALYQZHFLFFL-GDLZYMKVSA-N 1 0 655.623 5.299 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026844863 561826409 /nfs/dbraw/zinc/82/64/09/561826409.db2.gz GILCGZNDDDZZSV-HKBQPEDESA-N 1 0 587.855 7.339 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026845660 561826548 /nfs/dbraw/zinc/82/65/48/561826548.db2.gz WSYQSMJFBSIBRN-LJAQVGFWSA-N 1 0 701.539 7.311 1 0 KKAFRO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943004 561828169 /nfs/dbraw/zinc/82/81/69/561828169.db2.gz MOQHJLOTQRZQSC-ZKOPVQMJSA-N 1 0 752.400 5.937 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026970065 561830281 /nfs/dbraw/zinc/83/02/81/561830281.db2.gz LURXIMFKURDUPV-IUKMQXEJSA-N 1 0 575.653 6.804 1 0 KKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027095598 561837994 /nfs/dbraw/zinc/83/79/94/561837994.db2.gz LWPLIGWDKHLNEC-OGICNVKRSA-N 1 0 532.684 5.879 1 0 KKAFRO CC(C)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027098137 561838231 /nfs/dbraw/zinc/83/82/31/561838231.db2.gz JZIDYGOQFGSPBI-VKQIGKSZSA-N 1 0 547.095 5.098 1 0 KKAFRO O=C(c1c2ccccc2sc1-c1ccc(OCCC2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027101623 561838858 /nfs/dbraw/zinc/83/88/58/561838858.db2.gz GQDMWEGXOMULHR-UHFFFAOYSA-N 1 0 539.741 8.233 1 0 KKAFRO O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCCC2CCCC2)cc1 ZINC000027102305 561839080 /nfs/dbraw/zinc/83/90/80/561839080.db2.gz VUQKSNXWZJQSQB-UHFFFAOYSA-N 1 0 539.741 8.233 1 0 KKAFRO CCCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027104711 561839721 /nfs/dbraw/zinc/83/97/21/561839721.db2.gz YMXIFQQEPLWWIN-VKQIGKSZSA-N 1 0 547.095 5.099 1 0 KKAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106872 561840314 /nfs/dbraw/zinc/84/03/14/561840314.db2.gz JKPVPRNBQSDFKM-YRCZKMHPSA-N 1 0 681.944 5.082 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@H]1C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027202125 561845297 /nfs/dbraw/zinc/84/52/97/561845297.db2.gz VCRKDNXOGDJUAN-XMMPIXPASA-N 1 0 576.742 5.423 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000027214038 561847762 /nfs/dbraw/zinc/84/77/62/561847762.db2.gz XRLXHADLAXWZDU-JSXRDJHFSA-N 1 0 617.265 5.026 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027320534 561852574 /nfs/dbraw/zinc/85/25/74/561852574.db2.gz MALCCJMOWDULCW-UHFFFAOYSA-N 1 0 664.822 7.714 1 0 KKAFRO Clc1ccc2c(c1)nccc2NCCCCCC[NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000027433058 561859575 /nfs/dbraw/zinc/85/95/75/561859575.db2.gz GHMZAGGRDVKUQN-UHFFFAOYSA-N 1 0 538.567 8.324 1 0 KKAFRO CN(C)C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027521995 561864347 /nfs/dbraw/zinc/86/43/47/561864347.db2.gz SDQYFCQKLHFFCE-CCWLOGDZSA-N 1 0 530.672 5.397 1 0 KKAFRO O=C(Nc1ccc(F)cc1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441872 561860844 /nfs/dbraw/zinc/86/08/44/561860844.db2.gz WSXDSEMULMKBGL-OAQYLSRUSA-N 1 0 604.318 5.669 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441524 561860873 /nfs/dbraw/zinc/86/08/73/561860873.db2.gz BPJQTFBWWDTAEA-RUZDIDTESA-N 1 0 620.476 6.837 1 0 KKAFRO COc1ccc([C@@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c(OC)c1OC ZINC000027517292 561861072 /nfs/dbraw/zinc/86/10/72/561861072.db2.gz CJQIMLAPDUEUTH-RUZDIDTESA-N 1 0 631.658 6.100 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000027517429 561861196 /nfs/dbraw/zinc/86/11/96/561861196.db2.gz LPFASJPXYLLRNZ-UUFSERMRSA-N 1 0 531.656 5.790 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc([C@H](C)CCNC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027517712 561861393 /nfs/dbraw/zinc/86/13/93/561861393.db2.gz UYXYJFILVNTMMW-BOGJOCPPSA-N 1 0 603.188 6.049 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517880 561861585 /nfs/dbraw/zinc/86/15/85/561861585.db2.gz KPEUXZLNLIVUIN-XMMPIXPASA-N 1 0 644.915 8.035 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(Cl)ncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518098 561861820 /nfs/dbraw/zinc/86/18/20/561861820.db2.gz SPBRJOCVURJOMU-IBGZPJMESA-N 1 0 566.489 6.072 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCCNC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027518239 561862044 /nfs/dbraw/zinc/86/20/44/561862044.db2.gz UQZAAPHNGQIPOM-IZLXSDGUSA-N 1 0 575.134 5.098 1 0 KKAFRO CN(C[C@H](c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518299 561862137 /nfs/dbraw/zinc/86/21/37/561862137.db2.gz WTFDZBOBFSIEHU-AREMUKBSSA-N 1 0 613.643 6.188 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2c1OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000027518334 561862173 /nfs/dbraw/zinc/86/21/73/561862173.db2.gz NRUOJZQFHLBZAO-XMMPIXPASA-N 1 0 585.589 5.803 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccccc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518516 561862443 /nfs/dbraw/zinc/86/24/43/561862443.db2.gz IKLSMBSHBLSZOC-RUZDIDTESA-N 1 0 620.476 6.837 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000027518779 561862638 /nfs/dbraw/zinc/86/26/38/561862638.db2.gz FMTGTQYIPPNOGJ-JFRINNALSA-N 1 0 531.656 5.790 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ncccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027519045 561862925 /nfs/dbraw/zinc/86/29/25/561862925.db2.gz KTRBCNGXJBQPOU-FQEVSTJZSA-N 1 0 532.044 5.419 1 0 KKAFRO CCc1ccccc1-c1ccc(C(=O)N[C@H](/C=C/c2ccccc2)[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000027519486 561863163 /nfs/dbraw/zinc/86/31/63/561863163.db2.gz KJRMSZFCCVITKM-YCKQIAHZSA-N 1 0 545.683 6.044 1 0 KKAFRO COC[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027519913 561863284 /nfs/dbraw/zinc/86/32/84/561863284.db2.gz ZWTFULMWPLLWNJ-AWALLWLZSA-N 1 0 503.646 5.955 1 0 KKAFRO CC[C@H](C)N(C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@@H]1CCCC[NH2+]1)[C@@H](C)CC ZINC000027520146 561863395 /nfs/dbraw/zinc/86/33/95/561863395.db2.gz YXRWQRQZSUPRFI-LSQMVHIFSA-N 1 0 566.186 7.416 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)on1 ZINC000027520688 561863796 /nfs/dbraw/zinc/86/37/96/561863796.db2.gz YPAPRBRATLYPAO-HXUWFJFHSA-N 1 0 535.044 5.925 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([NH2+]Cc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524476 561865676 /nfs/dbraw/zinc/86/56/76/561865676.db2.gz VFQLHOJNCNGPIK-AREMUKBSSA-N 1 0 501.552 6.585 1 0 KKAFRO C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCOC(c1ccccc1)c1ccccc1 ZINC000027524455 561865714 /nfs/dbraw/zinc/86/57/14/561865714.db2.gz LIDYDSLIYWWVDI-RNPORBBMSA-N 1 0 534.744 6.993 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027526758 561866359 /nfs/dbraw/zinc/86/63/59/561866359.db2.gz QFTDSPKCTARVTE-NHZFLZHXSA-N 1 0 673.924 5.785 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2[C@H](Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1 ZINC000027527247 561866800 /nfs/dbraw/zinc/86/68/00/561866800.db2.gz OYBVZJCDJJMVCO-GDLZYMKVSA-N 1 0 539.572 7.945 1 0 KKAFRO C[C@H](CCc1ccccc1)N1CCN([C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1=O ZINC000027555656 561869452 /nfs/dbraw/zinc/86/94/52/561869452.db2.gz ZVXCIRLZARDKCY-RMDVPPNSSA-N 1 0 603.808 5.354 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633593 561874135 /nfs/dbraw/zinc/87/41/35/561874135.db2.gz UMLDLWMDFVEGKD-HKFHRXRESA-N 1 0 675.940 5.417 1 0 KKAFRO C[NH+](C)Cc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F ZINC000027562482 561871020 /nfs/dbraw/zinc/87/10/20/561871020.db2.gz QSCMMQVEIMKWOL-UHFFFAOYSA-N 1 0 560.573 5.415 1 0 KKAFRO CCOP(=O)(OCC)OC1=CC[N@H+](Cc2ccccc2)C[C@@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564673 561871934 /nfs/dbraw/zinc/87/19/34/561871934.db2.gz UMICGKRYLVIYSJ-VWLOTQADSA-N 1 0 554.624 7.181 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1 ZINC000027630992 561873844 /nfs/dbraw/zinc/87/38/44/561873844.db2.gz AAQGLVFLWHWSKW-XIFFEERXSA-N 1 0 677.912 5.343 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(Oc2ccccc2)c1 ZINC000027643476 561875547 /nfs/dbraw/zinc/87/55/47/561875547.db2.gz NIQMZABATFQIMI-UHFFFAOYSA-N 1 0 558.126 5.920 1 0 KKAFRO O=C(/C=C/c1ccc(-c2ccccc2)nc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027649621 561876441 /nfs/dbraw/zinc/87/64/41/561876441.db2.gz KITJHWWPYQKUFJ-XUTLUUPISA-N 1 0 530.716 6.065 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccn3)cc1)CC2 ZINC000027655231 561877275 /nfs/dbraw/zinc/87/72/75/561877275.db2.gz DIDZZFWLAIYTKE-UHFFFAOYSA-N 1 0 536.632 5.204 1 0 KKAFRO CCCOc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027654715 561877289 /nfs/dbraw/zinc/87/72/89/561877289.db2.gz IGKPCPCXJOGZDF-BMRADRMJSA-N 1 0 512.698 5.187 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc1)CC2 ZINC000027656133 561877532 /nfs/dbraw/zinc/87/75/32/561877532.db2.gz BSJNRONUCRMMKI-UHFFFAOYSA-N 1 0 525.605 5.402 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000027656335 561877690 /nfs/dbraw/zinc/87/76/90/561877690.db2.gz XRSLJIPNGLZJND-XIFFEERXSA-N 1 0 655.328 7.235 1 0 KKAFRO O=c1cc(NCCC[NH2+]Cc2cc(Br)cc(Br)c2OCC(F)(F)F)[nH]c2ccccc12 ZINC000027722023 561880618 /nfs/dbraw/zinc/88/06/18/561880618.db2.gz QMCFVZYWHCGGJD-UHFFFAOYSA-N 1 0 563.212 5.586 1 0 KKAFRO Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(CN(Cc3ccccc3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027767600 561884744 /nfs/dbraw/zinc/88/47/44/561884744.db2.gz BMDSNPDWLYBFNN-UHFFFAOYSA-N 1 0 590.734 6.585 1 0 KKAFRO Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(CN(Cc3cccc(C(F)(F)F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027845339 561885566 /nfs/dbraw/zinc/88/55/66/561885566.db2.gz CXGJDODPTMVVDT-UHFFFAOYSA-N 1 0 658.731 7.604 1 0 KKAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCC(C3CCCCC3)CC1)c1ccccc1S2 ZINC000027861902 561887095 /nfs/dbraw/zinc/88/70/95/561887095.db2.gz WFCMZKJJIDHGFI-UHFFFAOYSA-N 1 0 513.773 6.222 1 0 KKAFRO CCC[NH+](CCC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027864926 561887562 /nfs/dbraw/zinc/88/75/62/561887562.db2.gz KFFUJJZHHFGBET-CZNDPXEESA-N 1 0 616.250 5.053 1 0 KKAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCC(Cc3ccccc3)CC1)c1ccccc1S2 ZINC000027868321 561887933 /nfs/dbraw/zinc/88/79/33/561887933.db2.gz NSDBRWVOMFLMCQ-UHFFFAOYSA-N 1 0 521.752 5.884 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027873488 561888506 /nfs/dbraw/zinc/88/85/06/561888506.db2.gz NWCUUOGWZUGPHL-UHFFFAOYSA-N 1 0 672.229 7.436 1 0 KKAFRO C[NH+](C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 ZINC000027875104 561888516 /nfs/dbraw/zinc/88/85/16/561888516.db2.gz SNPYJRUVKZQNQP-UHFFFAOYSA-N 1 0 575.112 7.331 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2Cc3ccc(CN4CCC([NH+]5CCCCC5)CC4)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000027877854 561888796 /nfs/dbraw/zinc/88/87/96/561888796.db2.gz BAZKFNFCVFOMJT-UHFFFAOYSA-N 1 0 698.311 8.720 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000027901484 561891006 /nfs/dbraw/zinc/89/10/06/561891006.db2.gz XWSMFYRZZIFQGL-WUXOVTSDSA-N 1 0 669.836 8.961 1 0 KKAFRO COC(=O)c1nc2cc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5CC6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)ccc2[nH]1 ZINC000027979572 561891401 /nfs/dbraw/zinc/89/14/01/561891401.db2.gz VUEWGUYETSYJTE-WPCLDFDBSA-N 1 0 659.875 7.729 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)OCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027979339 561891477 /nfs/dbraw/zinc/89/14/77/561891477.db2.gz FCBBIBBWMCTBQW-XIFFEERXSA-N 1 0 627.565 6.256 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3n[nH]cc3c2)c1 ZINC000027987980 561892521 /nfs/dbraw/zinc/89/25/21/561892521.db2.gz HNWGZOZYFMWZDL-IGBPDSSZSA-N 1 0 601.839 7.942 1 0 KKAFRO Cc1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000027992498 561893207 /nfs/dbraw/zinc/89/32/07/561893207.db2.gz IIAGAEWFOBXRFD-HKBQPEDESA-N 1 0 566.529 5.536 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(C[S@](=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997749 561894158 /nfs/dbraw/zinc/89/41/58/561894158.db2.gz LQSUAQGHNGOZSB-VZLLUSIKSA-N 1 0 659.632 5.890 1 0 KKAFRO CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027998152 561894160 /nfs/dbraw/zinc/89/41/60/561894160.db2.gz ZAKTWWFGZWYSQC-XHTFZTLQSA-N 1 0 573.844 5.010 1 0 KKAFRO COc1ccc(OCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007001 561895798 /nfs/dbraw/zinc/89/57/98/561895798.db2.gz WHCGPGKLISUXOR-XIFFEERXSA-N 1 0 591.774 5.499 1 0 KKAFRO COc1ccc(-c2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 ZINC000028008611 561896108 /nfs/dbraw/zinc/89/61/08/561896108.db2.gz ZZHYYHDLFCTNSX-LTXBTDFWSA-N 1 0 574.741 6.153 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028010739 561896285 /nfs/dbraw/zinc/89/62/85/561896285.db2.gz MDTAKMHHAHITNR-ONPYCXCXSA-N 1 0 560.758 6.027 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011422 561896391 /nfs/dbraw/zinc/89/63/91/561896391.db2.gz NFDIIEKBTXCQDG-YTTGMZPUSA-N 1 0 580.747 6.212 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011952 561896498 /nfs/dbraw/zinc/89/64/98/561896498.db2.gz VRSATUGIONHPSW-SSEXGKCCSA-N 1 0 536.694 5.813 1 0 KKAFRO CC(C)(c1c[nH]nc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000028012888 561896754 /nfs/dbraw/zinc/89/67/54/561896754.db2.gz GHILCKDNBGGCIM-JUERCWOXSA-N 1 0 568.806 6.664 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028014522 561897192 /nfs/dbraw/zinc/89/71/92/561897192.db2.gz POOMWRWFJAPJOF-NRFANRHFSA-N 1 0 517.522 6.284 1 0 KKAFRO COc1cccc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028015668 561897298 /nfs/dbraw/zinc/89/72/98/561897298.db2.gz GUUBAKCFURYWAZ-HKBQPEDESA-N 1 0 580.556 5.695 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028018746 561898002 /nfs/dbraw/zinc/89/80/02/561898002.db2.gz CJYZOGUCFFILDE-VOTWKOMSSA-N 1 0 554.779 6.123 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028020932 561898349 /nfs/dbraw/zinc/89/83/49/561898349.db2.gz BLLRESRTLSJGCS-FCWLVIOWSA-N 1 0 630.849 6.960 1 0 KKAFRO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022949 561898791 /nfs/dbraw/zinc/89/87/91/561898791.db2.gz ZDKXQXAQSWXSLV-LOZBNSEJSA-N 1 0 664.888 5.965 1 0 KKAFRO CC(=O)N1c2ccccc2S[C@@H]1c1cc(Cl)ccc1OCCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000028022473 561898856 /nfs/dbraw/zinc/89/88/56/561898856.db2.gz HZANWEFMNDFKST-WJOKGBTCSA-N 1 0 549.136 7.251 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 ZINC000028090633 561899831 /nfs/dbraw/zinc/89/98/31/561899831.db2.gz ZQXTYFUVNQBWKC-OAQYLSRUSA-N 1 0 517.522 6.284 1 0 KKAFRO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095039 561900671 /nfs/dbraw/zinc/90/06/71/561900671.db2.gz YYKXMAVSPFGIFC-HMQVCXRFSA-N 1 0 604.811 6.426 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000028095277 561900837 /nfs/dbraw/zinc/90/08/37/561900837.db2.gz JUFZAZPBSPFLIO-ZEQKJWHPSA-N 1 0 534.595 5.387 1 0 KKAFRO CC(=[NH2+])NCc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1 ZINC000028098548 561901208 /nfs/dbraw/zinc/90/12/08/561901208.db2.gz FFYARTBJFPGFQN-UHFFFAOYSA-N 1 0 532.431 6.647 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000028100118 561901327 /nfs/dbraw/zinc/90/13/27/561901327.db2.gz JBIFABOLUMVXGZ-UHFFFAOYSA-N 1 0 546.458 5.970 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099428 561901396 /nfs/dbraw/zinc/90/13/96/561901396.db2.gz FAZPCIDHXLZGET-MQMFKJKRSA-N 1 0 628.755 7.046 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028100279 561901419 /nfs/dbraw/zinc/90/14/19/561901419.db2.gz VRGCBLCNWHWXFW-JYFHCDHNSA-N 1 0 584.602 6.267 1 0 KKAFRO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028100405 561901543 /nfs/dbraw/zinc/90/15/43/561901543.db2.gz GVWWVDUMZPBPEO-MKJJNCKNSA-N 1 0 700.921 6.860 1 0 KKAFRO COc1ccc(CC(C)(C)[NH2+]C[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC ZINC000028103959 561901999 /nfs/dbraw/zinc/90/19/99/561901999.db2.gz GHOOLNQEESNSKW-OAQYLSRUSA-N 1 0 507.656 5.173 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018010 561897854 /nfs/dbraw/zinc/89/78/54/561897854.db2.gz IIVZUBFHVGRROU-KUYURNMDSA-N 1 0 560.758 6.027 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000028118220 561904109 /nfs/dbraw/zinc/90/41/09/561904109.db2.gz JFXCXQOKAKRIBF-NRFANRHFSA-N 1 0 571.515 7.258 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028117779 561904131 /nfs/dbraw/zinc/90/41/31/561904131.db2.gz OYAAORMDJYHTDT-FQEVSTJZSA-N 1 0 639.512 8.277 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028128272 561905227 /nfs/dbraw/zinc/90/52/27/561905227.db2.gz ZXOCLNODMLUZQA-OFSOJUDTSA-N 1 0 547.721 5.139 1 0 KKAFRO CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000028134636 561906322 /nfs/dbraw/zinc/90/63/22/561906322.db2.gz FCAGYEYOXSPEMM-MHZLTWQESA-N 1 0 541.758 6.270 1 0 KKAFRO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136686 561906788 /nfs/dbraw/zinc/90/67/88/561906788.db2.gz SXVLTSDSQOWRHK-NSOVKSMOSA-N 1 0 569.190 5.308 1 0 KKAFRO C[N@H+](CCc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109991 561902923 /nfs/dbraw/zinc/90/29/23/561902923.db2.gz LRGAOOBYJCRZOE-YTTGMZPUSA-N 1 0 586.761 7.719 1 0 KKAFRO COc1ccc(CN(CC[N@H+](C)CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2ccccn2)cc1 ZINC000028250258 561911030 /nfs/dbraw/zinc/91/10/30/561911030.db2.gz UOCSMPABENXVNX-UHFFFAOYSA-N 1 0 603.833 5.787 1 0 KKAFRO Cc1c(-c2ccc3ccccc3c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028259182 561911998 /nfs/dbraw/zinc/91/19/98/561911998.db2.gz AFCPJYKILBIDSA-UHFFFAOYSA-N 1 0 540.614 5.035 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]Cc3sccc3C)c2=O)c1F ZINC000028260571 561912023 /nfs/dbraw/zinc/91/20/23/561912023.db2.gz UOSJSHOYCNDHMM-KRWDZBQOSA-N 1 0 543.611 5.008 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028331754 561912809 /nfs/dbraw/zinc/91/28/09/561912809.db2.gz WDFDGFCIBCYBLV-SANMLTNESA-N 1 0 513.654 5.687 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235016 561909529 /nfs/dbraw/zinc/90/95/29/561909529.db2.gz FKXFKQBEFHBWQP-NPBSGPTKSA-N 1 0 542.686 6.769 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[C@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234829 561909554 /nfs/dbraw/zinc/90/95/54/561909554.db2.gz NMMHDJMVQJIRJO-QGBBYCRPSA-N 1 0 540.695 5.502 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](CCCc4ccccc4)CC3)cc21 ZINC000028236985 561909919 /nfs/dbraw/zinc/90/99/19/561909919.db2.gz SXPVEQLLRJHNKT-SAPNQHFASA-N 1 0 507.678 5.739 1 0 KKAFRO CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028357042 561916310 /nfs/dbraw/zinc/91/63/10/561916310.db2.gz XYYNLEJRRLRZEI-UHFFFAOYSA-N 1 0 524.627 6.663 1 0 KKAFRO O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028358191 561916462 /nfs/dbraw/zinc/91/64/62/561916462.db2.gz JBZYNUVBPMFUDV-NDEPHWFRSA-N 1 0 618.576 5.247 1 0 KKAFRO CC(C)(C)c1cc(NC[C@@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366380 561917614 /nfs/dbraw/zinc/91/76/14/561917614.db2.gz MJMXIIYEHCGCCI-WJOKGBTCSA-N 1 0 607.830 7.268 1 0 KKAFRO CCOC(=O)Nc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1 ZINC000028372424 561918551 /nfs/dbraw/zinc/91/85/51/561918551.db2.gz BWWNTFMNRAJKPR-SANMLTNESA-N 1 0 617.678 5.704 1 0 KKAFRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028379765 561919999 /nfs/dbraw/zinc/91/99/99/561919999.db2.gz PCTMLMXARAILHB-UHFFFAOYSA-N 1 0 680.152 7.270 1 0 KKAFRO C[N@H+](CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cc(Br)cc(Br)c1 ZINC000028389004 561921790 /nfs/dbraw/zinc/92/17/90/561921790.db2.gz AJILZZZNOGMEMD-UHFFFAOYSA-N 1 0 523.191 5.874 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028389515 561921902 /nfs/dbraw/zinc/92/19/02/561921902.db2.gz OIBIRLPEUOHWSH-UHFFFAOYSA-N 1 0 540.007 5.218 1 0 KKAFRO Cc1c(-c2csc(NCc3ccccc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028390648 561922064 /nfs/dbraw/zinc/92/20/64/561922064.db2.gz ZKWZMMLVLFTSMN-VWLOTQADSA-N 1 0 559.642 5.081 1 0 KKAFRO COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1OC ZINC000028390062 561922069 /nfs/dbraw/zinc/92/20/69/561922069.db2.gz MZMVVTBQBJZMOD-DEOSSOPVSA-N 1 0 605.667 5.229 1 0 KKAFRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc21 ZINC000028390801 561922235 /nfs/dbraw/zinc/92/22/35/561922235.db2.gz IHFBRYYYBVDFPB-WJOKGBTCSA-N 1 0 539.724 6.137 1 0 KKAFRO COc1cccc(CCN(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000028456735 561923930 /nfs/dbraw/zinc/92/39/30/561923930.db2.gz HHTPWYWUDWMRCO-LYBHJNIJSA-N 1 0 580.772 7.979 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460095 561924940 /nfs/dbraw/zinc/92/49/40/561924940.db2.gz JPRKCJZGKZFHOW-HTZVEHDQSA-N 1 0 609.167 6.235 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028463878 561925935 /nfs/dbraw/zinc/92/59/35/561925935.db2.gz WETYFBSRFBUFCI-KSMSDSDGSA-N 1 0 621.178 6.015 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000028464386 561926025 /nfs/dbraw/zinc/92/60/25/561926025.db2.gz MRFZKAWUCKFKJV-JBOQNHBVSA-N 1 0 607.239 5.343 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc21 ZINC000028474377 561927580 /nfs/dbraw/zinc/92/75/80/561927580.db2.gz HWKKZBCQXGBFOY-JOCHJYFZSA-N 1 0 510.509 6.253 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ccccc2c1 ZINC000028474819 561927764 /nfs/dbraw/zinc/92/77/64/561927764.db2.gz DKULALWWMCGWHM-QFIPXVFZSA-N 1 0 510.509 6.253 1 0 KKAFRO CC(C)(C)c1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028476783 561928218 /nfs/dbraw/zinc/92/82/18/561928218.db2.gz SKFPWOHYDHHLKH-SSEXGKCCSA-N 1 0 518.790 7.095 1 0 KKAFRO O=C([C@@H](Cc1ccc(Cl)cc1Cl)NCc1nccs1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028477755 561928703 /nfs/dbraw/zinc/92/87/03/561928703.db2.gz ZTOWELBACSHINK-HHHXNRCGSA-N 1 0 614.668 5.893 1 0 KKAFRO COc1ccc([C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523053 561929850 /nfs/dbraw/zinc/92/98/50/561929850.db2.gz JOZOHPBCAIWMKA-VWLOTQADSA-N 1 0 504.597 5.527 1 0 KKAFRO COc1ccccc1NC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523629 561930238 /nfs/dbraw/zinc/93/02/38/561930238.db2.gz PJECWHFRADOJNA-XMMPIXPASA-N 1 0 504.597 5.527 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523614 561930240 /nfs/dbraw/zinc/93/02/40/561930240.db2.gz OJLKWDKIHVBWDG-AARCXHMLSA-N 1 0 542.768 6.278 1 0 KKAFRO O=C(CNc1nccc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000028523542 561930254 /nfs/dbraw/zinc/93/02/54/561930254.db2.gz MZTBFGORJVNOCH-UHFFFAOYSA-N 1 0 518.543 5.381 1 0 KKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028525747 561931633 /nfs/dbraw/zinc/93/16/33/561931633.db2.gz XFQGWDFMPJLCBW-UHFFFAOYSA-N 1 0 509.404 5.562 1 0 KKAFRO Cc1cccc2c(C(=O)C(C)(C)CSc3nnc(-c4ccc5ccccc5n4)n3CCCC[NH3+])c[nH]c21 ZINC000028469486 561926748 /nfs/dbraw/zinc/92/67/48/561926748.db2.gz KUBQRJPRVKMHHM-UHFFFAOYSA-N 1 0 512.683 6.023 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000028528488 561933188 /nfs/dbraw/zinc/93/31/88/561933188.db2.gz MALUGQRWPSHGBG-SSEXGKCCSA-N 1 0 553.168 5.821 1 0 KKAFRO C[C@H]1CCN(C(=O)C2CCCCC2)c2c(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cccc21 ZINC000028528903 561933455 /nfs/dbraw/zinc/93/34/55/561933455.db2.gz NUULIEKFIPBBLV-QFIPXVFZSA-N 1 0 502.728 6.082 1 0 KKAFRO CC(C)(C)[NH+]1CCC(Oc2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028564999 561935864 /nfs/dbraw/zinc/93/58/64/561935864.db2.gz HPJNBQKLMBQDMQ-UHFFFAOYSA-N 1 0 555.933 8.260 1 0 KKAFRO Cc1cc(NCC(C)(C)C[NH+](C)C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028569517 561938183 /nfs/dbraw/zinc/93/81/83/561938183.db2.gz YCMLUYXNNCQCLL-UHFFFAOYSA-N 1 0 504.553 5.459 1 0 KKAFRO Cc1ccccc1-c1cnc(N2CC[NH+](C)CC2)cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571760 561939514 /nfs/dbraw/zinc/93/95/14/561939514.db2.gz FMOSQGKXVTZCKM-UHFFFAOYSA-N 1 0 578.601 6.787 1 0 KKAFRO O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2cc(C[NH2+]C3CCC3)ccc21 ZINC000028572594 561940325 /nfs/dbraw/zinc/94/03/25/561940325.db2.gz VSXMYZZRQPYSFV-RPLLCQBOSA-N 1 0 563.686 5.475 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000028604112 561940593 /nfs/dbraw/zinc/94/05/93/561940593.db2.gz KONFIVQSOWLBHD-WEVVVXLNSA-N 1 0 591.889 6.815 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639093 561942444 /nfs/dbraw/zinc/94/24/44/561942444.db2.gz WWSDSWXELJSXQW-CCEZHUSRSA-N 1 0 617.736 5.424 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000028643044 561944032 /nfs/dbraw/zinc/94/40/32/561944032.db2.gz ITMDLIOIWKXESR-CLJLJLNGSA-N 1 0 608.563 6.070 1 0 KKAFRO Fc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028646174 561944814 /nfs/dbraw/zinc/94/48/14/561944814.db2.gz KNBPAEKLDLQFCP-PSXMRANNSA-N 1 0 550.766 6.483 1 0 KKAFRO CS(=O)(=O)[C@H]1CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000028710038 561950857 /nfs/dbraw/zinc/95/08/57/561950857.db2.gz XTQWBGVHINEJTO-MHZLTWQESA-N 1 0 521.679 6.183 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710172 561951006 /nfs/dbraw/zinc/95/10/06/561951006.db2.gz IOQFNNLRGSGBGO-UHFFFAOYSA-N 1 0 511.710 6.189 1 0 KKAFRO Cc1ccccc1N1CC[NH+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 ZINC000028702697 561947184 /nfs/dbraw/zinc/94/71/84/561947184.db2.gz KOWXOUSZBZVURT-NRFANRHFSA-N 1 0 585.618 5.684 1 0 KKAFRO CC(C)(C)C(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702803 561947329 /nfs/dbraw/zinc/94/73/29/561947329.db2.gz GXGLYUCMSMBLFQ-VWLOTQADSA-N 1 0 654.721 7.835 1 0 KKAFRO CC(C)(C)OC(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702838 561947485 /nfs/dbraw/zinc/94/74/85/561947485.db2.gz PQJGXJKQGVLLQQ-VWLOTQADSA-N 1 0 670.720 8.197 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702902 561947503 /nfs/dbraw/zinc/94/75/03/561947503.db2.gz UXWASFWFYFPAIK-JNMXXNFJSA-N 1 0 726.787 8.459 1 0 KKAFRO CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704044 561948098 /nfs/dbraw/zinc/94/80/98/561948098.db2.gz QSNHVAXPYDEWER-DAORKYKSSA-N 1 0 596.681 7.549 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028703990 561948106 /nfs/dbraw/zinc/94/81/06/561948106.db2.gz MGXIAUQCPAQVBR-VKYMOPELSA-N 1 0 536.560 6.816 1 0 KKAFRO CCCCCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704025 561948115 /nfs/dbraw/zinc/94/81/15/561948115.db2.gz PZTOZWZKJLRLIC-SYLCWCOESA-N 1 0 620.722 9.156 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@](CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704074 561948237 /nfs/dbraw/zinc/94/82/37/561948237.db2.gz CDCVHCPYWPPPPI-ISBWIJSYSA-N 1 0 554.672 7.496 1 0 KKAFRO CCCCCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704080 561948262 /nfs/dbraw/zinc/94/82/62/561948262.db2.gz FONMXWMXXFXJLM-SYLCWCOESA-N 1 0 570.715 8.277 1 0 KKAFRO CCCCCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704084 561948282 /nfs/dbraw/zinc/94/82/82/561948282.db2.gz FONMXWMXXFXJLM-SVVQVXAZSA-N 1 0 570.715 8.277 1 0 KKAFRO CC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704054 561948300 /nfs/dbraw/zinc/94/83/00/561948300.db2.gz WZPMKCZRNPIWHY-JHYPHSFXSA-N 1 0 514.607 6.716 1 0 KKAFRO C[N@@H+]1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704234 561948420 /nfs/dbraw/zinc/94/84/20/561948420.db2.gz QKCWJUZPSFBAKW-UHFFFAOYSA-N 1 0 505.865 5.601 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704247 561948538 /nfs/dbraw/zinc/94/85/38/561948538.db2.gz RSPHCRBPUSTDAH-MHZLTWQESA-N 1 0 568.139 5.631 1 0 KKAFRO COc1cccc(-c2ccc(C[NH+]3CCC4(CC3)C(=O)N(c3cccc(OC)c3)C(=O)N4Cc3ccccc3F)cc2)c1 ZINC000028704526 561948709 /nfs/dbraw/zinc/94/87/09/561948709.db2.gz YPWCWAUPZNYIAK-UHFFFAOYSA-N 1 0 579.672 6.514 1 0 KKAFRO Cc1cccn2cc(-c3ccc(OCCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12 ZINC000028711435 561951943 /nfs/dbraw/zinc/95/19/43/561951943.db2.gz FBEPBNQZIQSTRT-UHFFFAOYSA-N 1 0 509.481 6.598 1 0 KKAFRO CC[NH2+]Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028758661 561957380 /nfs/dbraw/zinc/95/73/80/561957380.db2.gz FIOVEPSFQNCRNF-UHFFFAOYSA-N 1 0 561.568 6.208 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1 ZINC000028711688 561952330 /nfs/dbraw/zinc/95/23/30/561952330.db2.gz OCWATCTYAJGRBW-WJOKGBTCSA-N 1 0 644.882 5.316 1 0 KKAFRO Cc1ccc2c(c1)N(c1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711875 561952413 /nfs/dbraw/zinc/95/24/13/561952413.db2.gz HZDXXQUJKUTOOT-PMERELPUSA-N 1 0 537.708 6.975 1 0 KKAFRO Cn1cc(NC(=O)c2cc(NC(=O)CCCN3c4ccccc4C=Cc4ccccc43)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028711788 561952434 /nfs/dbraw/zinc/95/24/34/561952434.db2.gz QNLHAHRONGKKGV-UHFFFAOYSA-N 1 0 607.759 5.338 1 0 KKAFRO COCC[N@@H+]1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711920 561952435 /nfs/dbraw/zinc/95/24/35/561952435.db2.gz BEASFCMYLAUGDO-JOCHJYFZSA-N 1 0 502.058 6.051 1 0 KKAFRO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](C(C)C)C(C)C)c(I)c1 ZINC000028712356 561952961 /nfs/dbraw/zinc/95/29/61/561952961.db2.gz WDKRVZSIWJXHGX-UHFFFAOYSA-N 1 0 673.373 7.713 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+]([C@@H](C)CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712506 561953002 /nfs/dbraw/zinc/95/30/02/561953002.db2.gz BZIIORPIORBBJU-QHCPKHFHSA-N 1 0 551.764 6.019 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc5nc(C)c(C)nc5c4)n2C)CC3)no1 ZINC000028712464 561953006 /nfs/dbraw/zinc/95/30/06/561953006.db2.gz VSUKSHADZRDBII-UHFFFAOYSA-N 1 0 539.709 5.589 1 0 KKAFRO CCC[N@@H+]1C[C@@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@@H]2C1 ZINC000028713127 561953729 /nfs/dbraw/zinc/95/37/29/561953729.db2.gz PWXYVVOGSGGNIT-MJGOQNOKSA-N 1 0 510.874 6.092 1 0 KKAFRO CC(C)(C)C(=O)[C@@H](C(=O)N1CCC(CC[NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713349 561953962 /nfs/dbraw/zinc/95/39/62/561953962.db2.gz PXNIRIADSDYIAW-YWIYQGBMSA-N 1 0 654.852 5.571 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CC(=O)N1CCC(CC[NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000028713498 561954084 /nfs/dbraw/zinc/95/40/84/561954084.db2.gz HKPLAUMYFHPXIC-ZPAYKBDGSA-N 1 0 731.938 6.223 1 0 KKAFRO CC[N@@H+]1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713636 561954104 /nfs/dbraw/zinc/95/41/04/561954104.db2.gz CIBAYWPDYJITNN-LJQANCHMSA-N 1 0 526.002 7.135 1 0 KKAFRO CC[NH+](CC)Cc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028759455 561957609 /nfs/dbraw/zinc/95/76/09/561957609.db2.gz GQKXOJRQOKAXGZ-UHFFFAOYSA-N 1 0 500.434 6.306 1 0 KKAFRO CN(CCC[N@H+](C)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000028772228 561961646 /nfs/dbraw/zinc/96/16/46/561961646.db2.gz JCKMBTJHPDQUEA-UHFFFAOYSA-N 1 0 628.685 5.631 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCC[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816372 561964011 /nfs/dbraw/zinc/96/40/11/561964011.db2.gz QHAZNMQKEAZESL-KXQOOQHDSA-N 1 0 588.836 8.093 1 0 KKAFRO C[C@H]1C[C@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816545 561964257 /nfs/dbraw/zinc/96/42/57/561964257.db2.gz XUGYKOAXOOAKME-YWFGUESBSA-N 1 0 610.167 6.378 1 0 KKAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817305 561964663 /nfs/dbraw/zinc/96/46/63/561964663.db2.gz KTRQMFTUNYZEES-BMPTZRATSA-N 1 0 685.878 5.196 1 0 KKAFRO CC(=O)c1sc(NC(=O)N2CN(C(=O)OC(C)(C)C)C[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)nc1C ZINC000028821848 561966556 /nfs/dbraw/zinc/96/65/56/561966556.db2.gz QJHFMHUMMDKHPX-QHCPKHFHSA-N 1 0 559.708 5.159 1 0 KKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)C[C@@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822152 561966689 /nfs/dbraw/zinc/96/66/89/561966689.db2.gz GTWJLVCVJTUVNI-CUNXSJBXSA-N 1 0 536.655 6.381 1 0 KKAFRO COc1cc(-c2csc3c2c(N)ncc3NC(=O)CC[NH+]2CCCC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822571 561967358 /nfs/dbraw/zinc/96/73/58/561967358.db2.gz FBPGKQDWCDVDJX-UHFFFAOYSA-N 1 0 568.703 5.723 1 0 KKAFRO O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C2(C[NH+]3CCCC3)CC2)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822897 561967642 /nfs/dbraw/zinc/96/76/42/561967642.db2.gz NVXXNOPBCMKLSI-IZZNHLLZSA-N 1 0 519.089 5.420 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)C24CC5CC(CC(C5)C2)C4)CC3)c1 ZINC000028823025 561967720 /nfs/dbraw/zinc/96/77/20/561967720.db2.gz DBZQPMXYZLHNKR-RPFINBQBSA-N 1 0 550.791 6.730 1 0 KKAFRO CC(=O)Nc1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823410 561968102 /nfs/dbraw/zinc/96/81/02/561968102.db2.gz ZFHQHJWWOYZMOB-UHFFFAOYSA-N 1 0 574.814 7.149 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@@H]([NH3+])CC(C)C)c1 ZINC000028823891 561968569 /nfs/dbraw/zinc/96/85/69/561968569.db2.gz UINUKESLPATVPH-AHKZPQOWSA-N 1 0 545.555 5.230 1 0 KKAFRO C[C@H]([NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824130 561968970 /nfs/dbraw/zinc/96/89/70/561968970.db2.gz QTZHZSUFNWXXCM-QHCPKHFHSA-N 1 0 548.131 6.627 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cc(Cl)ccc43)CC2)C1 ZINC000028824426 561969631 /nfs/dbraw/zinc/96/96/31/561969631.db2.gz CBAHBYVRCZJSCQ-HSZRJFAPSA-N 1 0 636.140 5.262 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824402 561969689 /nfs/dbraw/zinc/96/96/89/561969689.db2.gz UICMMSAIQRJHOD-QHCPKHFHSA-N 1 0 647.039 5.006 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825206 561970529 /nfs/dbraw/zinc/97/05/29/561970529.db2.gz YCMNXNTUMHDKAF-KAYWLYCHSA-N 1 0 574.791 5.052 1 0 KKAFRO CC(C)[NH+]1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825262 561970674 /nfs/dbraw/zinc/97/06/74/561970674.db2.gz GFCCHQMIWNOCGS-UHFFFAOYSA-N 1 0 549.115 6.789 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 ZINC000028825775 561970913 /nfs/dbraw/zinc/97/09/13/561970913.db2.gz GWQJQMUYAJRYAV-AHWVRZQESA-N 1 0 565.080 5.287 1 0 KKAFRO CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)ccc1OC ZINC000028825982 561971083 /nfs/dbraw/zinc/97/10/83/561971083.db2.gz YKWPMHDNQNWWAS-UHFFFAOYSA-N 1 0 665.919 8.690 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H](N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 ZINC000028826295 561971306 /nfs/dbraw/zinc/97/13/06/561971306.db2.gz HGTDWWCHSJRKSY-WCRPMOIKSA-N 1 0 590.212 6.479 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 ZINC000028826300 561971391 /nfs/dbraw/zinc/97/13/91/561971391.db2.gz MZAFRLYMPQCVGG-JUDWXZBOSA-N 1 0 529.729 5.400 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827058 561971508 /nfs/dbraw/zinc/97/15/08/561971508.db2.gz BDKKUJXOTBQXCJ-DCRXXXBUSA-N 1 0 578.606 5.669 1 0 KKAFRO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[N@H+](C[C@@H]3CCCN3Cc3ccccn3)C1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973136 /nfs/dbraw/zinc/97/31/36/561973136.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 1 0 689.251 5.320 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c(C(C)C)c1 ZINC000028869475 561973756 /nfs/dbraw/zinc/97/37/56/561973756.db2.gz YVHWUKVWERGOAZ-UUWRZZSWSA-N 1 0 676.820 8.560 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879748 561976518 /nfs/dbraw/zinc/97/65/18/561976518.db2.gz SMFQFPRZNCDEKA-URLMMPGGSA-N 1 0 623.713 6.147 1 0 KKAFRO COc1ccc(-c2ccc(CN(CCC3CC[NH+](Cc4ccc(C)cc4)CC3)C(=O)NC(C)C)cc2)cc1 ZINC000028874260 561975106 /nfs/dbraw/zinc/97/51/06/561975106.db2.gz DIHIAMDVYXDAJW-UHFFFAOYSA-N 1 0 513.726 6.893 1 0 KKAFRO CCC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874676 561975241 /nfs/dbraw/zinc/97/52/41/561975241.db2.gz RYICDTOOZAJHGG-NDEPHWFRSA-N 1 0 507.675 5.230 1 0 KKAFRO CCCNC(=O)c1cccc(-c2cc3c(o2)c(OC)ccc3C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000028878011 561976077 /nfs/dbraw/zinc/97/60/77/561976077.db2.gz CLXDZRSCENQCJO-UHFFFAOYSA-N 1 0 514.622 5.824 1 0 KKAFRO O=C(OC[C@H]1CCC[C@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879030 561976133 /nfs/dbraw/zinc/97/61/33/561976133.db2.gz SAJYZUZYZMJMOG-IXCJQBJRSA-N 1 0 578.150 5.851 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879326 561976279 /nfs/dbraw/zinc/97/62/79/561976279.db2.gz OQRTUCNCZGBLPM-VMPREFPWSA-N 1 0 622.178 6.522 1 0 KKAFRO O=C(OC[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880493 561976769 /nfs/dbraw/zinc/97/67/69/561976769.db2.gz ONCGWUSDKWZDEA-DEOSSOPVSA-N 1 0 550.096 5.076 1 0 KKAFRO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCN(C2CC2)CC1 ZINC000028889720 561978171 /nfs/dbraw/zinc/97/81/71/561978171.db2.gz DRSNERFYQQUTOQ-RBTNQOKQSA-N 1 0 561.101 6.108 1 0 KKAFRO COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](C)c3ccco3)sc21 ZINC000028901692 561980008 /nfs/dbraw/zinc/98/00/08/561980008.db2.gz MNRSOCSLHRGHDZ-SFHVURJKSA-N 1 0 528.074 5.121 1 0 KKAFRO CC[NH+](CC)CCN1CCC(S(=O)(=O)c2ccc(Nc3nnc4cc(-c5cc(O)ccc5Cl)cc(C)c4n3)cc2)CC1 ZINC000028957682 561983229 /nfs/dbraw/zinc/98/32/29/561983229.db2.gz IGLCDBGHDFMOIL-UHFFFAOYSA-N 1 0 609.196 5.683 1 0 KKAFRO CC(C)C[C@H](NS(C)(=O)=O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960171 561983966 /nfs/dbraw/zinc/98/39/66/561983966.db2.gz UMBFVDQXXOOUPO-IARZGTGTSA-N 1 0 643.216 5.768 1 0 KKAFRO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000028961118 561984110 /nfs/dbraw/zinc/98/41/10/561984110.db2.gz XREFQBQBSMEQOG-CWHDFZJVSA-N 1 0 508.706 6.269 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 ZINC000029037690 561988736 /nfs/dbraw/zinc/98/87/36/561988736.db2.gz FTBGPPODBGKCHE-UHFFFAOYSA-N 1 0 537.517 5.908 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000029037704 561988743 /nfs/dbraw/zinc/98/87/43/561988743.db2.gz MHMSYXOVNQSRJW-DEOSSOPVSA-N 1 0 535.566 5.559 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH2+]Cc4ccc(-c5ccccc5)cc4)C3)cc2s1)C1CCCC1 ZINC000028967747 561985383 /nfs/dbraw/zinc/98/53/83/561985383.db2.gz MSWJDHFLZNZLJE-SVBPBHIXSA-N 1 0 552.744 7.379 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(c3cccc(OC)c3)CCCCC2)cc(N2CCCC2=O)c1 ZINC000028978574 561987810 /nfs/dbraw/zinc/98/78/10/561987810.db2.gz WSYWLGZDHCWXRB-JHOUSYSJSA-N 1 0 598.788 5.405 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4nc(-c5ccccc5)n[nH]4)cc3)nc2n1 ZINC000028980039 561988494 /nfs/dbraw/zinc/98/84/94/561988494.db2.gz XCLXTQXITHWASE-UHFFFAOYSA-N 1 0 529.673 6.198 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039280 561989586 /nfs/dbraw/zinc/98/95/86/561989586.db2.gz ZYRXNZKDSLPAJL-SGNDLWITSA-N 1 0 540.095 6.200 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039338 561989729 /nfs/dbraw/zinc/98/97/29/561989729.db2.gz SQWVOXOCDCWIEB-AOHZBQACSA-N 1 0 538.010 5.010 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039324 561989732 /nfs/dbraw/zinc/98/97/32/561989732.db2.gz DIPQOIDSXYFTQU-VXNXHJTFSA-N 1 0 524.027 5.484 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039304 561989760 /nfs/dbraw/zinc/98/97/60/561989760.db2.gz WVBROEUVWQMGAX-JFOBOCPRSA-N 1 0 655.227 5.325 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039322 561989770 /nfs/dbraw/zinc/98/97/70/561989770.db2.gz DIPQOIDSXYFTQU-SGNDLWITSA-N 1 0 524.027 5.484 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000029040106 561990415 /nfs/dbraw/zinc/99/04/15/561990415.db2.gz VNMQSFGXHMQIMW-DEOSSOPVSA-N 1 0 512.538 6.636 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3cccnn3)CC2)C1 ZINC000029041169 561991072 /nfs/dbraw/zinc/99/10/72/561991072.db2.gz OGPSQDZSEDDEAZ-RDGATRHJSA-N 1 0 542.568 6.205 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000029043005 561991816 /nfs/dbraw/zinc/99/18/16/561991816.db2.gz PNFDTYPRKXTXAO-ULNSLHSMSA-N 1 0 592.146 7.166 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029043998 561992217 /nfs/dbraw/zinc/99/22/17/561992217.db2.gz FFQREROPJIWDRY-SANMLTNESA-N 1 0 515.485 5.959 1 0 KKAFRO COc1ccc2c(c1)[nH]cc2C1CC[NH+]([C@H](CO)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000029044831 561992322 /nfs/dbraw/zinc/99/23/22/561992322.db2.gz GHSCWZUANKDCMT-KREPMNCTSA-N 1 0 541.614 5.086 1 0 KKAFRO COCCN(CC(=O)N1CCC[C@@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000029045902 561992736 /nfs/dbraw/zinc/99/27/36/561992736.db2.gz ZGGCVDLJPIVYGN-OZXSUGGESA-N 1 0 504.502 5.317 1 0 KKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc4ncccc43)ccc21 ZINC000029048642 561993724 /nfs/dbraw/zinc/99/37/24/561993724.db2.gz VPSMDKQMHASJCM-DIBXZPPDSA-N 1 0 503.606 5.687 1 0 KKAFRO c1ccc(-c2cc3cnccc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000029048926 561993836 /nfs/dbraw/zinc/99/38/36/561993836.db2.gz XPCKGZDJKQBSHO-UHFFFAOYSA-N 1 0 523.644 6.524 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccnnc2)c1 ZINC000029060364 561995668 /nfs/dbraw/zinc/99/56/68/561995668.db2.gz INQAGAZMKLUCAL-GXUJUKEASA-N 1 0 577.817 7.389 1 0 KKAFRO CO[C@@H]1C[N@H+](C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c2ccc(C)cc2nc1C(C)(C)O ZINC000029128967 562001449 /nfs/dbraw/zinc/00/14/49/562001449.db2.gz NNGIOOYYOUWXAP-PISWEHOVSA-N 1 0 512.492 5.011 1 0 KKAFRO C[NH+](C)CCNC(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125596 561997857 /nfs/dbraw/zinc/99/78/57/561997857.db2.gz PRCLJYOAKPONJM-SSEXGKCCSA-N 1 0 701.242 5.160 1 0 KKAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC000029125853 561998068 /nfs/dbraw/zinc/99/80/68/561998068.db2.gz SJXPIAWTWLDZLQ-HHHXNRCGSA-N 1 0 531.578 5.646 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NCCN3CC[NH+](C)CC3)sc2c1 ZINC000029126366 561998529 /nfs/dbraw/zinc/99/85/29/561998529.db2.gz GAGYRKFYVGPZEX-UHFFFAOYSA-N 1 0 596.679 5.787 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@H+]2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C ZINC000029126853 561999133 /nfs/dbraw/zinc/99/91/33/561999133.db2.gz DOTHXJXYLNKQOQ-UHFFFAOYSA-N 1 0 542.534 5.157 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(N6CCCCC6)oc5cc4CC3)n2C)n1 ZINC000029126901 561999248 /nfs/dbraw/zinc/99/92/48/561999248.db2.gz QWRZAQFQULNINP-UHFFFAOYSA-N 1 0 567.763 6.053 1 0 KKAFRO CCc1noc2cc3c(cc21)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126997 561999375 /nfs/dbraw/zinc/99/93/75/561999375.db2.gz RTMHXVRCXRAHLV-UHFFFAOYSA-N 1 0 512.683 5.625 1 0 KKAFRO Cc1nc2cc3c(c(C)c2o1)CC[N@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127035 561999412 /nfs/dbraw/zinc/99/94/12/561999412.db2.gz COKSKIXACCXTRS-IBGZPJMESA-N 1 0 526.710 6.068 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130307 562002427 /nfs/dbraw/zinc/00/24/27/562002427.db2.gz OWHHSAFAYNBMOB-XNTDXEJSSA-N 1 0 594.658 6.969 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)Cc4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131587 562003195 /nfs/dbraw/zinc/00/31/95/562003195.db2.gz GRPPZHNSLSWJDA-UHFFFAOYSA-N 1 0 582.647 6.498 1 0 KKAFRO Cc1cc(-c2cc(OC(=O)C(C)C)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029136041 562004686 /nfs/dbraw/zinc/00/46/86/562004686.db2.gz NJPLZQBOZXDHLU-UHFFFAOYSA-N 1 0 546.071 6.433 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029213486 562006165 /nfs/dbraw/zinc/00/61/65/562006165.db2.gz TWFDBVKIWAXYPQ-LHEWISCISA-N 1 0 672.830 5.898 1 0 KKAFRO COc1cc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1OC ZINC000029220263 562007079 /nfs/dbraw/zinc/00/70/79/562007079.db2.gz UKLQRRVICLDJKJ-UHFFFAOYSA-N 1 0 594.774 6.104 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 ZINC000029311120 562012018 /nfs/dbraw/zinc/01/20/18/562012018.db2.gz WVEGRPXRCYBMGU-PMERELPUSA-N 1 0 606.651 5.260 1 0 KKAFRO COc1ccccc1[C@H]1C(C(=O)NCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029337947 562014603 /nfs/dbraw/zinc/01/46/03/562014603.db2.gz UEDGMQJSXUGZAH-QHCPKHFHSA-N 1 0 517.482 5.412 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343722 562015828 /nfs/dbraw/zinc/01/58/28/562015828.db2.gz QXIZXTUHGDAAEB-SCNPBXAQSA-N 1 0 695.949 5.797 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[NH+]3CCC4(CC3)c3ccccc3C[C@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029399534 562019495 /nfs/dbraw/zinc/01/94/95/562019495.db2.gz OXPHGFUXQGFKRJ-CYEXUTLASA-N 1 0 655.619 5.728 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029463148 562023420 /nfs/dbraw/zinc/02/34/20/562023420.db2.gz RQVXMBCNJPEXBI-WMPKNSHKSA-N 1 0 522.737 7.015 1 0 KKAFRO Cc1ccc(F)cc1C(=O)N(CCC[NH+](C)C)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 ZINC000029463620 562023547 /nfs/dbraw/zinc/02/35/47/562023547.db2.gz MYQIPKJQALHWKD-UHFFFAOYSA-N 1 0 525.628 5.138 1 0 KKAFRO CC[C@](C)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029464341 562023668 /nfs/dbraw/zinc/02/36/68/562023668.db2.gz DFWLMADCELWCJY-GUOWLCCSSA-N 1 0 576.829 7.823 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029464051 562023725 /nfs/dbraw/zinc/02/37/25/562023725.db2.gz MLPMAZIIWKKUHO-UHFFFAOYSA-N 1 0 594.888 8.420 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029464966 562024071 /nfs/dbraw/zinc/02/40/71/562024071.db2.gz QTIPPFPEAGDDJZ-UHFFFAOYSA-N 1 0 594.888 8.420 1 0 KKAFRO CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1Cl ZINC000029465156 562024201 /nfs/dbraw/zinc/02/42/01/562024201.db2.gz NCLFJOPXKSMXQY-DEOSSOPVSA-N 1 0 536.120 5.402 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000029466604 562024493 /nfs/dbraw/zinc/02/44/93/562024493.db2.gz DGDQFYDLHSUEFE-UHFFFAOYSA-N 1 0 695.349 6.056 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@H+](CCc2ccccc2)CC[C@]314 ZINC000029468654 562025062 /nfs/dbraw/zinc/02/50/62/562025062.db2.gz FJJLQZCJBYGMID-ODRDEDCPSA-N 1 0 523.673 5.318 1 0 KKAFRO CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029472958 562025981 /nfs/dbraw/zinc/02/59/81/562025981.db2.gz NDNGGBBKCQHYHL-UHFFFAOYSA-N 1 0 543.133 7.348 1 0 KKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(COc3cccc(C(F)(F)F)c3)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029483495 562027894 /nfs/dbraw/zinc/02/78/94/562027894.db2.gz BEQQTZVFTYCFLV-SFHVURJKSA-N 1 0 593.568 8.192 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC(C)(C)Cc1ccccc1)(C(=O)OCC(C)(C)Cc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029560988 562033174 /nfs/dbraw/zinc/03/31/74/562033174.db2.gz QXBUMTDMIPSRAQ-UYHPJTEGSA-N 1 0 714.299 7.686 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCCc1cccnc1 ZINC000029552261 562031353 /nfs/dbraw/zinc/03/13/53/562031353.db2.gz ZITWOMGDVPSLHM-MHIGEHEBSA-N 1 0 683.850 5.514 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccn1 ZINC000029553224 562031569 /nfs/dbraw/zinc/03/15/69/562031569.db2.gz ZZAIEZHZMZAACL-PGSFLWIGSA-N 1 0 679.858 6.749 1 0 KKAFRO Fc1ccc(C(CCC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000029555189 562031915 /nfs/dbraw/zinc/03/19/15/562031915.db2.gz GVBHRUMKHHAKNZ-UHFFFAOYSA-N 1 0 550.697 7.851 1 0 KKAFRO CCC(CC)COC(=O)C1(C(=O)OCC(CC)CC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029557902 562032409 /nfs/dbraw/zinc/03/24/09/562032409.db2.gz MYVDZUNJHBGGOD-ZBLYBZFDSA-N 1 0 590.157 6.021 1 0 KKAFRO N=C(Nc1ccc(Cl)cc1)Nc1nc(NCCC[NH+]2CCCCC2)nc(C(Cl)(Cl)Cl)n1 ZINC000029564405 562034037 /nfs/dbraw/zinc/03/40/37/562034037.db2.gz DOLKHUSZFRGKDX-UHFFFAOYSA-N 1 0 506.269 5.098 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC/C=C/c1ccccc1)(C(=O)OC/C=C/c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029564555 562034047 /nfs/dbraw/zinc/03/40/47/562034047.db2.gz FLXYKQDHSXRSTQ-LGYFMJFYSA-N 1 0 654.159 6.575 1 0 KKAFRO CC(=O)O[C@@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029565834 562034281 /nfs/dbraw/zinc/03/42/81/562034281.db2.gz RBGYRZGPRRMUNF-GDLZYMKVSA-N 1 0 538.704 6.219 1 0 KKAFRO N=C(Nc1ccc(Cl)cc1)Nc1nc(NCCC[NH+]2CCCCCC2)nc(C(Cl)(Cl)Cl)n1 ZINC000029566994 562034561 /nfs/dbraw/zinc/03/45/61/562034561.db2.gz WLMXJGROBQQCHB-UHFFFAOYSA-N 1 0 520.296 5.488 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)C(C)(C)O2 ZINC000029568694 562035050 /nfs/dbraw/zinc/03/50/50/562035050.db2.gz VCBUSSFRFSIRMS-WXWTWREUSA-N 1 0 612.792 7.313 1 0 KKAFRO CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633580 562039205 /nfs/dbraw/zinc/03/92/05/562039205.db2.gz IFYMQFZWVLAXQB-PMERELPUSA-N 1 0 586.629 7.393 1 0 KKAFRO CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000029569156 562035183 /nfs/dbraw/zinc/03/51/83/562035183.db2.gz YQYPMWNVIHIRGQ-VADYNSSVSA-N 1 0 604.876 7.255 1 0 KKAFRO COc1ccc2nc(NCCC[NH2+]CCCNc3nc4ccc(OC)cc4n4cccc34)c3cccn3c2c1 ZINC000029570353 562035576 /nfs/dbraw/zinc/03/55/76/562035576.db2.gz FSCLCPYOFDNQMY-UHFFFAOYSA-N 1 0 523.641 5.199 1 0 KKAFRO O=C(OCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033865156 562037687 /nfs/dbraw/zinc/03/76/87/562037687.db2.gz RXQQIVAQBYVVOR-UHFFFAOYSA-N 1 0 501.030 6.001 1 0 KKAFRO CC[NH+](CC)Cc1ccc(OCC[C@H]2CC[C@@H]3[C@H]4[C@H](C)Cc5cc(O)ccc5[C@@H]4CC[C@]23C)c(OC)c1 ZINC000034027250 562038101 /nfs/dbraw/zinc/03/81/01/562038101.db2.gz OHCPNHFLPCVWRG-KRLSAZHJSA-N 1 0 505.743 7.430 1 0 in-man KKAFRO CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000034026954 562038123 /nfs/dbraw/zinc/03/81/23/562038123.db2.gz HUTHJVYJUPXHDF-DEOSSOPVSA-N 1 0 527.553 5.494 1 0 investigational KKAFRO C[NH2+]Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1 ZINC000034251736 562038490 /nfs/dbraw/zinc/03/84/90/562038490.db2.gz XWCLMDCPZBMSBY-UHFFFAOYSA-N 1 0 506.528 5.489 1 0 KKAFRO Cc1ccc2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000034272938 562038742 /nfs/dbraw/zinc/03/87/42/562038742.db2.gz IUNXXEDCSLVUNX-UHFFFAOYSA-N 1 0 525.656 6.752 3 0 KKAFRO NC(=[NH2+])Nc1ccc([C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000034633586 562039397 /nfs/dbraw/zinc/03/93/97/562039397.db2.gz RMJHMNZGTJDKCS-AREMUKBSSA-N 1 0 530.521 6.268 1 0 KKAFRO CN1CC[NH+](Cc2cc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3s2)CC1 ZINC000034663411 562039551 /nfs/dbraw/zinc/03/95/51/562039551.db2.gz XYCZXPVVNCEPEF-UHFFFAOYSA-N 1 0 507.084 5.730 1 0 KKAFRO CS(=O)(=O)c1ccc(OP(=O)(Oc2ccc(S(C)(=O)=O)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034717882 562039990 /nfs/dbraw/zinc/03/99/90/562039990.db2.gz NKKHYCKPVFOIAT-MUUNZHRXSA-N 1 0 686.705 5.075 1 0 KKAFRO Cc1ccc(-c2nn(CCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c3ccccc32)cc1 ZINC000034801012 562041074 /nfs/dbraw/zinc/04/10/74/562041074.db2.gz IUCZRZCSCXMIJH-UHFFFAOYSA-N 1 0 510.682 5.762 1 0 KKAFRO O=C(CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000034802110 562041695 /nfs/dbraw/zinc/04/16/95/562041695.db2.gz KXGAHULLQRZYOM-SXLOSVNLSA-N 1 0 726.145 5.830 1 0 KKAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000034802108 562041706 /nfs/dbraw/zinc/04/17/06/562041706.db2.gz SSQJHXZOEJZLAK-IZNNDHRXSA-N 1 0 730.872 5.552 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(CC(=O)N4CCOCC4)cc3)cc2)cc1 ZINC000034802878 562042229 /nfs/dbraw/zinc/04/22/29/562042229.db2.gz PFOLCEINNBUMGR-UHFFFAOYSA-N 1 0 639.925 8.032 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(N(C)c3ccccc3)cc2)cc1 ZINC000034802898 562042245 /nfs/dbraw/zinc/04/22/45/562042245.db2.gz PYSJNFKHFZAARP-UHFFFAOYSA-N 1 0 541.824 8.732 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NCc3ccccc3)cc2)cc1 ZINC000034802969 562042304 /nfs/dbraw/zinc/04/23/04/562042304.db2.gz KEEVFMYKXGKSIB-UHFFFAOYSA-N 1 0 541.824 8.576 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+]2CCC(CCCc3ccccc3)CC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802993 562042322 /nfs/dbraw/zinc/04/23/22/562042322.db2.gz GUOMHZSOLKHKJV-UHFFFAOYSA-N 1 0 630.873 9.192 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cncnc3)cc2)cc1 ZINC000034802966 562042386 /nfs/dbraw/zinc/04/23/86/562042386.db2.gz GNQCHRYKSHLWCJ-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CC(C)(Cc1cccnc1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803826 562042665 /nfs/dbraw/zinc/04/26/65/562042665.db2.gz ZHKRPLLAQFFFFA-VVFBEHOQSA-N 1 0 531.660 5.878 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)n1 ZINC000034804053 562042918 /nfs/dbraw/zinc/04/29/18/562042918.db2.gz VOHBOBKPRLGZFP-PMERELPUSA-N 1 0 605.695 5.350 1 0 KKAFRO CC(=O)N1CCC[C@H]([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804314 562043074 /nfs/dbraw/zinc/04/30/74/562043074.db2.gz JKIMXRFLUDBYCX-LSYYVWMOSA-N 1 0 621.666 6.666 1 0 KKAFRO CC[NH+](CC)Cc1ccc(OCC[C@H]2CC[C@@H]3[C@H]4[C@H](C)Cc5cc(O)ccc5[C@H]4CC[C@]23C)c(OC)c1 ZINC000034893075 562044049 /nfs/dbraw/zinc/04/40/49/562044049.db2.gz OHCPNHFLPCVWRG-PBWXFLKYSA-N 1 0 505.743 7.430 1 0 in-man KKAFRO CCOC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000036107789 562047361 /nfs/dbraw/zinc/04/73/61/562047361.db2.gz BLZCKCKQDXOKBR-UHFFFAOYSA-N 1 0 509.593 5.559 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000036140656 562047984 /nfs/dbraw/zinc/04/79/84/562047984.db2.gz GGBQHCPYXMONLA-YDSCLTKRSA-N 1 0 553.684 5.030 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036151814 562048282 /nfs/dbraw/zinc/04/82/82/562048282.db2.gz RCKQSOSJWIPOPL-IHLOFXLRSA-N 1 0 578.679 5.935 1 0 KKAFRO COc1ccccc1N([C@H](C)c1ccccc1OCCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175726 562048970 /nfs/dbraw/zinc/04/89/70/562048970.db2.gz LAKBDEWHYLFSHJ-JOCHJYFZSA-N 1 0 529.102 6.170 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175703 562049000 /nfs/dbraw/zinc/04/90/00/562049000.db2.gz QCYVROJYAWUOQW-FQEVSTJZSA-N 1 0 535.056 6.439 1 0 KKAFRO COc1cccc(N([C@@H](C)c2ccccc2OCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036175824 562049006 /nfs/dbraw/zinc/04/90/06/562049006.db2.gz WYLFNAJFEHDUJL-QFIPXVFZSA-N 1 0 529.102 6.170 1 0 KKAFRO CC[C@@H](c1nn2c(Cl)cc(Cl)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000036184707 562050263 /nfs/dbraw/zinc/05/02/63/562050263.db2.gz ATXWLDAYBVVVMP-QFIPXVFZSA-N 1 0 526.468 5.102 1 0 KKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2ccccc2Cl)cc1C ZINC000035985869 562046063 /nfs/dbraw/zinc/04/60/63/562046063.db2.gz NXLQWOFWVPUYTQ-UHFFFAOYSA-N 1 0 507.034 6.219 1 0 KKAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000036284839 562053529 /nfs/dbraw/zinc/05/35/29/562053529.db2.gz DOYFFOORPOMQKB-MSEJLTFDSA-N 1 0 633.321 7.248 1 0 KKAFRO CC[NH+](CC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036285018 562053621 /nfs/dbraw/zinc/05/36/21/562053621.db2.gz OCUATQXDWXBVSN-JORIVFIJSA-N 1 0 608.271 5.229 1 0 KKAFRO CC[NH+](CC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036285014 562053639 /nfs/dbraw/zinc/05/36/39/562053639.db2.gz OCUATQXDWXBVSN-QYAQUCTESA-N 1 0 608.271 5.229 1 0 KKAFRO CC(C)CC(CC(C)C)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036285045 562053747 /nfs/dbraw/zinc/05/37/47/562053747.db2.gz YZKIIYBZAZLMCC-POURPWNDSA-N 1 0 553.191 5.399 1 0 KKAFRO COc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1F ZINC000036285786 562054482 /nfs/dbraw/zinc/05/44/82/562054482.db2.gz DBWFLNVXJGCWNG-MBSDFSHPSA-N 1 0 509.588 5.426 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285822 562054486 /nfs/dbraw/zinc/05/44/86/562054486.db2.gz LHBCSPYLZWEXEG-SBUREZEXSA-N 1 0 530.462 6.586 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285845 562054557 /nfs/dbraw/zinc/05/45/57/562054557.db2.gz JANYTVCLBAOBNQ-NRFANRHFSA-N 1 0 518.407 5.786 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2O)CC1 ZINC000036285746 562054563 /nfs/dbraw/zinc/05/45/63/562054563.db2.gz USLNHTRUXIZORR-VGSWGCGISA-N 1 0 512.016 5.638 1 0 KKAFRO COc1cc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)ccc1Cl ZINC000036285758 562054565 /nfs/dbraw/zinc/05/45/65/562054565.db2.gz YIUVYPLGMPCBAC-JPYJTQIMSA-N 1 0 526.043 5.941 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036285896 562054567 /nfs/dbraw/zinc/05/45/67/562054567.db2.gz SQEAQRQNAZSYNN-MBSDFSHPSA-N 1 0 524.027 5.962 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322401 562055249 /nfs/dbraw/zinc/05/52/49/562055249.db2.gz FPXIRXAXVYUYRD-GOTSBHOMSA-N 1 0 537.491 6.242 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccccc1 ZINC000036338410 562056986 /nfs/dbraw/zinc/05/69/86/562056986.db2.gz UKXFQNNXQPKCRG-RSXGOPAZSA-N 1 0 516.605 5.248 1 0 KKAFRO CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000036349324 562057948 /nfs/dbraw/zinc/05/79/48/562057948.db2.gz VULRFDUFJCQCEM-NSOVKSMOSA-N 1 0 537.745 5.240 1 0 KKAFRO COc1cc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc(OC)c1 ZINC000036349239 562057975 /nfs/dbraw/zinc/05/79/75/562057975.db2.gz QXQQKOSVXWTDCN-WJOKGBTCSA-N 1 0 605.743 5.229 1 0 KKAFRO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351500 562058549 /nfs/dbraw/zinc/05/85/49/562058549.db2.gz UTAPFVCSIYSFAD-FTJBHMTQSA-N 1 0 530.635 5.445 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@H+](C)CC3CCC3)C2)C1 ZINC000036351565 562058747 /nfs/dbraw/zinc/05/87/47/562058747.db2.gz VZEKCKWGJKOXIG-SXOMAYOGSA-N 1 0 542.646 5.445 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351625 562058813 /nfs/dbraw/zinc/05/88/13/562058813.db2.gz RCKQSOSJWIPOPL-KYJUHHDHSA-N 1 0 578.679 5.935 1 0 KKAFRO O=Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351662 562058989 /nfs/dbraw/zinc/05/89/89/562058989.db2.gz HJDXSOXZHJUZJL-UUWRZZSWSA-N 1 0 590.595 7.665 1 0 KKAFRO CC(C)C(=O)Nc1ccc2c(c1)C[C@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351892 562059306 /nfs/dbraw/zinc/05/93/06/562059306.db2.gz KROXLQNVMVQKIP-RUZDIDTESA-N 1 0 544.115 5.103 1 0 KKAFRO COc1ccc([C@H]2Sc3cc(OC)ccc3[C@@H]2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000036419244 562060658 /nfs/dbraw/zinc/06/06/58/562060658.db2.gz WTPPRQIORFGZOV-PQHLKRTFSA-N 1 0 503.664 6.382 1 0 KKAFRO CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000036748745 562061172 /nfs/dbraw/zinc/06/11/72/562061172.db2.gz HFEFFYLNWHUHTO-DHUJRADRSA-N 1 0 639.789 7.891 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000037858550 562062105 /nfs/dbraw/zinc/06/21/05/562062105.db2.gz VWJBBKPEYUUTPI-UHFFFAOYSA-N 1 0 710.970 7.675 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000038146585 562065306 /nfs/dbraw/zinc/06/53/06/562065306.db2.gz WGQCVUUUJSQMIV-DHLKQENFSA-N 1 0 581.750 6.823 3 0 KKAFRO CCC(CC)(C(=O)N[C@@H]1C[C@@H]2C[C@](c3cccc(O)c3)(C1)[C@@H](C)C[N@@H+]2CCCc1ccccc1)c1ccccc1 ZINC000038147762 562065532 /nfs/dbraw/zinc/06/55/32/562065532.db2.gz KKPAJNFGOKLNPE-ONTRIGRTSA-N 1 0 538.776 7.010 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4cccc5ccccc54)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147758 562065591 /nfs/dbraw/zinc/06/55/91/562065591.db2.gz UIEAIJWWPQRFLC-YSKMISTLSA-N 1 0 586.820 7.917 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CCN1C ZINC000038147449 562065623 /nfs/dbraw/zinc/06/56/23/562065623.db2.gz DJAWTLHBPPQMPV-RRPNLBNLSA-N 1 0 562.666 6.909 3 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccc5ccccc5c4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147757 562065655 /nfs/dbraw/zinc/06/56/55/562065655.db2.gz MXVKOHKPFZWYQD-QXQQECFMSA-N 1 0 586.820 7.917 1 0 KKAFRO COC[C@H]1CCC[N@@H+]1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2o1 ZINC000038149682 562066158 /nfs/dbraw/zinc/06/61/58/562066158.db2.gz MTAKKFFTZMEHRX-OAQYLSRUSA-N 1 0 506.027 6.125 1 0 KKAFRO CC(C)CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)OC(C)(C)C)CC1 ZINC000038150650 562066432 /nfs/dbraw/zinc/06/64/32/562066432.db2.gz NLCOIJTYKCIUGG-MHZLTWQESA-N 1 0 522.686 5.033 1 0 KKAFRO CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000038152308 562067140 /nfs/dbraw/zinc/06/71/40/562067140.db2.gz UBOSWZVKFNAYOS-GDLZYMKVSA-N 1 0 517.714 5.911 1 0 KKAFRO Cc1ccc(-c2csc(N3CCN(c4ccc5nc(-c6ccncc6)n(CC[NH+]6CCCCC6)c5c4)CC3)n2)cc1 ZINC000038152754 562067283 /nfs/dbraw/zinc/06/72/83/562067283.db2.gz JYWGDFUPWFTBHT-UHFFFAOYSA-N 1 0 563.775 6.343 3 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156562 562068409 /nfs/dbraw/zinc/06/84/09/562068409.db2.gz QZEGJCQISZVRDI-UHFFFAOYSA-N 1 0 573.565 5.029 1 0 KKAFRO O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)CC1 ZINC000040401218 562074562 /nfs/dbraw/zinc/07/45/62/562074562.db2.gz MEMBYPTWDIQOBS-UHFFFAOYSA-N 1 0 508.924 5.658 1 0 KKAFRO CC[NH+](CC)CC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1 ZINC000038578936 562072168 /nfs/dbraw/zinc/07/21/68/562072168.db2.gz WRIXMSJJUBCUTJ-UHFFFAOYSA-N 1 0 512.576 5.476 1 0 KKAFRO CCc1ccnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000038998461 562072722 /nfs/dbraw/zinc/07/27/22/562072722.db2.gz YDNCUOPJVVQEMT-MFMCTBQISA-N 1 0 604.673 5.435 1 0 in-vitro KKAFRO CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[C@@H]([NH+](C)C)C3)c2F)c1 ZINC000039300630 562072972 /nfs/dbraw/zinc/07/29/72/562072972.db2.gz WIFBOPRNBMRLLS-XMMPIXPASA-N 1 0 603.670 5.975 1 0 in-vitro KKAFRO Cc1c(Cl)cccc1-c1cc(=O)n(C)c2ccc([C@@]([NH3+])(c3cncn3C)c3ccc(Cl)cc3)cc12 ZINC000040379573 562073230 /nfs/dbraw/zinc/07/32/30/562073230.db2.gz KIOOMMQUJQSBPZ-MUUNZHRXSA-N 1 0 503.433 5.805 1 0 KKAFRO NC(=[NH2+])NCC(=O)Nc1ccc(-c2cc3cc(N(Cc4ccccc4)Cc4ccccc4)ccc3[nH]2)cc1 ZINC000040395060 562074371 /nfs/dbraw/zinc/07/43/71/562074371.db2.gz QZRKOEIUHKHDKD-UHFFFAOYSA-N 1 0 502.622 5.463 1 0 KKAFRO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCC[N@@H+](C(C)C)CC1 ZINC000040420193 562075648 /nfs/dbraw/zinc/07/56/48/562075648.db2.gz FEDGBRFVHIFPHZ-UHFFFAOYSA-N 1 0 516.473 5.703 1 0 KKAFRO COc1ccc(Oc2ccc(-c3nc4cc(-c5nc6cc(C(N)=[NH2+])ccc6[nH]5)ccc4[nH]3)cc2)cc1OC ZINC000040422310 562075909 /nfs/dbraw/zinc/07/59/09/562075909.db2.gz UEQFHDPFQQTNGA-UHFFFAOYSA-N 1 0 504.550 5.867 1 0 KKAFRO CCOC(=O)CN1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422487 562076003 /nfs/dbraw/zinc/07/60/03/562076003.db2.gz LGYHEKIVFWTNCJ-YVXWPXBXSA-N 1 0 515.525 6.517 1 0 KKAFRO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)CC2CCCCC2)cc1 ZINC000040425196 562076590 /nfs/dbraw/zinc/07/65/90/562076590.db2.gz FBLJAGQGQQBHGC-QFIPXVFZSA-N 1 0 529.530 5.230 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040875569 562082169 /nfs/dbraw/zinc/08/21/69/562082169.db2.gz LJRBNBCTAYVKFU-SANMLTNESA-N 1 0 503.481 5.127 1 0 KKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000040592286 562078434 /nfs/dbraw/zinc/07/84/34/562078434.db2.gz FEFXOLXSIYRZIN-UZRTUEINSA-N 1 0 509.646 6.547 1 0 KKAFRO Cc1ccc(Sc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000040617098 562078567 /nfs/dbraw/zinc/07/85/67/562078567.db2.gz ZJUCJJGRDRDRFU-UHFFFAOYSA-N 1 0 501.696 5.852 1 0 KKAFRO O=C1N(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1C1CCCC1 ZINC000040617370 562078570 /nfs/dbraw/zinc/07/85/70/562078570.db2.gz BLLJPNCXGWDQCM-UHFFFAOYSA-N 1 0 509.069 6.283 1 0 KKAFRO Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccccn2)C3)c1 ZINC000040898667 562083286 /nfs/dbraw/zinc/08/32/86/562083286.db2.gz PAMZGVTZBVUZBF-SANMLTNESA-N 1 0 501.552 6.585 1 0 KKAFRO O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1-c1cccc(CN2CC[NH2+]CC2)c1 ZINC000040919152 562084456 /nfs/dbraw/zinc/08/44/56/562084456.db2.gz SBRYLCYLOSNJJE-UHFFFAOYSA-N 1 0 510.726 5.846 1 0 KKAFRO CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(NC(=O)CC[NH3+])cc3)[nH]2)cc1 ZINC000040934976 562084848 /nfs/dbraw/zinc/08/48/48/562084848.db2.gz OPYIPIDWPFWRTA-AATRIKPKSA-N 1 0 509.654 5.814 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCOC)c2cccc(Cl)c2F)C1 ZINC000040974634 562087065 /nfs/dbraw/zinc/08/70/65/562087065.db2.gz MQGYNBTVJAUBDI-TVZXLZGTSA-N 1 0 512.110 5.553 1 0 KKAFRO Cc1cccc(CN(Cc2cccc(C)c2)c2ccc(NC(=O)c3ccc(NCCNC(N)=[NH2+])c(-c4ccccc4)c3)cc2)c1 ZINC000042802714 562087902 /nfs/dbraw/zinc/08/79/02/562087902.db2.gz SBFZUSCKCITVIY-UHFFFAOYSA-N 1 0 596.779 7.325 1 0 KKAFRO FC(F)(F)c1cc(N[C@H](c2ccc(Cl)cc2)c2ccc(C[NH+]3CCCC3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000042803935 562088486 /nfs/dbraw/zinc/08/84/86/562088486.db2.gz NKVRCQXNNIAFFP-SANMLTNESA-N 1 0 563.973 8.723 1 0 KKAFRO CC(=O)Nc1ccc(C[NH2+][C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 ZINC000042804758 562088939 /nfs/dbraw/zinc/08/89/39/562088939.db2.gz LYODMXQUDKHZIG-LJAQVGFWSA-N 1 0 557.616 7.149 1 0 KKAFRO CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CC[NH+](C)CC4)ccc3n21 ZINC000042804672 562088941 /nfs/dbraw/zinc/08/89/41/562088941.db2.gz PKXKCWSYPLCFKQ-PMERELPUSA-N 1 0 550.707 5.631 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596835 560063329 /nfs/dbraw/zinc/06/33/29/560063329.db2.gz YLNNMZMEDIOSJT-LEAFIULHSA-N 1 0 517.707 5.707 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)Cc1ccccc1 ZINC000085571535 560069750 /nfs/dbraw/zinc/06/97/50/560069750.db2.gz ZPAZJRMMXBZSRY-VPVJYOPJSA-N 1 0 539.716 6.576 1 0 biogenic,in-vitro KKAFRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H](c2cc(O)cc(C[C@H]3CCC[C@@H]([C@@]4(C)C=CC[C@H](C)C4)C3)c2)c2ccccc21 ZINC000085543533 560070996 /nfs/dbraw/zinc/07/09/96/560070996.db2.gz CNVJJSDGIRPQIQ-GTIYLHRPSA-N 1 0 541.864 10.115 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCC3)[C@H]2[C@@H]1C ZINC000085532468 560072624 /nfs/dbraw/zinc/07/26/24/560072624.db2.gz DHCHQHMMIVACMU-FUUURWHNSA-N 1 0 559.747 6.439 1 0 biogenic,in-vitro KKAFRO Cc1cc(C)n(C[C@H](NC(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccccc2)n1 ZINC000043021940 562644922 /nfs/dbraw/zinc/64/49/22/562644922.db2.gz LCXRMOKMNODMLL-LJAQVGFWSA-N 1 0 564.656 6.015 1 0 KKAFRO CCCC[C@@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071040 562645557 /nfs/dbraw/zinc/64/55/57/562645557.db2.gz ORCCEUNUHQADKD-AREMUKBSSA-N 1 0 528.619 5.834 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000043132751 562646357 /nfs/dbraw/zinc/64/63/57/562646357.db2.gz YNGFCJDKTKXUOJ-UHFFFAOYSA-N 1 0 566.727 6.214 1 0 KKAFRO COCCc1ccc(Cl)c(CN(CC2CC2)C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000043152044 562646369 /nfs/dbraw/zinc/64/63/69/562646369.db2.gz BTTNGIRQOWEUTJ-AREMUKBSSA-N 1 0 634.044 7.158 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000043169186 562646464 /nfs/dbraw/zinc/64/64/64/562646464.db2.gz NAXULJKEABEWJM-WJOKGBTCSA-N 1 0 564.711 5.011 1 0 KKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4ccc(F)c5c(OC)cc(C(F)(F)F)nc45)CC3)CC2)c1 ZINC000043206372 562647042 /nfs/dbraw/zinc/64/70/42/562647042.db2.gz SZPYUJIVXAFIMH-UHFFFAOYSA-N 1 0 569.603 5.749 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(F)cc3)cc2)n1 ZINC000043531962 562649194 /nfs/dbraw/zinc/64/91/94/562649194.db2.gz IJSFLTKQJAUFSB-MHZLTWQESA-N 1 0 560.626 5.028 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544030 562649600 /nfs/dbraw/zinc/64/96/00/562649600.db2.gz DSQXPFNDAOHWMU-ZMAQEQNXSA-N 1 0 577.773 6.722 1 0 KKAFRO O=C1CC[C@@](CC[NH+]2CC(N3CCO[C@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000043911097 562651204 /nfs/dbraw/zinc/65/12/04/562651204.db2.gz YBYSBOXLPMEIAC-WEZIJMHWSA-N 1 0 578.584 6.202 1 0 KKAFRO COc1ccc(Cn2c3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3nc2N(C)C)cc1 ZINC000044069541 562652090 /nfs/dbraw/zinc/65/20/90/562652090.db2.gz MHLVGKWMEPPXSU-UHFFFAOYSA-N 1 0 542.064 6.240 1 0 KKAFRO COC(=O)CCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044070091 562652157 /nfs/dbraw/zinc/65/21/57/562652157.db2.gz SZGAPLIRORJXMB-CELWMORBSA-N 1 0 501.752 6.456 1 0 KKAFRO CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41C[N@@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000044117686 562652349 /nfs/dbraw/zinc/65/23/49/562652349.db2.gz MOSIRVPMEDLWCZ-MXTSBSQWSA-N 1 0 583.729 5.021 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CC[NH2+]CC5)cc4)sc32)c(F)c1)N1CCN(c2ccccc2)C1=O ZINC000044305653 562653492 /nfs/dbraw/zinc/65/34/92/562653492.db2.gz KPPTZOUOPSHOGH-UHFFFAOYSA-N 1 0 622.726 6.774 1 0 KKAFRO COc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n2)cn1 ZINC000044306327 562653696 /nfs/dbraw/zinc/65/36/96/562653696.db2.gz JLQPVVYLBVGTJX-UHFFFAOYSA-N 1 0 569.669 5.825 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1-c1ccccc1 ZINC000044306641 562653793 /nfs/dbraw/zinc/65/37/93/562653793.db2.gz YNCJPSNZOPUISD-UHFFFAOYSA-N 1 0 568.725 6.708 1 0 KKAFRO CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nc[nH]n2)cc1 ZINC000044306701 562653806 /nfs/dbraw/zinc/65/38/06/562653806.db2.gz QLFOLIXAZGHBOP-UHFFFAOYSA-N 1 0 537.671 7.351 1 0 KKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5[nH]c(=O)c(=O)n(Cc6cccnc6)c5c4)CC3)[nH]2)cc1 ZINC000044306760 562653858 /nfs/dbraw/zinc/65/38/58/562653858.db2.gz DJBINAQGDWQBRE-UHFFFAOYSA-N 1 0 599.739 5.296 1 0 KKAFRO COc1ccc(F)c(CCC[C@@H]2CC[C@H](CC[NH2+]CCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351700 562654812 /nfs/dbraw/zinc/65/48/12/562654812.db2.gz ILYANWOXFYOOPX-LIKAHPKFSA-N 1 0 635.821 6.701 1 0 KKAFRO COc1ccc(F)c(CCC[C@H]2CC[C@@H](CC[NH2+]CCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351707 562654817 /nfs/dbraw/zinc/65/48/17/562654817.db2.gz ILYANWOXFYOOPX-QAVJZVLGSA-N 1 0 635.821 6.701 1 0 KKAFRO CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@H](C)[NH+](C)C)[C@@]3(C)CC[C@@H]12 ZINC000044352430 562655133 /nfs/dbraw/zinc/65/51/33/562655133.db2.gz LANJPWZPYVPLQZ-SKMXPDMESA-N 1 0 506.731 6.061 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@@H](C)[N@H+]3CC(C)C)ncn2)s1 ZINC000044352522 562655172 /nfs/dbraw/zinc/65/51/72/562655172.db2.gz QSMKDSHSYVNTOC-HXOBKFHXSA-N 1 0 612.678 6.970 1 0 KKAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC2CC2)CC2CC2)CC1 ZINC000044358361 562655318 /nfs/dbraw/zinc/65/53/18/562655318.db2.gz BOJAUQCIFHEPGT-JSOSNVBQSA-N 1 0 572.621 6.455 1 0 KKAFRO CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C2=[NH+]CCN2)cc1 ZINC000044359210 562655448 /nfs/dbraw/zinc/65/54/48/562655448.db2.gz GQMRFIMBKDRSJE-UHFFFAOYSA-N 1 0 538.699 6.916 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(CCC[NH+]3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044360822 562655622 /nfs/dbraw/zinc/65/56/22/562655622.db2.gz WEJBUBUHCUQAFH-UHFFFAOYSA-N 1 0 545.531 7.501 1 0 KKAFRO CC[N@H+](CCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388006 562656249 /nfs/dbraw/zinc/65/62/49/562656249.db2.gz INUMVYWXFUFMTG-UHFFFAOYSA-N 1 0 540.133 5.210 1 0 KKAFRO CC[N@H+](CCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388337 562656321 /nfs/dbraw/zinc/65/63/21/562656321.db2.gz RNXDTZUOYPAGOH-UHFFFAOYSA-N 1 0 554.160 5.600 1 0 KKAFRO CCCC[C@@H]1C(=O)[C@H](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388390 562656339 /nfs/dbraw/zinc/65/63/39/562656339.db2.gz KXOYWYHTSWKVEF-WUFINQPMSA-N 1 0 552.804 5.773 1 0 KKAFRO O=C1N(CCC[NH+]2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044405141 562656607 /nfs/dbraw/zinc/65/66/07/562656607.db2.gz ZQXJEKRACRYDRN-UHFFFAOYSA-N 1 0 577.600 6.710 1 0 KKAFRO COc1ccc(C[NH2+][C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)cc1 ZINC000044417300 562657124 /nfs/dbraw/zinc/65/71/24/562657124.db2.gz YZGYHMBCXQCNDC-MHZLTWQESA-N 1 0 530.590 7.199 1 0 KKAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(-c2ccsc2)c1)c1ccccc1 ZINC000044417782 562657206 /nfs/dbraw/zinc/65/72/06/562657206.db2.gz ZTEDLWSRZQXJSK-QSSDJRQSSA-N 1 0 553.728 5.360 1 0 KKAFRO CC(C)(C)OC(=O)n1cc(C2CC[NH+](CCC[C@]34CCCc5cccc(c53)NC4=O)CC2)c2ccncc21 ZINC000045167631 562658046 /nfs/dbraw/zinc/65/80/46/562658046.db2.gz CYSQEQXYRAKQCD-WJOKGBTCSA-N 1 0 514.670 6.006 1 0 KKAFRO C[NH+]1CCC(c2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)CC1 ZINC000045188951 562658296 /nfs/dbraw/zinc/65/82/96/562658296.db2.gz GVHRGPOGXIORPO-UHFFFAOYSA-N 1 0 525.878 6.568 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000045188425 562658302 /nfs/dbraw/zinc/65/83/02/562658302.db2.gz LCVHSJBRQOBHRT-UHFFFAOYSA-N 1 0 524.061 5.294 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000045189385 562658389 /nfs/dbraw/zinc/65/83/89/562658389.db2.gz PRNAWGIHOUEBCC-CSKARUKUSA-N 1 0 522.904 5.841 1 0 KKAFRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045190458 562658488 /nfs/dbraw/zinc/65/84/88/562658488.db2.gz ITSYIVOJYRZNJS-UHFFFAOYSA-N 1 0 500.952 6.584 1 0 KKAFRO C[C@H](c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045191461 562658546 /nfs/dbraw/zinc/65/85/46/562658546.db2.gz KSWHTBGJBMZWPM-HXUWFJFHSA-N 1 0 509.638 5.195 1 0 KKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000045191275 562658566 /nfs/dbraw/zinc/65/85/66/562658566.db2.gz BJAYLPNOSZIIBE-SDNWHVSQSA-N 1 0 520.073 5.634 1 0 KKAFRO C[NH2+]CCN(C)C(=O)Oc1c(Cl)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000045191548 562658570 /nfs/dbraw/zinc/65/85/70/562658570.db2.gz MSEVUAAURVGSRN-UHFFFAOYSA-N 1 0 523.939 6.360 1 0 KKAFRO OC[C@H](c1ccccc1)n1c(COc2ccc(Cl)cc2)nc2c1cccc2OCCC[NH+]1CCCCC1 ZINC000045192664 562658642 /nfs/dbraw/zinc/65/86/42/562658642.db2.gz QGNUHSXLFMVOCI-HHHXNRCGSA-N 1 0 520.073 6.105 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc3c(ccn3[C@H]3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192989 562658675 /nfs/dbraw/zinc/65/86/75/562658675.db2.gz REMGAUDCEZSMLC-QFIPXVFZSA-N 1 0 514.523 6.575 1 0 KKAFRO COc1cccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)c1 ZINC000045193951 562658771 /nfs/dbraw/zinc/65/87/71/562658771.db2.gz BYINPTKLHJRKRJ-UHFFFAOYSA-N 1 0 505.662 6.322 1 0 KKAFRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045195783 562658921 /nfs/dbraw/zinc/65/89/21/562658921.db2.gz NVTTWQSTOCPNHX-HHHXNRCGSA-N 1 0 506.046 5.778 1 0 KKAFRO CN(C)C(=O)CCCn1c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)cc2c1cc(Cl)cc2Cl ZINC000045201120 562659015 /nfs/dbraw/zinc/65/90/15/562659015.db2.gz ZYCQSVHPXBRJPZ-UHFFFAOYSA-N 1 0 528.484 5.250 1 0 KKAFRO O=C(/C=C/c1cc(C(F)(F)F)ccc1F)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201414 562659083 /nfs/dbraw/zinc/65/90/83/562659083.db2.gz RNBJWMPFXCQUPC-KPKJPENVSA-N 1 0 527.606 6.894 1 0 KKAFRO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045227661 562659439 /nfs/dbraw/zinc/65/94/39/562659439.db2.gz ZOXQYQOWAXKIKN-LJQANCHMSA-N 1 0 521.587 5.738 1 0 KKAFRO O=C(/C=C/c1ccc(F)c(C(F)(F)F)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045231320 562659673 /nfs/dbraw/zinc/65/96/73/562659673.db2.gz YPLGJYNHBBWVAG-SOFGYWHQSA-N 1 0 513.579 6.457 1 0 KKAFRO CCNc1nc2cc(C)ccc2c(NCc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000045245712 562659755 /nfs/dbraw/zinc/65/97/55/562659755.db2.gz SKBSBBCMYNRFHX-UHFFFAOYSA-N 1 0 508.670 5.833 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000045301332 562660498 /nfs/dbraw/zinc/66/04/98/562660498.db2.gz VCZZFABDHXKWPN-QHHAFSJGSA-N 1 0 512.481 6.312 1 0 KKAFRO C[NH+](C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045303104 562660772 /nfs/dbraw/zinc/66/07/72/562660772.db2.gz XDVPZVUMZAKKFV-UHFFFAOYSA-N 1 0 510.679 5.069 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000045322094 562661074 /nfs/dbraw/zinc/66/10/74/562661074.db2.gz RGTJOQKJFFUGHK-VZUCSPMQSA-N 1 0 506.449 5.327 1 0 KKAFRO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045322593 562661100 /nfs/dbraw/zinc/66/11/00/562661100.db2.gz QFNWXBCCKJYIFU-LJQANCHMSA-N 1 0 521.587 5.738 1 0 KKAFRO O=C(Cc1cc(=O)oc2cc(O)ccc12)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045324410 562661195 /nfs/dbraw/zinc/66/11/95/562661195.db2.gz JHGWZUVPECTNNY-UHFFFAOYSA-N 1 0 513.638 5.077 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncc[nH]4)cc3C)cc1)CC2 ZINC000045334522 562661244 /nfs/dbraw/zinc/66/12/44/562661244.db2.gz HTGILZNELBSZCT-SZPZYZBQSA-N 1 0 521.665 5.450 1 0 KKAFRO COc1cc2c(cc1N1C[C@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4ncc[nH]4)cc3C)cc1)CC2 ZINC000045334526 562661289 /nfs/dbraw/zinc/66/12/89/562661289.db2.gz HTGILZNELBSZCT-VXKWHMMOSA-N 1 0 521.665 5.450 1 0 KKAFRO COc1cccc(CCc2nc3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@@H]2C[NH2+]CCO2)c1 ZINC000045338627 562661514 /nfs/dbraw/zinc/66/15/14/562661514.db2.gz BZELXZGNHMKBEU-LJAQVGFWSA-N 1 0 524.709 5.278 1 0 KKAFRO COc1cccc(CCc2nc3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@H]2C[NH2+]CCO2)c1 ZINC000045338629 562661536 /nfs/dbraw/zinc/66/15/36/562661536.db2.gz BZELXZGNHMKBEU-GDLZYMKVSA-N 1 0 524.709 5.278 1 0 KKAFRO CCN1CCN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000045357557 562661934 /nfs/dbraw/zinc/66/19/34/562661934.db2.gz HQASOTKPUNGNKH-UHFFFAOYSA-N 1 0 504.719 5.979 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5cc(C(F)(F)F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000045495500 562662627 /nfs/dbraw/zinc/66/26/27/562662627.db2.gz AHPVBZRCJFTJRY-KZNIJNHCSA-N 1 0 522.567 5.011 1 0 KKAFRO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC([NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 ZINC000045484692 562662640 /nfs/dbraw/zinc/66/26/40/562662640.db2.gz CKUGQYKWEJWUKL-UHFFFAOYSA-N 1 0 519.593 5.275 1 0 KKAFRO O=C(Cc1ccccc1)N(CCC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000045496488 562662670 /nfs/dbraw/zinc/66/26/70/562662670.db2.gz YNSUWYUSGRDYGA-UHFFFAOYSA-N 1 0 533.716 5.509 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000048307276 562662892 /nfs/dbraw/zinc/66/28/92/562662892.db2.gz XITZHHGQQYHDGE-UKTHLTGXSA-N 1 0 538.519 6.341 1 0 KKAFRO O=C(Oc1ccc([C@H]2C[NH2+]CCc3c(Cl)c(OC(=O)c4ccc(O)cc4)c(OC(=O)c4ccc(O)cc4)cc32)cc1)c1ccc(O)cc1 ZINC000048307404 562663126 /nfs/dbraw/zinc/66/31/26/562663126.db2.gz VBPNWODZFNAFCX-WJOKGBTCSA-N 1 0 666.082 6.392 1 0 KKAFRO CCCC[NH+](CCCC)CC[C@@H](O)/C(=C/c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000048308793 562663142 /nfs/dbraw/zinc/66/31/42/562663142.db2.gz ZCTAXTJBDYYHSO-WNRWPCNTSA-N 1 0 517.463 7.788 1 0 KKAFRO CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049034127 562663453 /nfs/dbraw/zinc/66/34/53/562663453.db2.gz UCDXFDZZQRBDBU-MUUNZHRXSA-N 1 0 523.762 6.334 1 0 KKAFRO Oc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(F)ccc21 ZINC000049036668 562663597 /nfs/dbraw/zinc/66/35/97/562663597.db2.gz KLRGEDJTDSUZSF-WJOKGBTCSA-N 1 0 501.598 6.613 1 0 KKAFRO c1ccc2c(c1)[nH+]c1c(c2NCCCCCCNc2c3cccnc3nc3c2CCCCC3)CCCCC1 ZINC000049036774 562663599 /nfs/dbraw/zinc/66/35/99/562663599.db2.gz CUNSKXFDFJIUPQ-UHFFFAOYSA-N 1 0 507.726 7.800 1 0 KKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4s3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067629 562663970 /nfs/dbraw/zinc/66/39/70/562663970.db2.gz VJBLQVGHCPRWTP-NDEPHWFRSA-N 1 0 505.691 6.456 1 0 KKAFRO Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)nc1NCc1c(Cl)cccc1Cl ZINC000049068484 562664036 /nfs/dbraw/zinc/66/40/36/562664036.db2.gz PVBCEWZVPUKFNT-FQEVSTJZSA-N 1 0 525.484 5.345 1 0 KKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCSCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049089146 562664372 /nfs/dbraw/zinc/66/43/72/562664372.db2.gz PYORKCIXTGLRQL-GDLZYMKVSA-N 1 0 503.620 5.352 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)CCC5CCCC5)cc3)c4N)cc2)CC1 ZINC000049089175 562664405 /nfs/dbraw/zinc/66/44/05/562664405.db2.gz NPSXOCPQKKCBFX-UHFFFAOYSA-N 1 0 523.685 5.306 1 0 KKAFRO CC(C)(CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F)C[NH+]1CCCC1 ZINC000049604929 562665054 /nfs/dbraw/zinc/66/50/54/562665054.db2.gz QXZPQRNNJGMDEO-UHFFFAOYSA-N 1 0 716.795 8.297 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049604922 562665080 /nfs/dbraw/zinc/66/50/80/562665080.db2.gz PDQYOZUQRIXUAW-VZUCSPMQSA-N 1 0 603.616 6.414 1 0 KKAFRO NC(=O)COc1c(C2CCN(CC[NH+]3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc2c1CCCC2 ZINC000049605118 562665372 /nfs/dbraw/zinc/66/53/72/562665372.db2.gz NWZUPTOGVPQDGC-UHFFFAOYSA-N 1 0 676.824 6.437 1 0 KKAFRO Cc1cc2[nH]c(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3F)nc2cc1Cl ZINC000049605122 562665404 /nfs/dbraw/zinc/66/54/04/562665404.db2.gz NIQAEKHMTXZQNH-UHFFFAOYSA-N 1 0 540.470 5.926 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000049605228 562665571 /nfs/dbraw/zinc/66/55/71/562665571.db2.gz NEHAHKMKDAJKQA-UHFFFAOYSA-N 1 0 544.743 7.339 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cc(F)ccc1F ZINC000049605266 562665656 /nfs/dbraw/zinc/66/56/56/562665656.db2.gz WKKCEZHXTXWWMS-UHFFFAOYSA-N 1 0 676.730 7.516 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2Cl)[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049605346 562665739 /nfs/dbraw/zinc/66/57/39/562665739.db2.gz FTEWGZRSZVOFRL-KEPSJGTLSA-N 1 0 607.261 5.208 1 0 KKAFRO COc1cccc(C(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049605352 562665746 /nfs/dbraw/zinc/66/57/46/562665746.db2.gz LLWKPNOAUJXXAA-WJOKGBTCSA-N 1 0 553.530 6.640 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(C)cc1OCC(N)=O ZINC000049605378 562665775 /nfs/dbraw/zinc/66/57/75/562665775.db2.gz NRRABKYYQJOUFO-UHFFFAOYSA-N 1 0 581.679 6.243 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000049605459 562665909 /nfs/dbraw/zinc/66/59/09/562665909.db2.gz YJBZGIWKNZKJME-IZZDOVSWSA-N 1 0 554.575 7.053 1 0 KKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccncc2)ccc1OCC[NH+]1CCCC1 ZINC000049605495 562665961 /nfs/dbraw/zinc/66/59/61/562665961.db2.gz DBRFPRJECOZCQM-UHFFFAOYSA-N 1 0 577.106 6.451 1 0 KKAFRO Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3cc(Br)c(Cl)s3)CC2)c2ccccc2n1 ZINC000049605480 562665978 /nfs/dbraw/zinc/66/59/78/562665978.db2.gz UXEVGCCRKJCQBZ-UHFFFAOYSA-N 1 0 558.951 5.232 1 0 KKAFRO C[NH+](C)CCOc1ccc(NC(=O)NC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000049605518 562665988 /nfs/dbraw/zinc/66/59/88/562665988.db2.gz SSHPLHRQFSBKPJ-UHFFFAOYSA-N 1 0 535.048 5.495 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N1CCO[C@@](CC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049605644 562666178 /nfs/dbraw/zinc/66/61/78/562666178.db2.gz ZZICTRWDKLUOBS-JGCGQSQUSA-N 1 0 600.537 7.401 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4cc(C(F)(F)F)ccc43)CC2)CC1 ZINC000049605802 562666356 /nfs/dbraw/zinc/66/63/56/562666356.db2.gz LGVJOAYDVOGXCZ-ONNFQVAWSA-N 1 0 578.506 8.061 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 ZINC000049615364 562666611 /nfs/dbraw/zinc/66/66/11/562666611.db2.gz QMOQJOJQHDGNAC-UHFFFAOYSA-N 1 0 728.757 7.191 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625515 562666779 /nfs/dbraw/zinc/66/67/79/562666779.db2.gz BZILAFGVDGIZFW-KRWDZBQOSA-N 1 0 602.612 6.648 1 0 KKAFRO COc1ccc([C@@H]2CC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c(OC)c1 ZINC000049625709 562666830 /nfs/dbraw/zinc/66/68/30/562666830.db2.gz YGZHXPNLNQZMNK-HSZRJFAPSA-N 1 0 536.072 5.609 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[C@H](C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000049625773 562666870 /nfs/dbraw/zinc/66/68/70/562666870.db2.gz SQVDNFXUYIDDLV-HEAKDJBOSA-N 1 0 546.542 7.658 1 0 KKAFRO O=C(N[C@H]1CCN(Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049626133 562667017 /nfs/dbraw/zinc/66/70/17/562667017.db2.gz YERIGEPLSXHGGE-DEOSSOPVSA-N 1 0 572.964 6.695 1 0 KKAFRO C[N@@H+]1CCC[C@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626237 562667101 /nfs/dbraw/zinc/66/71/01/562667101.db2.gz ZFHWQEUJIOCMOL-SFHVURJKSA-N 1 0 555.904 6.480 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)N[C@@H]3C[C@H]3c3ccccc3)cs2)cc1 ZINC000049626516 562667216 /nfs/dbraw/zinc/66/72/16/562667216.db2.gz WBHJKHQFAXZOKA-URLMMPGGSA-N 1 0 542.753 6.054 1 0 KKAFRO O=C(NCc1ccc2c(c1)OCO2)c1nn(CCN2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049626539 562667239 /nfs/dbraw/zinc/66/72/39/562667239.db2.gz QQWNNQDDBVPYFQ-UHFFFAOYSA-N 1 0 570.521 5.076 1 0 KKAFRO COc1ccc(CC(=O)N[C@H](CCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 ZINC000049626669 562667246 /nfs/dbraw/zinc/66/72/46/562667246.db2.gz TVLBTPNOJYAAHU-GDLZYMKVSA-N 1 0 553.530 6.704 1 0 KKAFRO C[C@H](Cc1ccc(OCCCCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)NC(=O)[C@H](O)c1cccc(Cl)c1 ZINC000049626623 562667259 /nfs/dbraw/zinc/66/72/59/562667259.db2.gz QSJSJIUGWYQVEM-CHIQZTBUSA-N 1 0 707.739 8.047 1 0 KKAFRO COC(=O)c1ccc(NC(=O)c2ccc(CC[NH+]3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 ZINC000049626607 562667274 /nfs/dbraw/zinc/66/72/74/562667274.db2.gz VOJHWEVUAFFUQX-UHFFFAOYSA-N 1 0 639.646 7.021 1 0 KKAFRO O=C(CCc1cccc(O)c1)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626815 562667378 /nfs/dbraw/zinc/66/73/78/562667378.db2.gz SLAFDJAMGDMAFA-AREMUKBSSA-N 1 0 642.392 5.641 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1CCc1cccc(F)c1F ZINC000049626958 562667441 /nfs/dbraw/zinc/66/74/41/562667441.db2.gz BFNMEBUQFVWIKH-UHFFFAOYSA-N 1 0 682.759 7.578 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2C)CC1 ZINC000049626968 562667453 /nfs/dbraw/zinc/66/74/53/562667453.db2.gz LYGMCZBUWSLFAO-UHFFFAOYSA-N 1 0 542.646 6.501 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639093 562667630 /nfs/dbraw/zinc/66/76/30/562667630.db2.gz WBJZXUQDAVEAJL-NHCUHLMSSA-N 1 0 569.936 6.462 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc([C@@H](C)O)c2)c1 ZINC000049650247 562668061 /nfs/dbraw/zinc/66/80/61/562668061.db2.gz IXJVBGCZQGVESS-LLPXPGLDSA-N 1 0 649.710 5.149 1 0 KKAFRO CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[C@@](C)(CC[NH+]1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049677998 562668443 /nfs/dbraw/zinc/66/84/43/562668443.db2.gz XNEWLEJBYAVWCK-NDEPHWFRSA-N 1 0 602.500 6.545 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678172 562668482 /nfs/dbraw/zinc/66/84/82/562668482.db2.gz AVFNYTPENXWWCA-BULFVYHESA-N 1 0 513.811 6.117 1 0 in-vivo KKAFRO COc1ccc([C@H](CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679943 562669049 /nfs/dbraw/zinc/66/90/49/562669049.db2.gz NGGJCHLWJLXTQR-IRPSRAIASA-N 1 0 642.797 6.229 1 0 KKAFRO Cc1ccc(C(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049694752 562669744 /nfs/dbraw/zinc/66/97/44/562669744.db2.gz VGTHCHXFYHAGIH-UWXQCODUSA-N 1 0 622.850 6.172 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1 ZINC000049694853 562669835 /nfs/dbraw/zinc/66/98/35/562669835.db2.gz GZEUUNLHCQFCOC-GTAPEUFRSA-N 1 0 586.748 5.390 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccc(OC)cc54)CC3)c(=O)n3c2CCCC3)cc1 ZINC000049694960 562670046 /nfs/dbraw/zinc/67/00/46/562670046.db2.gz GBGCDDAAHQMKSO-UHFFFAOYSA-N 1 0 556.707 5.172 1 0 KKAFRO O=C(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049695547 562670685 /nfs/dbraw/zinc/67/06/85/562670685.db2.gz BWUVASHCJZBOKE-HSZRJFAPSA-N 1 0 544.142 5.083 1 0 KKAFRO O=C(NCc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000049708605 562671015 /nfs/dbraw/zinc/67/10/15/562671015.db2.gz MZRRETNYTZMNMR-UHFFFAOYSA-N 1 0 607.413 6.412 1 0 KKAFRO COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1N1CC[NH+](CC(C)C)CC1 ZINC000049710603 562671716 /nfs/dbraw/zinc/67/17/16/562671716.db2.gz LGFREFZAQBWKTK-UHFFFAOYSA-N 1 0 590.668 5.545 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cc(F)cc(F)c3)CCO2)CC1 ZINC000049710571 562671743 /nfs/dbraw/zinc/67/17/43/562671743.db2.gz IZFKBRJLUQFVJC-JGCGQSQUSA-N 1 0 616.536 7.044 1 0 KKAFRO COc1cc(NC(=O)N[C@@H](CC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049710539 562671754 /nfs/dbraw/zinc/67/17/54/562671754.db2.gz XHPNNYSKTZBOGU-MHZLTWQESA-N 1 0 598.571 7.252 1 0 KKAFRO COc1cc(NC(=O)N[C@H](CC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049710544 562671755 /nfs/dbraw/zinc/67/17/55/562671755.db2.gz XHPNNYSKTZBOGU-HHHXNRCGSA-N 1 0 598.571 7.252 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710912 562671845 /nfs/dbraw/zinc/67/18/45/562671845.db2.gz WZXINJTXKIEZPD-BVSLBCMMSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4cc5c(cc43)OCO5)CC2)CC1 ZINC000049711001 562671898 /nfs/dbraw/zinc/67/18/98/562671898.db2.gz KDJCNQCKDLGUQE-DUXPYHPUSA-N 1 0 540.491 6.335 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049711222 562672019 /nfs/dbraw/zinc/67/20/19/562672019.db2.gz VJIJTHLXSGTWCS-KONDSOJQSA-N 1 0 593.020 7.303 1 0 KKAFRO CCOc1c(OC)ccc2c1CCN(CC[NH+]1CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4C(F)(F)F)cc3)CC1)C2 ZINC000049722555 562672165 /nfs/dbraw/zinc/67/21/65/562672165.db2.gz YTPDUUACUCTLFN-UHFFFAOYSA-N 1 0 649.676 7.051 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722692 562672374 /nfs/dbraw/zinc/67/23/74/562672374.db2.gz WMOFZJZCOQWBCG-NVQXNPDNSA-N 1 0 546.539 6.035 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049722731 562672416 /nfs/dbraw/zinc/67/24/16/562672416.db2.gz YFJABXWNYRHAQJ-SERSOLAASA-N 1 0 621.074 8.083 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049722857 562672617 /nfs/dbraw/zinc/67/26/17/562672617.db2.gz XVZNRUGROMDFEO-NHCUHLMSSA-N 1 0 603.488 6.827 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCN2CCCC2=O)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722941 562672739 /nfs/dbraw/zinc/67/27/39/562672739.db2.gz OVWIZFVWTZUWRB-UHFFFAOYSA-N 1 0 661.809 7.642 1 0 KKAFRO CC(C)c1ccc(NC(=O)N[C@@H]2CC[N@H+](CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723006 562672830 /nfs/dbraw/zinc/67/28/30/562672830.db2.gz CLPJRMRZKPOGDZ-WCLOKENTSA-N 1 0 545.555 6.655 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccc(Cn5cnnn5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000049723090 562672900 /nfs/dbraw/zinc/67/29/00/562672900.db2.gz XGKYQSYCRAKAPI-UHFFFAOYSA-N 1 0 593.695 5.479 1 0 KKAFRO CC(C)c1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000049723080 562672902 /nfs/dbraw/zinc/67/29/02/562672902.db2.gz YHLZINJOZADZRZ-UHFFFAOYSA-N 1 0 567.561 6.701 1 0 KKAFRO CC(C)CCNC(=O)[C@H]1Cc2c3ccc(Br)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049745301 562673791 /nfs/dbraw/zinc/67/37/91/562673791.db2.gz GVQLRRQPASVGAZ-AREMUKBSSA-N 1 0 537.546 5.141 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000049745387 562673861 /nfs/dbraw/zinc/67/38/61/562673861.db2.gz IJGXVMUOFSTVHJ-ACCUITESSA-N 1 0 621.074 8.083 1 0 KKAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c2)CC1 ZINC000049746636 562674491 /nfs/dbraw/zinc/67/44/91/562674491.db2.gz KWBPGJDCYDKERW-RUZDIDTESA-N 1 0 556.128 6.127 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049756023 562674734 /nfs/dbraw/zinc/67/47/34/562674734.db2.gz RAENMKUYBSVPAO-WUXMJOGZSA-N 1 0 569.480 6.134 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000049756034 562674751 /nfs/dbraw/zinc/67/47/51/562674751.db2.gz PXEPNGMUQJGHTP-VZUCSPMQSA-N 1 0 553.987 6.398 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756204 562674893 /nfs/dbraw/zinc/67/48/93/562674893.db2.gz UJBJAMOSBBJZBK-UHFFFAOYSA-N 1 0 570.719 5.684 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000049756671 562675178 /nfs/dbraw/zinc/67/51/78/562675178.db2.gz PIQNNSKBFMKWGB-UHFFFAOYSA-N 1 0 608.690 6.694 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1F ZINC000049756673 562675194 /nfs/dbraw/zinc/67/51/94/562675194.db2.gz WZTHBTBWYVSGPF-UHFFFAOYSA-N 1 0 593.128 6.468 1 0 KKAFRO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756741 562675197 /nfs/dbraw/zinc/67/51/97/562675197.db2.gz QEMGEAVSFHMSAA-JPQMRUPTSA-N 1 0 594.152 5.332 1 0 KKAFRO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049756738 562675222 /nfs/dbraw/zinc/67/52/22/562675222.db2.gz QEMGEAVSFHMSAA-HEIROHQZSA-N 1 0 594.152 5.332 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCc1cccc(Oc3ccc(C)cc3)c1)CC2 ZINC000049756974 562675341 /nfs/dbraw/zinc/67/53/41/562675341.db2.gz DTWKZNGXUYBMLT-HKBQPEDESA-N 1 0 545.768 6.262 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3F)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049757157 562675616 /nfs/dbraw/zinc/67/56/16/562675616.db2.gz IPIWNOAWKGRYOY-UHFFFAOYSA-N 1 0 558.683 5.814 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049767263 562677507 /nfs/dbraw/zinc/67/75/07/562677507.db2.gz ZGTHJDQZGGIPLL-UHFFFAOYSA-N 1 0 575.138 6.328 1 0 KKAFRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049775596 562679173 /nfs/dbraw/zinc/67/91/73/562679173.db2.gz LMZLCWZGOBCEDV-QHCPKHFHSA-N 1 0 533.628 5.222 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1cccs1 ZINC000049776357 562679440 /nfs/dbraw/zinc/67/94/40/562679440.db2.gz DJUGJHCIQRZZGU-RUZDIDTESA-N 1 0 657.702 6.200 1 0 KKAFRO COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049776997 562679492 /nfs/dbraw/zinc/67/94/92/562679492.db2.gz JGXCQBBQRBQGBJ-NDEPHWFRSA-N 1 0 624.786 5.420 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777032 562679547 /nfs/dbraw/zinc/67/95/47/562679547.db2.gz XEZUDLPFBHZQCR-PMERELPUSA-N 1 0 616.872 5.557 1 0 KKAFRO Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1 ZINC000049777088 562679663 /nfs/dbraw/zinc/67/96/63/562679663.db2.gz OTCVPAOGBITYCE-LHEWISCISA-N 1 0 650.908 6.257 1 0 KKAFRO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3coc4ccccc4c3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777179 562679745 /nfs/dbraw/zinc/67/97/45/562679745.db2.gz ILXYXYXLACPCHG-NDEPHWFRSA-N 1 0 677.802 5.741 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1 ZINC000049777276 562679866 /nfs/dbraw/zinc/67/98/66/562679866.db2.gz IFLAJVCAIZJOPG-HKBQPEDESA-N 1 0 616.872 5.496 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCC[NH+](C)C)ncn1 ZINC000049777419 562680004 /nfs/dbraw/zinc/68/00/04/562680004.db2.gz UOJUQBSCCIRCHS-UHFFFAOYSA-N 1 0 602.665 6.892 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777426 562680055 /nfs/dbraw/zinc/68/00/55/562680055.db2.gz MYXKMTKFUPOTOZ-JGCGQSQUSA-N 1 0 630.899 5.804 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049777448 562680065 /nfs/dbraw/zinc/68/00/65/562680065.db2.gz OXNNHDABPVRMSB-KPKJPENVSA-N 1 0 571.471 6.552 1 0 KKAFRO COc1cc(C(=O)N2COC[C@@](CCCN3CCC([NH+]4CCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049777555 562680260 /nfs/dbraw/zinc/68/02/60/562680260.db2.gz WJWKWKOYTXMYKM-YTTGMZPUSA-N 1 0 620.618 5.728 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3c(-c4ccc(C[NH+]5CCCC5)cc4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049777615 562680312 /nfs/dbraw/zinc/68/03/12/562680312.db2.gz APMUVXPIJNPXQE-UHFFFAOYSA-N 1 0 541.577 6.930 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1)Nc1cccnc1 ZINC000049777830 562680589 /nfs/dbraw/zinc/68/05/89/562680589.db2.gz NHQOSODHGLNYEK-UHFFFAOYSA-N 1 0 589.704 5.206 1 0 KKAFRO CN(CCCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777956 562680698 /nfs/dbraw/zinc/68/06/98/562680698.db2.gz OTHBAGWCTBAQJP-LJZAYONRSA-N 1 0 595.571 7.324 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 ZINC000049778186 562681047 /nfs/dbraw/zinc/68/10/47/562681047.db2.gz WIZZKBPYASAOGT-SSEXGKCCSA-N 1 0 638.614 6.364 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000049778324 562681181 /nfs/dbraw/zinc/68/11/81/562681181.db2.gz YWSRNMSVJIDYNV-DLFZDVPBSA-N 1 0 723.544 8.948 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000049778322 562681193 /nfs/dbraw/zinc/68/11/93/562681193.db2.gz YWSRNMSVJIDYNV-JTSJOTPCSA-N 1 0 723.544 8.948 1 0 KKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049780194 562681404 /nfs/dbraw/zinc/68/14/04/562681404.db2.gz ZUFUIYOZVFSEPX-DYKQPOOOSA-N 1 0 542.723 6.714 1 0 KKAFRO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049780281 562681557 /nfs/dbraw/zinc/68/15/57/562681557.db2.gz OSUIWAZYWFTOBU-MHZLTWQESA-N 1 0 610.759 5.030 1 0 KKAFRO COc1cccc(C[N@@H+](C[C@@H](Cc2ccccc2)NC(=O)OCc2nccs2)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)c1 ZINC000049780322 562681614 /nfs/dbraw/zinc/68/16/14/562681614.db2.gz PEKRVEUKQJQVHP-IOWSJCHKSA-N 1 0 685.872 6.486 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049780353 562681670 /nfs/dbraw/zinc/68/16/70/562681670.db2.gz QUSWFPJNJNRRPJ-IZZDOVSWSA-N 1 0 540.989 5.647 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCN2CC[NH+](C)CC2)ncn1 ZINC000049780439 562681709 /nfs/dbraw/zinc/68/17/09/562681709.db2.gz DUSWCXDALWVDSK-UHFFFAOYSA-N 1 0 629.691 5.798 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2=C(C)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780764 562682255 /nfs/dbraw/zinc/68/22/55/562682255.db2.gz BADHBCVHOLJGHU-DIPNUNPCSA-N 1 0 639.878 6.264 1 0 KKAFRO CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2c[n+]1Cc1ccccc1 ZINC000049783645 562683152 /nfs/dbraw/zinc/68/31/52/562683152.db2.gz NCIYLMNLEDYXFF-YTTGMZPUSA-O 1 0 568.697 6.083 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCOC)c1 ZINC000049783739 562683205 /nfs/dbraw/zinc/68/32/05/562683205.db2.gz GURZVIGBGHQFAY-WJOKGBTCSA-N 1 0 671.706 7.226 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784077 562683449 /nfs/dbraw/zinc/68/34/49/562683449.db2.gz GZPYZOSKISZVND-RUZDIDTESA-N 1 0 633.060 7.249 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785031 562683877 /nfs/dbraw/zinc/68/38/77/562683877.db2.gz XDQLMSRLTKRTOW-RUZDIDTESA-N 1 0 649.059 6.488 1 0 KKAFRO [NH3+][C@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccc(C(F)(F)F)cc2)C1 ZINC000049784950 562683888 /nfs/dbraw/zinc/68/38/88/562683888.db2.gz MINFAHUQQXNXRH-VWLOTQADSA-N 1 0 536.638 7.216 1 0 KKAFRO CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@H]3C[N@@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049793289 562684673 /nfs/dbraw/zinc/68/46/73/562684673.db2.gz KMNARKQYUZICHM-FULLSBAXSA-N 1 0 600.194 6.703 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5sccn54)n3)cc2)CC1 ZINC000049793536 562684939 /nfs/dbraw/zinc/68/49/39/562684939.db2.gz OPHRYHXTWRJEBA-UHFFFAOYSA-N 1 0 636.732 6.936 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCC(C)CC5)cc43)ccc2s1 ZINC000049802444 562685711 /nfs/dbraw/zinc/68/57/11/562685711.db2.gz FYBAHTGUPQKTLA-UHFFFAOYSA-N 1 0 534.682 6.274 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCCC5)c4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049803056 562685984 /nfs/dbraw/zinc/68/59/84/562685984.db2.gz LHPRXXKFQZEGMG-UHFFFAOYSA-N 1 0 581.724 8.020 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCOc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000049803185 562686059 /nfs/dbraw/zinc/68/60/59/562686059.db2.gz UBNNFRWMIILCFJ-UHFFFAOYSA-N 1 0 504.990 5.979 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccccc3)C(=O)O[C@@]21C ZINC000049803946 562686250 /nfs/dbraw/zinc/68/62/50/562686250.db2.gz JUNOMONXAJGBCY-IDIDBGRKSA-N 1 0 700.914 5.174 1 0 KKAFRO C[NH+](C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[n-]6)CC5)cc4)nc3n2)CC1 ZINC000049832963 562687326 /nfs/dbraw/zinc/68/73/26/562687326.db2.gz IPKCBFKZZCKGDL-UHFFFAOYSA-N 1 0 693.860 5.129 1 0 KKAFRO C[NH+]1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7nnc(-c8ccccn8)[n-]7)CC6)cc5)nc4n3)CC2)C1 ZINC000049833228 562687620 /nfs/dbraw/zinc/68/76/20/562687620.db2.gz QIMZVHOQNSASMQ-UHFFFAOYSA-N 1 0 677.861 5.355 1 0 KKAFRO O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000049833415 562687770 /nfs/dbraw/zinc/68/77/70/562687770.db2.gz MFJHTTMHVKQDSM-LEAFIULHSA-N 1 0 643.593 5.525 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000049833586 562687923 /nfs/dbraw/zinc/68/79/23/562687923.db2.gz FBIOXQLHIASGCT-UHFFFAOYSA-N 1 0 667.295 5.278 1 0 KKAFRO OCC[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[n-]6)CC5)cc4)nc3n2)CC1 ZINC000049841536 562688434 /nfs/dbraw/zinc/68/84/34/562688434.db2.gz RKJKVLYWYOKZCG-UHFFFAOYSA-N 1 0 652.807 5.033 1 0 KKAFRO CC[C@H](C)[C@H]1C(=O)Nc2ccc(NCCOCCOCC[NH3+])cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 ZINC000049850701 562688747 /nfs/dbraw/zinc/68/87/47/562688747.db2.gz GQOCMXKHMVBLPM-JRPXNJEYSA-N 1 0 652.718 5.595 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867220 562689351 /nfs/dbraw/zinc/68/93/51/562689351.db2.gz RLWWCATZTPAPKW-JIZBBPSKSA-N 1 0 541.736 6.194 1 0 KKAFRO [NH3+]C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000049867767 562689674 /nfs/dbraw/zinc/68/96/74/562689674.db2.gz VEQOEEQRVZZGQZ-AWEZNQCLSA-N 1 0 523.378 5.373 1 0 KKAFRO CCC[NH+]1CCC(Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000049872277 562689912 /nfs/dbraw/zinc/68/99/12/562689912.db2.gz IVAMLBGGCGJJFO-VQHVLOKHSA-N 1 0 601.657 7.034 1 0 KKAFRO CCC[C@H]1CCCCN1C(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(Br)cc2)n3C)ccn1 ZINC000049872373 562689974 /nfs/dbraw/zinc/68/99/74/562689974.db2.gz XTXUJHNEHHATPI-NRFANRHFSA-N 1 0 548.485 7.062 1 0 KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCCCC1 ZINC000049878534 562690688 /nfs/dbraw/zinc/69/06/88/562690688.db2.gz CFNBMDAXVAJPSE-ZCYQVOJMSA-N 1 0 540.717 6.402 1 0 KKAFRO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)cc1 ZINC000049881715 562691074 /nfs/dbraw/zinc/69/10/74/562691074.db2.gz HWASIWRDDYUNPA-NRFANRHFSA-N 1 0 557.927 5.503 1 0 KKAFRO CCOCCCO[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000049881789 562691120 /nfs/dbraw/zinc/69/11/20/562691120.db2.gz ROSNWPZDWRIOHS-QSEAXJEQSA-N 1 0 542.592 6.458 1 0 KKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCCCCC[NH2+]CCCc2ccccn2)cc1 ZINC000049881775 562691135 /nfs/dbraw/zinc/69/11/35/562691135.db2.gz WPWFIXFESGBHSL-AARKOHAPSA-N 1 0 578.797 8.339 1 0 KKAFRO Cc1ccc([C@@H](NC(=O)CCCOc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)C(N)=[NH2+])cc1 ZINC000049888679 562691375 /nfs/dbraw/zinc/69/13/75/562691375.db2.gz DFYBQRFNCQVXQF-AREMUKBSSA-N 1 0 537.451 5.502 1 0 KKAFRO Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3ccn12 ZINC000049889525 562692159 /nfs/dbraw/zinc/69/21/59/562692159.db2.gz UVESBJXBNNCHGR-UHFFFAOYSA-N 1 0 578.684 5.753 1 0 KKAFRO COc1cc(CN2CC[N@H+]([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000049893063 562692252 /nfs/dbraw/zinc/69/22/52/562692252.db2.gz ONJMXWFIKVVLCT-SAIUNTKASA-N 1 0 702.736 8.437 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917559 562693595 /nfs/dbraw/zinc/69/35/95/562693595.db2.gz DPBDEJSHFAVZAV-RTWAWAEBSA-N 1 0 603.488 6.781 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(C)cc1OCCO[C@@H]1CCCCO1 ZINC000049917666 562693723 /nfs/dbraw/zinc/69/37/23/562693723.db2.gz HXGRRVRFCMSWCW-PSXMRANNSA-N 1 0 652.798 8.301 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@H](NC(=S)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917679 562693765 /nfs/dbraw/zinc/69/37/65/562693765.db2.gz AVGGLWCCZIZIFS-SANMLTNESA-N 1 0 603.641 6.225 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1CCCc2ccccc21)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049917713 562693783 /nfs/dbraw/zinc/69/37/83/562693783.db2.gz BKTMOMBFJLMNTP-DHWXLLNHSA-N 1 0 565.758 5.840 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049917756 562693854 /nfs/dbraw/zinc/69/38/54/562693854.db2.gz AKJSKQCLCCZDJM-SOFGYWHQSA-N 1 0 573.352 6.235 1 0 KKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(I)c(Cl)c1 ZINC000049917769 562693917 /nfs/dbraw/zinc/69/39/17/562693917.db2.gz DUUOQWBYGLNZGA-UHFFFAOYSA-N 1 0 564.899 6.597 1 0 KKAFRO O=c1cc(NCC[C@H](C[NH2+]CCc2ccccc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917821 562693939 /nfs/dbraw/zinc/69/39/39/562693939.db2.gz DLYOUUBWJDFSFV-XMMPIXPASA-N 1 0 598.383 5.846 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917856 562694018 /nfs/dbraw/zinc/69/40/18/562694018.db2.gz DJGWKTWKRTXWLC-RTWAWAEBSA-N 1 0 619.943 7.295 1 0 KKAFRO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCC[C@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917841 562694031 /nfs/dbraw/zinc/69/40/31/562694031.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 1 0 572.540 8.171 1 0 KKAFRO Cc1[nH]c2ccc(O)cc2c1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3c(Cl)cccc3Cl)CC2)CC1 ZINC000049917920 562694137 /nfs/dbraw/zinc/69/41/37/562694137.db2.gz HHBYXZMAJSHRRZ-ZRDIBKRKSA-N 1 0 540.535 7.057 1 0 KKAFRO O=C(NCC[NH+]1CCC(c2ccncc2)CC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000049918001 562694239 /nfs/dbraw/zinc/69/42/39/562694239.db2.gz FBNCGOSCVOPMLW-UHFFFAOYSA-N 1 0 585.712 6.761 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000049917970 562694261 /nfs/dbraw/zinc/69/42/61/562694261.db2.gz DIURPLJNGKEPCI-SSVWKNEZSA-N 1 0 557.349 6.951 1 0 KKAFRO O=C(Nc1nc2cc(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)ccc2n1CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000049917973 562694293 /nfs/dbraw/zinc/69/42/93/562694293.db2.gz IHTXLGDMGVBZLB-UHFFFAOYSA-N 1 0 620.990 6.213 1 0 KKAFRO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(C/C=C/c6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049918070 562694397 /nfs/dbraw/zinc/69/43/97/562694397.db2.gz GLSJDNLNRJJOHX-WIZGORBTSA-N 1 0 631.840 6.047 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2)CC1 ZINC000049926547 562694736 /nfs/dbraw/zinc/69/47/36/562694736.db2.gz DNDVGFIEWOHGAH-UHFFFAOYSA-N 1 0 557.580 5.481 1 0 KKAFRO CCc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053050493 562696141 /nfs/dbraw/zinc/69/61/41/562696141.db2.gz ORWVKNRINMANEF-UHFFFAOYSA-N 1 0 615.641 5.361 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053059129 562696163 /nfs/dbraw/zinc/69/61/63/562696163.db2.gz YNJXLRWECIJSPA-UHFFFAOYSA-N 1 0 603.649 6.112 1 0 in-vitro KKAFRO O=C(CCCCCN1c2ccccc2Sc2ccccc21)NCc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1 ZINC000053188641 562696436 /nfs/dbraw/zinc/69/64/36/562696436.db2.gz VDBWNYCPNLLUCE-UHFFFAOYSA-N 1 0 633.855 6.048 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 ZINC000053243810 562696873 /nfs/dbraw/zinc/69/68/73/562696873.db2.gz YGKUWFNPRSRENZ-LJAQVGFWSA-N 1 0 533.713 5.617 1 0 KKAFRO CC1(NC(=O)Cc2ccc(F)cc2)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053296366 562697369 /nfs/dbraw/zinc/69/73/69/562697369.db2.gz RTWXWMWFFPNLRJ-MHZLTWQESA-N 1 0 511.657 5.306 1 0 KKAFRO Cn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000055646883 562697735 /nfs/dbraw/zinc/69/77/35/562697735.db2.gz GSRFNZQXYDIODH-DEIXXNFJSA-N 1 0 554.779 5.939 1 0 KKAFRO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058487867 562698161 /nfs/dbraw/zinc/69/81/61/562698161.db2.gz YCICRBGKZHPFJT-NRUKRWIHSA-N 1 0 548.127 5.705 1 0 KKAFRO CCOc1cccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000058508798 562698404 /nfs/dbraw/zinc/69/84/04/562698404.db2.gz PPBGNSZPDCEZLQ-ULZCMHILSA-N 1 0 561.682 5.880 1 0 KKAFRO CS(=O)(=O)NCCCn1c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058582847 562699979 /nfs/dbraw/zinc/69/99/79/562699979.db2.gz LSAFCWIWFVDRJD-UHFFFAOYSA-N 1 0 695.113 5.668 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000058583161 562700015 /nfs/dbraw/zinc/70/00/15/562700015.db2.gz QJBBOYHOSJOQGY-UHFFFAOYSA-N 1 0 516.089 6.378 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058583387 562700080 /nfs/dbraw/zinc/70/00/80/562700080.db2.gz XLXRRMPJDHQGKQ-UHFFFAOYSA-N 1 0 523.468 5.531 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCC(F)(F)c3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058590460 562700323 /nfs/dbraw/zinc/70/03/23/562700323.db2.gz SBHVYCDQRFBRBW-UHFFFAOYSA-N 1 0 520.599 6.875 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000058592507 562700616 /nfs/dbraw/zinc/70/06/16/562700616.db2.gz MEKFOGAQHJRQIP-HSZRJFAPSA-N 1 0 635.032 6.696 1 0 KKAFRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000058643869 562701229 /nfs/dbraw/zinc/70/12/29/562701229.db2.gz CWPYEAPHWBNCJQ-DNQXCXABSA-N 1 0 518.529 5.820 1 0 KKAFRO CC[NH+](CC)CCCc1c(C=C2c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058655472 562701395 /nfs/dbraw/zinc/70/13/95/562701395.db2.gz HZGUNBBYCUIOFD-QQTULTPQSA-N 1 0 572.731 5.052 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3F)cc2)c(Cl)c1 ZINC000059031236 562701585 /nfs/dbraw/zinc/70/15/85/562701585.db2.gz ZUNPKGJBZFDEPB-JOCHJYFZSA-N 1 0 558.908 8.504 1 0 KKAFRO COc1cc(-c2ccccc2Cl)ccc1[C@@H](C[NH3+])Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1 ZINC000059031241 562701636 /nfs/dbraw/zinc/70/16/36/562701636.db2.gz RIINYUGVNAMTRL-HSZRJFAPSA-N 1 0 570.944 8.374 1 0 KKAFRO CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687911 562702145 /nfs/dbraw/zinc/70/21/45/562702145.db2.gz AXZSTWFPHUHVFF-DNQXCXABSA-N 1 0 506.731 7.868 1 0 KKAFRO COc1cc([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000059744851 562702231 /nfs/dbraw/zinc/70/22/31/562702231.db2.gz UNKQRIKLJYKDOX-WIOPSUGQSA-N 1 0 587.713 6.757 3 0 KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059796297 562702296 /nfs/dbraw/zinc/70/22/96/562702296.db2.gz ALLKBIANVUTXDD-KOBWGQNTSA-N 1 0 511.591 7.184 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000059796279 562702327 /nfs/dbraw/zinc/70/23/27/562702327.db2.gz KWUONWKBBNMQAD-OWGSQAEBSA-N 1 0 567.651 8.181 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000059796435 562702380 /nfs/dbraw/zinc/70/23/80/562702380.db2.gz JTGKUZGKSYNODZ-FSOZDLKISA-N 1 0 500.642 6.557 3 0 KKAFRO C[NH+](C)[C@@H]1CCc2c(c3cc(Br)ccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000060325703 562702684 /nfs/dbraw/zinc/70/26/84/562702684.db2.gz OHLIBZZIOZMXIN-OAHLLOKOSA-N 1 0 501.368 5.079 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1ccccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905699 562703038 /nfs/dbraw/zinc/70/30/38/562703038.db2.gz WKOVGSLPZKLPJM-RUZDIDTESA-N 1 0 518.872 6.038 3 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc(OC)c1 ZINC000061906410 562703081 /nfs/dbraw/zinc/70/30/81/562703081.db2.gz WXIIXROMGVLSQR-SSEXGKCCSA-N 1 0 513.613 5.509 3 0 KKAFRO O=C(OCc1cn([C@H]2C[N@@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923663 562703510 /nfs/dbraw/zinc/70/35/10/562703510.db2.gz CXQUFXAIHBRRMW-PVHODMMVSA-N 1 0 509.050 5.218 3 0 KKAFRO CCCCn1c2ccccc2c2cc(CNCCC[NH+](C)C)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447002 562705297 /nfs/dbraw/zinc/70/52/97/562705297.db2.gz DGDXUWKEPHJBBJ-UHFFFAOYSA-N 1 0 504.675 5.724 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447506 562705387 /nfs/dbraw/zinc/70/53/87/562705387.db2.gz BWLFYVMGFWJXLQ-BNMUCDHPSA-N 1 0 550.106 6.765 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064448391 562705497 /nfs/dbraw/zinc/70/54/97/562705497.db2.gz OKZWPEYBUNXJRT-VXKWHMMOSA-N 1 0 516.584 5.033 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2c1cc(F)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448390 562705503 /nfs/dbraw/zinc/70/55/03/562705503.db2.gz TUDBQXAJQWDULL-ZCVJKFOLSA-N 1 0 515.596 5.948 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064448887 562705587 /nfs/dbraw/zinc/70/55/87/562705587.db2.gz VNUQQIBXPYYBII-WJOKGBTCSA-N 1 0 590.189 5.299 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CC[C@]3(C2)CCCc2cc(Br)ccc23)n1C ZINC000064514029 562706527 /nfs/dbraw/zinc/70/65/27/562706527.db2.gz LJOIJDZCFSDRBE-QHCPKHFHSA-N 1 0 502.482 5.003 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@]3(O)CC[NH2+]C[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1 ZINC000064513765 562706455 /nfs/dbraw/zinc/70/64/55/562706455.db2.gz BUELDWWCLYPLID-LHXZUMEBSA-N 1 0 597.583 6.365 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCCCO ZINC000064526382 562706662 /nfs/dbraw/zinc/70/66/62/562706662.db2.gz YFBGGEXKJZYHIC-UHFFFAOYSA-N 1 0 512.626 5.563 1 0 KKAFRO Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1 ZINC000064527641 562707069 /nfs/dbraw/zinc/70/70/69/562707069.db2.gz VSKXHTKFUAQYIC-UHFFFAOYSA-N 1 0 563.673 6.172 1 0 KKAFRO CCCC(=O)Oc1c(OC)ccc2c1c[n+]1c(c2Cc2ccc(C(C)C)cc2)-c2cc3c(cc2CC1)OCO3 ZINC000064527949 562707201 /nfs/dbraw/zinc/70/72/01/562707201.db2.gz YYQCPOIJAZVFCU-UHFFFAOYSA-N 1 0 524.637 6.507 1 0 KKAFRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064540506 562707766 /nfs/dbraw/zinc/70/77/66/562707766.db2.gz LCEDLVNAZPHDLS-HSZRJFAPSA-N 1 0 502.684 5.480 1 0 KKAFRO CCN(CC[NH+](C)C)C(=O)c1cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)ccc1C ZINC000064548940 562707969 /nfs/dbraw/zinc/70/79/69/562707969.db2.gz KINJGGAJWKHPNT-UHFFFAOYSA-N 1 0 540.712 6.299 1 0 KKAFRO COCCCN1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064549021 562707975 /nfs/dbraw/zinc/70/79/75/562707975.db2.gz JCKPXXCMARLTQI-UHFFFAOYSA-N 1 0 616.170 5.752 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4cncnc4)cc3C)cc2)c(Cl)c1 ZINC000064549011 562707981 /nfs/dbraw/zinc/70/79/81/562707981.db2.gz ZZSISKROUSJEHP-QHCPKHFHSA-N 1 0 522.476 6.810 1 0 KKAFRO COc1ccc(C2(CCC[N@@H+]3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549896 562708171 /nfs/dbraw/zinc/70/81/71/562708171.db2.gz YACCVVUNICRPSW-HKBQPEDESA-N 1 0 531.693 5.872 1 0 KKAFRO [NH3+]Cc1ccc([C@H]2O[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)C[C@@H](c3ccc(CO)cc3)O2)cc1 ZINC000064553164 562708250 /nfs/dbraw/zinc/70/82/50/562708250.db2.gz LHHFSQJSPYQFHV-ROCBYOHGSA-N 1 0 564.707 7.297 1 0 KKAFRO CC(C)(C(=O)Nc1ccc(N2CCC3(CC[N@H+](CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 ZINC000064559266 562708407 /nfs/dbraw/zinc/70/84/07/562708407.db2.gz PZAIVSQWZAHADG-UHFFFAOYSA-N 1 0 536.042 5.767 1 0 KKAFRO CC1(C)COC(CCC[N@@H+]2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559935 562708448 /nfs/dbraw/zinc/70/84/48/562708448.db2.gz KGQQZJWWWKYPSC-PMERELPUSA-N 1 0 519.657 6.002 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593837 562708805 /nfs/dbraw/zinc/70/88/05/562708805.db2.gz VOTBTNSFNLURLT-OETVIHDQSA-N 1 0 568.639 7.576 3 0 KKAFRO CC(C)([NH3+])c1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000064746492 562709107 /nfs/dbraw/zinc/70/91/07/562709107.db2.gz NHVJQLRLGGPUJY-KRWDZBQOSA-N 1 0 538.570 5.715 1 0 in-vitro KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066193 562709310 /nfs/dbraw/zinc/70/93/10/562709310.db2.gz AKNNBMGJZOFXCC-LHXZUMEBSA-N 1 0 578.584 6.346 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066444 562709387 /nfs/dbraw/zinc/70/93/87/562709387.db2.gz XQZPJUKBNPBJEI-YDYNHKSESA-N 1 0 578.584 6.346 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073704 562709525 /nfs/dbraw/zinc/70/95/25/562709525.db2.gz BHFWFRYXVQJKHL-QVWWMRLHSA-N 1 0 632.554 7.056 1 0 KKAFRO CSc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073708 562709564 /nfs/dbraw/zinc/70/95/64/562709564.db2.gz WKAVKEJZJBPTLN-VCTRWQRLSA-N 1 0 610.651 6.759 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCCNc3nc4ccccc4c(NCc4ccco4)n3)CC2)c1Cl ZINC000066075742 562710029 /nfs/dbraw/zinc/71/00/29/562710029.db2.gz LRTFVZOJATWSOS-UHFFFAOYSA-N 1 0 525.484 6.156 1 0 KKAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@@H+]2CCC[C@@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075873 562710046 /nfs/dbraw/zinc/71/00/46/562710046.db2.gz XPNVWCRSEYTHES-QJHFLPEYSA-N 1 0 602.687 5.171 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077231 562710294 /nfs/dbraw/zinc/71/02/94/562710294.db2.gz JRVSGBSKZMZOOC-XIFFEERXSA-N 1 0 646.898 5.470 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000066079096 562710598 /nfs/dbraw/zinc/71/05/98/562710598.db2.gz SIAQPNFTQQNHGO-PMERELPUSA-N 1 0 623.722 7.162 1 0 KKAFRO Cc1nnc(-c2ccccc2)n1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066080076 562710709 /nfs/dbraw/zinc/71/07/09/562710709.db2.gz MLBRLXKHSAHTOE-MHZLTWQESA-N 1 0 529.710 5.043 1 0 KKAFRO CCc1nc(Cc2ccccc2)cn1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097307 562710781 /nfs/dbraw/zinc/71/07/81/562710781.db2.gz NVLXALPQAJFRPI-GDLZYMKVSA-N 1 0 556.776 5.826 1 0 KKAFRO C[C@H](C[NH2+][C@@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100833 562711313 /nfs/dbraw/zinc/71/13/13/562711313.db2.gz JSZDJCIBUSBZII-TYZTUCMESA-N 1 0 629.805 6.455 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCSCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104217 562711665 /nfs/dbraw/zinc/71/16/65/562711665.db2.gz SQQKRSWGMFFDCR-LQCSZWMHSA-N 1 0 583.680 5.258 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066104366 562711731 /nfs/dbraw/zinc/71/17/31/562711731.db2.gz WKFMUOPTBLEHRE-QFIPXVFZSA-N 1 0 540.455 5.248 1 0 KKAFRO CC(C)[NH2+]Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000066123266 562712485 /nfs/dbraw/zinc/71/24/85/562712485.db2.gz KMAPDDXWMUJZRU-FQEVSTJZSA-N 1 0 552.597 6.019 1 0 KKAFRO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066123467 562712525 /nfs/dbraw/zinc/71/25/25/562712525.db2.gz WYRQQURJJXPEAL-DEOSSOPVSA-N 1 0 552.597 5.590 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066136525 562713149 /nfs/dbraw/zinc/71/31/49/562713149.db2.gz NAFLFKJXMLUGLF-MHPIHPPYSA-N 1 0 603.604 5.267 3 0 KKAFRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066258629 562714993 /nfs/dbraw/zinc/71/49/93/562714993.db2.gz RGJHDNWUJGGDSL-SZPZYZBQSA-N 1 0 580.685 5.369 1 0 KKAFRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000068247202 562716167 /nfs/dbraw/zinc/71/61/67/562716167.db2.gz GDJZHWZFVWEHTI-UHFFFAOYSA-N 1 0 538.644 5.946 1 0 KKAFRO CSCC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251030 562716271 /nfs/dbraw/zinc/71/62/71/562716271.db2.gz SVDARJHLGCNCRG-UHFFFAOYSA-N 1 0 549.071 7.458 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCn1cc(N(C(C)C)C(C)C)nn1)CCc1cc2c(cc1-3)OCO2 ZINC000071281174 562716631 /nfs/dbraw/zinc/71/66/31/562716631.db2.gz NTKZBMGEOOJSMU-UHFFFAOYSA-N 1 0 544.676 5.162 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1 ZINC000071282015 562716753 /nfs/dbraw/zinc/71/67/53/562716753.db2.gz XADCPFZWWNPNJO-ULJKERAFSA-N 1 0 611.812 5.424 1 0 KKAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(C(C)(C)F)OC[C@@]41C)[NH+](C)C ZINC000071294408 562716878 /nfs/dbraw/zinc/71/68/78/562716878.db2.gz IIOIREJLGHVBEW-PVSMGPIOSA-N 1 0 502.715 5.051 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071315982 562717826 /nfs/dbraw/zinc/71/78/26/562717826.db2.gz QPAOZNRVQHQTBH-XRHLQHRESA-N 1 0 614.923 8.101 1 0 KKAFRO COc1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071316345 562717901 /nfs/dbraw/zinc/71/79/01/562717901.db2.gz FLCOWDAPEOXPIR-DNOBIOAJSA-N 1 0 611.492 6.852 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317349 562718227 /nfs/dbraw/zinc/71/82/27/562718227.db2.gz VXCFNXWSONWJOA-GOSISDBHSA-N 1 0 594.461 6.952 1 0 KKAFRO O=C(Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3)CC2)c1)c1ccccc1 ZINC000071317758 562718298 /nfs/dbraw/zinc/71/82/98/562718298.db2.gz CADHMVFLBYSITK-UHFFFAOYSA-N 1 0 549.118 7.879 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000071318215 562718416 /nfs/dbraw/zinc/71/84/16/562718416.db2.gz IJZXDBMVGXKQFO-LBNVMWSVSA-N 1 0 537.100 5.834 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318514 562718499 /nfs/dbraw/zinc/71/84/99/562718499.db2.gz SEGQUBJRIWCWBZ-QUGAMOGWSA-N 1 0 615.911 7.496 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Br)cc3)CC2)c1 ZINC000071329925 562719045 /nfs/dbraw/zinc/71/90/45/562719045.db2.gz VGOMSEQXNMIQQZ-UHFFFAOYSA-N 1 0 531.498 6.694 1 0 KKAFRO Cc1ccnc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071330084 562719098 /nfs/dbraw/zinc/71/90/98/562719098.db2.gz RUEHTYDIJMMJEX-UZTOHYMASA-N 1 0 595.493 7.151 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C2=NOCc3cc(Br)ccc32)CC1 ZINC000071330623 562719169 /nfs/dbraw/zinc/71/91/69/562719169.db2.gz LZPAZFLZEUXWCJ-CQSZACIVSA-N 1 0 540.289 5.306 1 0 KKAFRO O=C(Cn1c(=O)c2cc(-c3ccccc3C[NH+]3CCCCC3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071334175 562719546 /nfs/dbraw/zinc/71/95/46/562719546.db2.gz FNDPVIJZDJUNTN-UHFFFAOYSA-N 1 0 506.650 5.243 1 0 KKAFRO COc1ccccc1/C=C1\C[N@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1OC ZINC000071341229 562719936 /nfs/dbraw/zinc/71/99/36/562719936.db2.gz VHYNUZUMDXUILC-BHAFLUAZSA-N 1 0 569.061 6.132 1 0 KKAFRO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072106152 562720901 /nfs/dbraw/zinc/72/09/01/562720901.db2.gz SDELPNZPQHTXIM-UHFFFAOYSA-N 1 0 523.681 5.107 1 0 KKAFRO C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111343 562721929 /nfs/dbraw/zinc/72/19/29/562721929.db2.gz PJFNGAJTUJXYCG-GNMZEDAFSA-N 1 0 642.769 7.962 1 0 KKAFRO C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112583 562722110 /nfs/dbraw/zinc/72/21/10/562722110.db2.gz CVQACAZVGMEGHZ-MBGPZUCASA-N 1 0 541.220 6.578 1 0 KKAFRO C[C@@H]1CN(Cc2cccnc2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112582 562722140 /nfs/dbraw/zinc/72/21/40/562722140.db2.gz BOTVTRFOBIZTJI-PNVPDAQQSA-N 1 0 507.763 5.319 1 0 KKAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)C[NH2+]CCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc32)c1 ZINC000072115342 562723001 /nfs/dbraw/zinc/72/30/01/562723001.db2.gz FFEBPVDKQMAKNA-SVBPBHIXSA-N 1 0 670.943 7.962 1 0 KKAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[NH2+]CCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc32)c1 ZINC000072115341 562723002 /nfs/dbraw/zinc/72/30/02/562723002.db2.gz FFEBPVDKQMAKNA-KAYWLYCHSA-N 1 0 670.943 7.962 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118156 562723418 /nfs/dbraw/zinc/72/34/18/562723418.db2.gz KYIVTVHLBYHQGA-QLXKLKPCSA-N 1 0 560.542 7.556 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1 ZINC000072118705 562723651 /nfs/dbraw/zinc/72/36/51/562723651.db2.gz DDUKMGHQKGRAAG-COTCUIFISA-N 1 0 565.799 6.463 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123637 562724756 /nfs/dbraw/zinc/72/47/56/562724756.db2.gz YUJFTKLYMNNTRQ-NLGDKJDOSA-N 1 0 633.447 7.344 1 0 KKAFRO Cc1cc(OS(=O)(=O)c2ccccc2)cc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000072123788 562725051 /nfs/dbraw/zinc/72/50/51/562725051.db2.gz GCFLTOHGDAHARG-IWWXRALLSA-N 1 0 687.884 5.227 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000072125929 562725273 /nfs/dbraw/zinc/72/52/73/562725273.db2.gz QEUMZRGQWVOUCP-FPHSBRQASA-N 1 0 546.546 5.176 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccc(Cl)cc12 ZINC000072126273 562725324 /nfs/dbraw/zinc/72/53/24/562725324.db2.gz YYQHIJSECSLEJL-SSEXGKCCSA-N 1 0 541.095 6.141 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126775 562725357 /nfs/dbraw/zinc/72/53/57/562725357.db2.gz SUUNCWUXVWQQTA-ZYADHFCISA-N 1 0 670.005 6.129 3 0 KKAFRO C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000072126791 562725379 /nfs/dbraw/zinc/72/53/79/562725379.db2.gz CWZXBJMDDIOGRX-HYUGZUBYSA-N 1 0 651.776 7.939 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072127652 562725765 /nfs/dbraw/zinc/72/57/65/562725765.db2.gz HMCLAGFKTYIJCB-KECSPFHLSA-N 1 0 648.726 6.784 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127660 562725776 /nfs/dbraw/zinc/72/57/76/562725776.db2.gz KDYSWVIVVGBOTF-BBACVFHCSA-N 1 0 686.004 5.835 3 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2csc3ccccc3c2=O)cc1 ZINC000072127894 562725933 /nfs/dbraw/zinc/72/59/33/562725933.db2.gz UBIVOHXXYFLEAS-GDLZYMKVSA-N 1 0 508.687 6.722 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000072128774 562726326 /nfs/dbraw/zinc/72/63/26/562726326.db2.gz IYBHNCDTZRPADL-FITHBNAOSA-N 1 0 664.247 6.217 1 0 KKAFRO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134158 562727258 /nfs/dbraw/zinc/72/72/58/562727258.db2.gz SBLSCNQSOAHLKU-LEIVTSANSA-N 1 0 662.856 6.867 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138196 562728710 /nfs/dbraw/zinc/72/87/10/562728710.db2.gz JGXAZWMUHRDECC-ZLRJYYBNSA-N 1 0 525.693 5.335 3 0 KKAFRO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139730 562729045 /nfs/dbraw/zinc/72/90/45/562729045.db2.gz LQPTVZHZAJXDIG-PMERELPUSA-N 1 0 561.513 6.447 3 0 KKAFRO O[C@H](CNCC[NH+](C1CCCCC1)C1CCCCC1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072140937 562729187 /nfs/dbraw/zinc/72/91/87/562729187.db2.gz QLHYHVQTKZMFAO-HSZRJFAPSA-N 1 0 531.585 6.863 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072141024 562729246 /nfs/dbraw/zinc/72/92/46/562729246.db2.gz GLCILIXBJHCTML-SPWOZAQASA-N 1 0 720.021 6.031 3 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000072147607 562729763 /nfs/dbraw/zinc/72/97/63/562729763.db2.gz IZSGQPAFIIQCJJ-NHKHRBQYSA-N 1 0 672.097 7.081 1 0 KKAFRO CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147663 562729780 /nfs/dbraw/zinc/72/97/80/562729780.db2.gz TVMDRXNOEWPGJS-WDYNHAJCSA-N 1 0 673.081 6.976 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCC[NH2+]C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171763 562730502 /nfs/dbraw/zinc/73/05/02/562730502.db2.gz AOKNTGGOILWSCK-HSZRJFAPSA-N 1 0 544.604 5.177 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[N@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172006 562730552 /nfs/dbraw/zinc/73/05/52/562730552.db2.gz QQLMRUWZPSJDOW-HSZRJFAPSA-N 1 0 544.604 5.211 1 0 KKAFRO COc1ccc(CC[NH+](C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172292 562730671 /nfs/dbraw/zinc/73/06/71/562730671.db2.gz HYAMGVKMAKVYBM-XOHWUJONSA-N 1 0 723.867 5.806 1 0 KKAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173161 562730813 /nfs/dbraw/zinc/73/08/13/562730813.db2.gz LREBZSFQVNJDOZ-UIXCGLKTSA-N 1 0 547.696 5.251 1 0 KKAFRO CC(C)c1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@@H+](C)CC4)n2)s1 ZINC000072176153 562731567 /nfs/dbraw/zinc/73/15/67/562731567.db2.gz KLEUWSFCKXAIKJ-UHFFFAOYSA-N 1 0 596.782 6.923 1 0 KKAFRO Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1 ZINC000072181035 562732630 /nfs/dbraw/zinc/73/26/30/562732630.db2.gz UIBPLELQTBSRIZ-UHFFFAOYSA-N 1 0 520.608 5.902 1 0 in-vitro KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318473 562733247 /nfs/dbraw/zinc/73/32/47/562733247.db2.gz SPLGKYRHYYLJLJ-WTVRZORLSA-N 1 0 570.478 5.613 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000073198193 562735626 /nfs/dbraw/zinc/73/56/26/562735626.db2.gz WOERJSXSTHFFHD-LJQANCHMSA-N 1 0 624.838 7.484 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccc(Cl)cc2)c2ccc(Br)cc2)CC1 ZINC000073198195 562735630 /nfs/dbraw/zinc/73/56/30/562735630.db2.gz NXCBLDPRJDFZIB-LJQANCHMSA-N 1 0 624.838 7.484 1 0 KKAFRO Cc1ccncc1CN(c1ccc(N2CCOCC2)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 ZINC000073199069 562735931 /nfs/dbraw/zinc/73/59/31/562735931.db2.gz QNNZRJMQKNQSSS-AREMUKBSSA-N 1 0 605.227 5.571 1 0 KKAFRO C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073200463 562736093 /nfs/dbraw/zinc/73/60/93/562736093.db2.gz ICOSYVSOVJKLQU-SSEXGKCCSA-N 1 0 595.571 5.220 1 0 KKAFRO O=C(N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2coc3cc(Cl)ccc3c2=O)cc1 ZINC000073222161 562736333 /nfs/dbraw/zinc/73/63/33/562736333.db2.gz RXSAXCMUQPTDPV-LJAQVGFWSA-N 1 0 527.064 6.907 1 0 KKAFRO CC(C)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000073223135 562736429 /nfs/dbraw/zinc/73/64/29/562736429.db2.gz PTNCJTBBANMOLZ-BAURHKQJSA-N 1 0 506.090 5.846 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4ccc(Cl)cc4c3=O)CC2)c1 ZINC000073222741 562736441 /nfs/dbraw/zinc/73/64/41/562736441.db2.gz VKZMHFHAIRROAK-UHFFFAOYSA-N 1 0 549.502 6.598 1 0 KKAFRO COc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073223515 562736494 /nfs/dbraw/zinc/73/64/94/562736494.db2.gz QKADSHKUXVGWTL-FXVJXKIMSA-N 1 0 557.764 5.759 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073224041 562736570 /nfs/dbraw/zinc/73/65/70/562736570.db2.gz VSENKZAZCHPZLF-FPNNDXFKSA-N 1 0 586.827 6.637 1 0 KKAFRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224882 562736764 /nfs/dbraw/zinc/73/67/64/562736764.db2.gz DTGHHSLSYKIYHB-DMTNHVFBSA-N 1 0 525.118 5.196 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ccncc23)cc1 ZINC000073275033 562737261 /nfs/dbraw/zinc/73/72/61/562737261.db2.gz HQSUPEKUWPDHCM-QHCPKHFHSA-N 1 0 509.355 6.898 1 0 KKAFRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073291812 562737486 /nfs/dbraw/zinc/73/74/86/562737486.db2.gz WEURIKGHASMEEJ-RUZDIDTESA-N 1 0 513.469 5.362 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4cc(F)cc(F)c4F)c4ccccc4c3=O)CC2)c1 ZINC000073386625 562738531 /nfs/dbraw/zinc/73/85/31/562738531.db2.gz YSEMDDIGVSGXKZ-UHFFFAOYSA-N 1 0 534.582 5.709 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073389288 562738565 /nfs/dbraw/zinc/73/85/65/562738565.db2.gz XSUVWOZRVRXKBK-PBBMNAFMSA-N 1 0 572.697 6.122 1 0 KKAFRO Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000082136604 562738896 /nfs/dbraw/zinc/73/88/96/562738896.db2.gz CTGSOWJIAUEWCB-JGCGQSQUSA-N 1 0 675.758 5.611 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)[C@@H]2c2ccccc2)CC1 ZINC000082136615 562738932 /nfs/dbraw/zinc/73/89/32/562738932.db2.gz NZJHWWRGRCHXEQ-YTTGMZPUSA-N 1 0 704.756 5.105 1 0 KKAFRO Cc1nc(Oc2ccc(S(=O)(=O)C(C)C)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136639 562738955 /nfs/dbraw/zinc/73/89/55/562738955.db2.gz JUBMAIYYXCHCGB-UMSFTDKQSA-N 1 0 703.812 6.389 1 0 KKAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140764 562739610 /nfs/dbraw/zinc/73/96/10/562739610.db2.gz UCYGHYPNSKWROU-MUUNZHRXSA-N 1 0 661.030 5.414 1 0 KKAFRO Clc1cc2nc([C@@H]3CCCN3c3cc(N4CC[NH+](Cc5ccccc5)CC4)ncn3)[nH]c2cc1Cl ZINC000082154540 562740339 /nfs/dbraw/zinc/74/03/39/562740339.db2.gz RSWAXFJUHZPQHD-QHCPKHFHSA-N 1 0 508.457 5.323 1 0 KKAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082154347 562740343 /nfs/dbraw/zinc/74/03/43/562740343.db2.gz VBORSLMYETXNTJ-GDLZYMKVSA-N 1 0 675.057 5.456 1 0 KKAFRO CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000082154920 562740421 /nfs/dbraw/zinc/74/04/21/562740421.db2.gz UQHUKJZLCWQNFZ-GOSISDBHSA-N 1 0 538.743 6.973 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157522 562740952 /nfs/dbraw/zinc/74/09/52/562740952.db2.gz UUJNEICCDMYHRP-FHPVIJFVSA-N 1 0 705.889 5.419 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(F)cc4F)c4ccccc4c3=O)CC2)c1 ZINC000082158352 562741082 /nfs/dbraw/zinc/74/10/82/562741082.db2.gz KJAXXBXHUGSEDK-UHFFFAOYSA-N 1 0 516.592 5.570 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165061 562741322 /nfs/dbraw/zinc/74/13/22/562741322.db2.gz YPTCVVCGFGDLDX-FJQKOURKSA-N 1 0 709.852 5.249 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165082 562741325 /nfs/dbraw/zinc/74/13/25/562741325.db2.gz QXSAFGQAHODVKD-VBTAUBHQSA-N 1 0 726.307 5.764 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084512944 562743256 /nfs/dbraw/zinc/74/32/56/562743256.db2.gz QTGSINBFNYAXSI-HYRLGQOJSA-N 1 0 546.731 5.637 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)ccc2o1 ZINC000084587128 562743495 /nfs/dbraw/zinc/74/34/95/562743495.db2.gz DULLYLROEIJODI-UHFFFAOYSA-N 1 0 576.137 7.542 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1cc(O)c2c(O)cc(=O)cc-2o1 ZINC000084587878 562743541 /nfs/dbraw/zinc/74/35/41/562743541.db2.gz FUYCPEKODNDZTA-UHFFFAOYSA-N 1 0 592.136 7.247 1 0 KKAFRO CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595490 562743641 /nfs/dbraw/zinc/74/36/41/562743641.db2.gz JQPRDWQRAAFLTI-AUFCLJJTSA-N 1 0 616.866 7.325 1 0 KKAFRO C[C@@H]1CC[C@]2(C(=O)NCCNC(=O)C[NH3+])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000084602117 562743977 /nfs/dbraw/zinc/74/39/77/562743977.db2.gz KWLIXPDANJYNOY-QXQWIYNLSA-N 1 0 555.848 5.196 1 0 KKAFRO CC(C)[C@H](C(=O)N1CCC([NH2+]C(C)(C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602861 562744093 /nfs/dbraw/zinc/74/40/93/562744093.db2.gz QBRFXGBZRKRRSD-WJOKGBTCSA-N 1 0 568.718 5.414 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084605417 562744328 /nfs/dbraw/zinc/74/43/28/562744328.db2.gz FPWSVHYYCFRKSO-NSHDSACASA-N 1 0 539.341 6.174 1 0 KKAFRO COc1ccc(C(=O)N(CC[C@H]2CCC[N@@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000084616113 562744572 /nfs/dbraw/zinc/74/45/72/562744572.db2.gz OEXJNJYSGHNLML-FUAYJARZSA-N 1 0 508.556 5.892 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(O)c2c(O)cc(=O)cc-2o1 ZINC000084617326 562744844 /nfs/dbraw/zinc/74/48/44/562744844.db2.gz VXCQEWKLZIACMS-UHFFFAOYSA-N 1 0 557.691 6.594 1 0 KKAFRO O=C(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084619219 562745240 /nfs/dbraw/zinc/74/52/40/562745240.db2.gz BDISLKREUIUNSD-NDEPHWFRSA-N 1 0 641.665 6.987 1 0 KKAFRO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000084632229 562745453 /nfs/dbraw/zinc/74/54/53/562745453.db2.gz OYAJBCNCCCHJQB-PTTLIBFYSA-N 1 0 618.838 6.816 1 0 KKAFRO COC(=O)[C@H](CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632228 562745462 /nfs/dbraw/zinc/74/54/62/562745462.db2.gz QLDJHSRGZNOSDW-PNWZFYCNSA-N 1 0 568.705 5.683 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)o3)cc2C(F)(F)F)CC1 ZINC000084652993 562746720 /nfs/dbraw/zinc/74/67/20/562746720.db2.gz RQCBKBNLPAIXDM-UHFFFAOYSA-N 1 0 580.611 5.580 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccncc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653258 562746800 /nfs/dbraw/zinc/74/68/00/562746800.db2.gz CEDKXHIJEAOTCW-CYFIQEHSSA-N 1 0 673.793 5.456 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000084654054 562747166 /nfs/dbraw/zinc/74/71/66/562747166.db2.gz AIYPEEWHMFSHOC-UHFFFAOYSA-N 1 0 682.785 7.176 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670039 562748167 /nfs/dbraw/zinc/74/81/67/562748167.db2.gz KNVRDGWTVXRYGM-FZDZPQDGSA-N 1 0 664.809 9.899 1 0 KKAFRO CC(C)(C)c1cc(CN2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671290 562748486 /nfs/dbraw/zinc/74/84/86/562748486.db2.gz SZDPJIDXSCBQEQ-MHZLTWQESA-N 1 0 590.843 9.069 1 0 KKAFRO O[C@](Cn1cncn1)(C[N@H+](CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000084706902 562750029 /nfs/dbraw/zinc/75/00/29/562750029.db2.gz DYDKUOPDSUSUNV-MHZLTWQESA-N 1 0 575.429 5.317 1 0 KKAFRO O[C@](Cn1cncn1)(C[N@H+](CCCOc1ccc(Br)cc1)Cc1ccccc1)c1ccc(F)cc1F ZINC000084706913 562750052 /nfs/dbraw/zinc/75/00/52/562750052.db2.gz YVAARLQPHDLJTB-MHZLTWQESA-N 1 0 557.439 5.178 1 0 KKAFRO Cc1nc([C@H](C)N(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084712446 562750783 /nfs/dbraw/zinc/75/07/83/562750783.db2.gz GLKLNERYMVOUTP-XDCSYDRFSA-N 1 0 613.872 8.657 1 0 KKAFRO C[NH+]1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)CC1 ZINC000084714716 562750977 /nfs/dbraw/zinc/75/09/77/562750977.db2.gz JECVRFZSSMBKTJ-VEILYXNESA-N 1 0 586.618 6.274 1 0 KKAFRO Fc1cc(F)cc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000084723441 562751037 /nfs/dbraw/zinc/75/10/37/562751037.db2.gz IOEWHUVVOHHRDF-NDEPHWFRSA-N 1 0 520.967 6.185 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724585 562751179 /nfs/dbraw/zinc/75/11/79/562751179.db2.gz WNGXMRNNQVTALF-IPKHWOJUSA-N 1 0 599.134 8.246 1 0 KKAFRO CCCCCC[C@@H](C[NH+]1CCC(COc2ccc(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084758501 562752638 /nfs/dbraw/zinc/75/26/38/562752638.db2.gz LFVAHWUKKYEQFF-DEOSSOPVSA-N 1 0 535.512 6.750 1 0 KKAFRO COc1c(C(C)C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC[C@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000084758458 562752651 /nfs/dbraw/zinc/75/26/51/562752651.db2.gz NOAVFVRVYCXART-AKGWNBJDSA-N 1 0 589.865 7.206 1 0 KKAFRO COc1cc(CNC[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758695 562752737 /nfs/dbraw/zinc/75/27/37/562752737.db2.gz YHGLBPUDIFJMHI-XMMPIXPASA-N 1 0 552.706 6.795 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCc3ccccc3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000084923890 562753125 /nfs/dbraw/zinc/75/31/25/562753125.db2.gz ICKSMOFDKBVDMB-JJZPZGAKSA-N 1 0 552.715 5.947 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCC1)CC2 ZINC000088260771 562753483 /nfs/dbraw/zinc/75/34/83/562753483.db2.gz WHKGTFDFEPPMCM-JYFHCDHNSA-N 1 0 523.526 5.048 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCC1)CC2 ZINC000088260769 562753492 /nfs/dbraw/zinc/75/34/92/562753492.db2.gz WHKGTFDFEPPMCM-OZXSUGGESA-N 1 0 523.526 5.048 1 0 KKAFRO CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH2+]C(C)C)CC2 ZINC000088261103 562753523 /nfs/dbraw/zinc/75/35/23/562753523.db2.gz SKFAEKQGAGCXQZ-JYFHCDHNSA-N 1 0 511.559 5.895 1 0 KKAFRO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538474 562754824 /nfs/dbraw/zinc/75/48/24/562754824.db2.gz PUUSAKGGLAKPAJ-HXBCBVSGSA-N 1 0 824.832 6.921 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 ZINC000095539556 562755122 /nfs/dbraw/zinc/75/51/22/562755122.db2.gz XLHSSBIQAHXJLK-ZTYROUASSA-N 1 0 760.858 5.575 1 0 KKAFRO O=C(COCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540030 562755472 /nfs/dbraw/zinc/75/54/72/562755472.db2.gz ISKBUGHVJHBDHX-LHEWISCISA-N 1 0 808.820 7.733 1 0 KKAFRO O=C(C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000095540246 562755621 /nfs/dbraw/zinc/75/56/21/562755621.db2.gz JVSWIAFZENEMCT-HSRKOBERSA-N 1 0 771.881 6.291 1 0 KKAFRO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000095540340 562755661 /nfs/dbraw/zinc/75/56/61/562755661.db2.gz RGIPYCSQKBJEOA-YAYDYDRESA-N 1 0 604.811 6.426 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@@]21C ZINC000095541781 562756362 /nfs/dbraw/zinc/75/63/62/562756362.db2.gz TYUMKMZEHWSBIR-NVCJNQEXSA-N 1 0 769.804 6.481 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CCNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000095544726 562757851 /nfs/dbraw/zinc/75/78/51/562757851.db2.gz VETZEDDIBGTLQT-WDYNHAJCSA-N 1 0 741.078 7.908 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545710 562758194 /nfs/dbraw/zinc/75/81/94/562758194.db2.gz VBMKWPABKWXAOB-VQJSHJPSSA-N 1 0 756.731 7.581 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCCNS(C)(=O)=O)c1 ZINC000095548084 562759108 /nfs/dbraw/zinc/75/91/08/562759108.db2.gz TYDNACGHSINKSF-GPOMZPHUSA-N 1 0 776.824 6.541 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548860 562759563 /nfs/dbraw/zinc/75/95/63/562759563.db2.gz NEUMPLGRWKXMEG-LVGXKXMISA-N 1 0 754.847 5.600 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548863 562759572 /nfs/dbraw/zinc/75/95/72/562759572.db2.gz NEUMPLGRWKXMEG-VZZVPZGQSA-N 1 0 754.847 5.600 1 0 KKAFRO CCCCCC[P@](=O)(COc1ccc(CC[NH+](C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548888 562759596 /nfs/dbraw/zinc/75/95/96/562759596.db2.gz HGLRSGVEGXDYFV-DPAPVZDCSA-N 1 0 819.937 6.583 1 0 KKAFRO CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1)c1ccccc1 ZINC000095550335 562760109 /nfs/dbraw/zinc/76/01/09/562760109.db2.gz KHBCDHGLAQMFCM-ZVQLOQTQSA-N 1 0 762.992 6.347 1 0 KKAFRO CC[N@@H+]1CCC[C@@H](CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095552802 562760754 /nfs/dbraw/zinc/76/07/54/562760754.db2.gz JAYGZFPMNNIDPY-ZAMGYDSWSA-N 1 0 515.268 5.734 1 0 KKAFRO Cc1ccc(COc2cc(OCc3ccc(C)cc3)cc(-c3cc(=O)c4ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc4o3)c2)cc1 ZINC000095553057 562760887 /nfs/dbraw/zinc/76/08/87/562760887.db2.gz UNYBXMNZUVDUIS-PMERELPUSA-N 1 0 607.747 7.363 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H]([NH3+])CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553367 562760899 /nfs/dbraw/zinc/76/08/99/562760899.db2.gz ATLHHAOOYRUXSA-SFCUPQSHSA-N 1 0 801.053 6.126 1 0 KKAFRO Cc1ccccc1COc1cc(OCc2ccccc2C)cc(-c2cc(=O)c3ccc(OC[C@@H](O)C[NH2+]C(C)C)cc3o2)c1 ZINC000095553325 562760910 /nfs/dbraw/zinc/76/09/10/562760910.db2.gz YLKLDHLDNREFBY-PMERELPUSA-N 1 0 593.720 6.973 1 0 KKAFRO Cc1ccccc1COc1cc(OCc2ccccc2C)cc(-c2cc(=O)c3ccc(OC[C@H](O)C[NH2+]C(C)C)cc3o2)c1 ZINC000095553324 562760911 /nfs/dbraw/zinc/76/09/11/562760911.db2.gz YLKLDHLDNREFBY-SSEXGKCCSA-N 1 0 593.720 6.973 1 0 KKAFRO Cc1ccc(COc2cc(OCc3ccc(C)cc3)cc(-c3cc(=O)c4ccc(OC[C@H](O)C[NH2+]C(C)C)cc4o3)c2)cc1 ZINC000095555643 562761614 /nfs/dbraw/zinc/76/16/14/562761614.db2.gz AXSXJBXGMAUCSL-SSEXGKCCSA-N 1 0 593.720 6.973 1 0 KKAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cncc(F)c1)CC1(CCC1)O2 ZINC000095555834 562761653 /nfs/dbraw/zinc/76/16/53/562761653.db2.gz HMMNJCGMHFFTDC-HZFUHODCSA-N 1 0 564.677 5.082 1 0 KKAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4Cl)cc(OCc4ccccc4Cl)c3)oc2c1 ZINC000095556556 562761809 /nfs/dbraw/zinc/76/18/09/562761809.db2.gz CQUHMJWXIKUART-AREMUKBSSA-N 1 0 648.583 8.053 1 0 KKAFRO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c(C)c1 ZINC000095560377 562763018 /nfs/dbraw/zinc/76/30/18/562763018.db2.gz DQBZWFHJDGWRNU-NJDYKEBGSA-N 1 0 522.733 6.577 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N4CC[C@@]5(CC[NH2+]C5)C4)[nH]c32)cc1 ZINC000095561422 562763389 /nfs/dbraw/zinc/76/33/89/562763389.db2.gz JNKHVJBHDOHETG-WJOKGBTCSA-N 1 0 539.684 5.429 1 0 KKAFRO 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 ZINC000095564830 562764464 /nfs/dbraw/zinc/76/44/64/562764464.db2.gz GFVNWDBMZVYSCS-PDOBOUQHSA-N 1 0 694.833 5.455 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095565750 562764661 /nfs/dbraw/zinc/76/46/61/562764661.db2.gz KPNIWBUOMWGGPJ-MKVNITDJSA-N 1 0 698.692 6.455 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566440 562765033 /nfs/dbraw/zinc/76/50/33/562765033.db2.gz ILRCCMQCDZZMAZ-ZLEIESQFSA-N 1 0 706.265 5.327 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095566618 562765168 /nfs/dbraw/zinc/76/51/68/562765168.db2.gz MHRHAZBEGDUPII-KXLVQTRWSA-N 1 0 621.778 5.941 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566734 562765201 /nfs/dbraw/zinc/76/52/01/562765201.db2.gz KARWDBSITYBCDY-LRZFZUCMSA-N 1 0 605.607 5.729 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566808 562765329 /nfs/dbraw/zinc/76/53/29/562765329.db2.gz ACSVFUACEODJDN-NCLPYWGKSA-N 1 0 594.712 5.478 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567194 562765583 /nfs/dbraw/zinc/76/55/83/562765583.db2.gz AGQRDMGTSVKJPI-UMQWNRPGSA-N 1 0 599.654 5.025 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567205 562765593 /nfs/dbraw/zinc/76/55/93/562765593.db2.gz SFPDDQJJHIODOQ-JJWUTGECSA-N 1 0 649.619 7.072 1 0 KKAFRO 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 ZINC000095567326 562765657 /nfs/dbraw/zinc/76/56/57/562765657.db2.gz CGLNLVFPHXEQAP-DRGJWEBESA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567452 562765777 /nfs/dbraw/zinc/76/57/77/562765777.db2.gz FZTSQENAZFZQAT-KECSPFHLSA-N 1 0 718.777 6.536 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095567434 562765808 /nfs/dbraw/zinc/76/58/08/562765808.db2.gz LHPQGQHPHMSMSB-DOKVQHETSA-N 1 0 640.841 6.777 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567412 562765811 /nfs/dbraw/zinc/76/58/11/562765811.db2.gz DWBBIMOOPOSMMP-NIAOJTHTSA-N 1 0 617.549 6.058 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567640 562765984 /nfs/dbraw/zinc/76/59/84/562765984.db2.gz ACSVFUACEODJDN-VJQVOXFUSA-N 1 0 594.712 5.478 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567829 562766149 /nfs/dbraw/zinc/76/61/49/562766149.db2.gz YDQHBDWJWTWAAY-PHKGMDLESA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568123 562766322 /nfs/dbraw/zinc/76/63/22/562766322.db2.gz RAWKXIVYXKZPFJ-LRZFZUCMSA-N 1 0 616.656 5.770 1 0 KKAFRO COc1cc(OC)nc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)n1 ZINC000095568158 562766374 /nfs/dbraw/zinc/76/63/74/562766374.db2.gz SRILUZWRNIXOEA-HKBQPEDESA-N 1 0 552.675 5.712 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568245 562766471 /nfs/dbraw/zinc/76/64/71/562766471.db2.gz USVAWBHVHLMWLD-XZTSFBBGSA-N 1 0 658.799 7.628 1 0 KKAFRO 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 ZINC000095568654 562766771 /nfs/dbraw/zinc/76/67/71/562766771.db2.gz FUZWWGXSJONWBM-OSOCVKALSA-N 1 0 652.636 6.720 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095568667 562766783 /nfs/dbraw/zinc/76/67/83/562766783.db2.gz KVYNYDNSHYPGTF-ZIZQKJAQSA-N 1 0 669.785 6.885 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568943 562767026 /nfs/dbraw/zinc/76/70/26/562767026.db2.gz ISYWMCSQLOVTPH-TVMHKENRSA-N 1 0 643.829 5.078 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569005 562767067 /nfs/dbraw/zinc/76/70/67/562767067.db2.gz UMHMSOGVZPYYOP-CAMFVRPXSA-N 1 0 716.883 5.475 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569207 562767313 /nfs/dbraw/zinc/76/73/13/562767313.db2.gz QQBXNGROOKAAKB-IKBQMQIHSA-N 1 0 669.745 5.083 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095569396 562767388 /nfs/dbraw/zinc/76/73/88/562767388.db2.gz KPWIEHUIZOJQLP-ACHOWJBZSA-N 1 0 680.806 5.526 1 0 KKAFRO 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)C3CCCCC3)cc2C1=O ZINC000095569675 562767581 /nfs/dbraw/zinc/76/75/81/562767581.db2.gz GIJXROWDOWXZEB-VBEKBXFHSA-N 1 0 676.726 7.440 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569742 562767633 /nfs/dbraw/zinc/76/76/33/562767633.db2.gz NKYSZIASVRRVQA-ACIJXJFPSA-N 1 0 705.900 6.816 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569822 562767738 /nfs/dbraw/zinc/76/77/38/562767738.db2.gz GFBGNCUTLBGSKQ-AZAGJHQNSA-N 1 0 690.763 7.423 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569919 562767764 /nfs/dbraw/zinc/76/77/64/562767764.db2.gz NAHHEMFFHMWNRU-GTNJKRJXSA-N 1 0 584.639 5.702 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569923 562767829 /nfs/dbraw/zinc/76/78/29/562767829.db2.gz FORWBLLIOZUMCF-FONBTEPMSA-N 1 0 653.632 6.721 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570028 562767881 /nfs/dbraw/zinc/76/78/81/562767881.db2.gz HEPUKTRJNLXBPT-XUJRGEPCSA-N 1 0 673.832 5.569 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570171 562767980 /nfs/dbraw/zinc/76/79/80/562767980.db2.gz DTGXRBNGNVLSQA-AWVJATPHSA-N 1 0 672.911 7.791 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095570123 562767985 /nfs/dbraw/zinc/76/79/85/562767985.db2.gz GQPLODGYDYCVNT-KSWJDTNCSA-N 1 0 650.625 5.084 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570315 562768142 /nfs/dbraw/zinc/76/81/42/562768142.db2.gz GQWDZONLPIYMSR-RCFCZGBRSA-N 1 0 672.826 7.557 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570507 562768282 /nfs/dbraw/zinc/76/82/82/562768282.db2.gz SFPDDQJJHIODOQ-SOTYFPCESA-N 1 0 649.619 7.072 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570767 562768503 /nfs/dbraw/zinc/76/85/03/562768503.db2.gz KHFPDWFEACXBKS-SFXKCFQESA-N 1 0 678.251 6.214 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570914 562768619 /nfs/dbraw/zinc/76/86/19/562768619.db2.gz WVAVZXUUZRXWFN-XIWHWFKQSA-N 1 0 613.780 5.507 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095571265 562768932 /nfs/dbraw/zinc/76/89/32/562768932.db2.gz YEMFTFQZFYNTOU-CEFNRUSXSA-N 1 0 634.699 6.855 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)[N@H+](CCc2ccccc2)C[C@H]1C ZINC000095571566 562769098 /nfs/dbraw/zinc/76/90/98/562769098.db2.gz ONZMGLOOFFOJCP-BOYVUMAVSA-N 1 0 550.744 5.190 3 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(OCCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000095571773 562769190 /nfs/dbraw/zinc/76/91/90/562769190.db2.gz LHXPAZGYSWORAP-UHFFFAOYSA-N 1 0 531.100 7.191 1 0 KKAFRO Cc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000095573222 562769639 /nfs/dbraw/zinc/76/96/39/562769639.db2.gz SZKDUJMZXBJYTO-UHFFFAOYSA-N 1 0 545.723 9.101 1 0 KKAFRO O=C(CCCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095573705 562769746 /nfs/dbraw/zinc/76/97/46/562769746.db2.gz VOZCWPZLVZULPC-UHFFFAOYSA-N 1 0 541.721 6.354 1 0 KKAFRO Cc1cccc(C[C@@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 ZINC000095574387 562769949 /nfs/dbraw/zinc/76/99/49/562769949.db2.gz CGPUMTTUBWGRHT-SANMLTNESA-N 1 0 505.486 5.553 1 0 KKAFRO O=C(Cc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000095575246 562770232 /nfs/dbraw/zinc/77/02/32/562770232.db2.gz RDEXMUKWTMRQJX-WGKBJPKESA-N 1 0 605.134 6.600 1 0 KKAFRO COc1ccccc1C(=O)c1c2ccccc2oc1-c1cccc(OCCCCCCC[N@H+](C)Cc2ccccc2)c1 ZINC000095577857 562771107 /nfs/dbraw/zinc/77/11/07/562771107.db2.gz JLERCSLLIVKOQE-UHFFFAOYSA-N 1 0 561.722 8.801 1 0 KKAFRO CNC(=O)Oc1cccc(C[N@H+](C)CCCCCCCOc2ccc(-c3oc4ccccc4c3C(=O)c3ccc(C)cc3)cc2)c1 ZINC000095577855 562771109 /nfs/dbraw/zinc/77/11/09/562771109.db2.gz AQUBWCPEKBRMKW-UHFFFAOYSA-N 1 0 618.774 8.819 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1ccc(Br)cc1)CC2 ZINC000095578715 562771335 /nfs/dbraw/zinc/77/13/35/562771335.db2.gz NFZDBRNAGBYMML-NRFANRHFSA-N 1 0 526.427 5.288 1 0 KKAFRO COC(=O)[C@H](C[NH+](C)C)N(C)C(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095578661 562771365 /nfs/dbraw/zinc/77/13/65/562771365.db2.gz MGAPNBLQWMRDMU-SANMLTNESA-N 1 0 586.154 5.217 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(Oc4ccc5ccccc5c4)cc3)n2)cc1 ZINC000095579212 562771466 /nfs/dbraw/zinc/77/14/66/562771466.db2.gz VQPVVEUTLLIEEL-UHFFFAOYSA-N 1 0 518.661 7.862 1 0 KKAFRO CC(C)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccccc1F ZINC000095580776 562771933 /nfs/dbraw/zinc/77/19/33/562771933.db2.gz XGDDPVUCHSMVBM-SANMLTNESA-N 1 0 521.036 5.426 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(Cc4ccccc4)c(N)[nH+]3)nn2)cc1 ZINC000095586385 562773931 /nfs/dbraw/zinc/77/39/31/562773931.db2.gz WESPTUHYAIAVBG-UHFFFAOYSA-N 1 0 527.717 5.223 1 0 KKAFRO Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000095586967 562774185 /nfs/dbraw/zinc/77/41/85/562774185.db2.gz MNIHMUUNRSJJQO-UHFFFAOYSA-N 1 0 625.260 11.027 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@H](O)C(F)(F)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588325 562774587 /nfs/dbraw/zinc/77/45/87/562774587.db2.gz MRRAFIQTUKCGLD-SANMLTNESA-N 1 0 588.602 7.192 1 0 KKAFRO COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095588682 562774704 /nfs/dbraw/zinc/77/47/04/562774704.db2.gz XVBZGONEGCEXLO-YYXXCONNSA-N 1 0 581.669 5.101 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(F)c2)c1 ZINC000095589553 562774976 /nfs/dbraw/zinc/77/49/76/562774976.db2.gz ZUJYDDRAOZRSSH-XZWHSSHBSA-N 1 0 547.715 5.315 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(-c4ccccc4)c(N)[nH+]3)nn2)cc1 ZINC000095590645 562775315 /nfs/dbraw/zinc/77/53/15/562775315.db2.gz NPRNBLCEDUGJIE-UHFFFAOYSA-N 1 0 513.690 5.164 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4sc([C@H](O)C(F)(F)F)cc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095591562 562775667 /nfs/dbraw/zinc/77/56/67/562775667.db2.gz RAAVZRCTBRDFFN-SANMLTNESA-N 1 0 538.595 6.557 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095592770 562776014 /nfs/dbraw/zinc/77/60/14/562776014.db2.gz NJGRAUIMWPFJGV-HFNBOTBWSA-N 1 0 507.715 5.338 1 0 KKAFRO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cccc(CN2CCc3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3C2)c1 ZINC000095596807 562777067 /nfs/dbraw/zinc/77/70/67/562777067.db2.gz ICFMEAPVRDQOKG-UWXQCODUSA-N 1 0 683.853 5.589 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095598773 562777529 /nfs/dbraw/zinc/77/75/29/562777529.db2.gz ORTMWWQHMCADOR-YDLQOJJBSA-N 1 0 741.178 7.375 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095599082 562777758 /nfs/dbraw/zinc/77/77/58/562777758.db2.gz KVYNYDNSHYPGTF-NSWWAWACSA-N 1 0 669.785 6.885 1 0 KKAFRO 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 ZINC000095599196 562777821 /nfs/dbraw/zinc/77/78/21/562777821.db2.gz UIKXZKCHSBRXDR-WYOWBBOASA-N 1 0 705.840 6.434 1 0 KKAFRO 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 ZINC000095599418 562778070 /nfs/dbraw/zinc/77/80/70/562778070.db2.gz ZBBNPLMVFVREHD-WMVXZGOPSA-N 1 0 719.867 6.742 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095599522 562778132 /nfs/dbraw/zinc/77/81/32/562778132.db2.gz UQRVVYXDOOLUAO-FXKJGQKXSA-N 1 0 723.830 6.573 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095599568 562778187 /nfs/dbraw/zinc/77/81/87/562778187.db2.gz KVYNYDNSHYPGTF-CBUCOWSNSA-N 1 0 669.785 6.885 1 0 KKAFRO COc1ccc(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 ZINC000095599630 562778231 /nfs/dbraw/zinc/77/82/31/562778231.db2.gz LFZLAWVTNRSJHJ-PUNARZIMSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095599914 562778424 /nfs/dbraw/zinc/77/84/24/562778424.db2.gz JUFFYBBKNFKMBH-OXYPMYLPSA-N 1 0 627.704 6.041 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600017 562778573 /nfs/dbraw/zinc/77/85/73/562778573.db2.gz YDQHBDWJWTWAAY-QPPRZBLKSA-N 1 0 642.675 5.359 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000095600256 562778744 /nfs/dbraw/zinc/77/87/44/562778744.db2.gz WJVHBYPUYBRWRJ-RUZDIDTESA-N 1 0 511.519 5.994 3 0 KKAFRO 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 ZINC000095600275 562778760 /nfs/dbraw/zinc/77/87/60/562778760.db2.gz ZBBNPLMVFVREHD-BGNUVLEZSA-N 1 0 719.867 6.742 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600653 562779098 /nfs/dbraw/zinc/77/90/98/562779098.db2.gz RBOAJFBNHJWMOW-VUYBWUDLSA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600949 562779382 /nfs/dbraw/zinc/77/93/82/562779382.db2.gz KHFPDWFEACXBKS-XLCATFGMSA-N 1 0 678.251 6.214 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095601673 562779732 /nfs/dbraw/zinc/77/97/32/562779732.db2.gz KVYNYDNSHYPGTF-BWLKTWDLSA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095603125 562780401 /nfs/dbraw/zinc/78/04/01/562780401.db2.gz CMLTYIJXOZVOLL-PDTNBVABSA-N 1 0 612.815 6.089 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095605105 562781382 /nfs/dbraw/zinc/78/13/82/562781382.db2.gz ORTMWWQHMCADOR-ZHBPACGQSA-N 1 0 741.178 7.375 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605376 562781489 /nfs/dbraw/zinc/78/14/89/562781489.db2.gz PIPSXTOHKBCCEO-NAJARDBOSA-N 1 0 702.790 7.416 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095605381 562781548 /nfs/dbraw/zinc/78/15/48/562781548.db2.gz QMCFBRPLMVFDBX-IUVSGJEMSA-N 1 0 740.285 7.087 1 0 KKAFRO 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 ZINC000095605476 562781574 /nfs/dbraw/zinc/78/15/74/562781574.db2.gz ZBBNPLMVFVREHD-UGDHZGHBSA-N 1 0 719.867 6.742 1 0 KKAFRO 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)NC3CCCCC3)cc2C1=O ZINC000095605488 562781583 /nfs/dbraw/zinc/78/15/83/562781583.db2.gz DRQNCGZLFKRWDU-OJQFFXEZSA-N 1 0 691.741 7.375 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095605458 562781587 /nfs/dbraw/zinc/78/15/87/562781587.db2.gz KTOLAWMRFLMANX-IQRSPBMWSA-N 1 0 683.812 6.814 1 0 KKAFRO C[C@H](C(=O)Nc1nc([C@H](CC[N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000095607337 562782766 /nfs/dbraw/zinc/78/27/66/562782766.db2.gz JWKLHPJIQARGDH-MQQGNGCHSA-N 1 0 740.814 9.020 1 0 KKAFRO CCn1nc(Cc2cccnc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000095607601 562782915 /nfs/dbraw/zinc/78/29/15/562782915.db2.gz JGAITRDERWCFBO-ABAVYFCKSA-N 1 0 587.784 5.956 1 0 KKAFRO CC[NH+](CC)CCN(C)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000095608105 562783371 /nfs/dbraw/zinc/78/33/71/562783371.db2.gz JIKNMSSWPPOSOQ-MGBGTMOVSA-N 1 0 743.323 6.283 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095608936 562783809 /nfs/dbraw/zinc/78/38/09/562783809.db2.gz UZFBINGRHVFVJI-WBCKFURZSA-N 1 0 787.962 6.268 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000095610615 562784532 /nfs/dbraw/zinc/78/45/32/562784532.db2.gz USQNYIPSWUNBEC-VZUYHUTRSA-N 1 0 748.852 6.747 1 0 KKAFRO C[N@@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)C1 ZINC000095610674 562784546 /nfs/dbraw/zinc/78/45/46/562784546.db2.gz AAOCWUJDPXXWHS-NDEPHWFRSA-N 1 0 736.644 7.563 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cc(F)cc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095613173 562786115 /nfs/dbraw/zinc/78/61/15/562786115.db2.gz RSUCFJLTDREZLP-ZOVYIVPUSA-N 1 0 789.871 6.573 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)NCCN4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095614773 562786863 /nfs/dbraw/zinc/78/68/63/562786863.db2.gz VDMSRLSDKANFQZ-KDXMTYKHSA-N 1 0 753.768 5.675 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)NCCN4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095614772 562786869 /nfs/dbraw/zinc/78/68/69/562786869.db2.gz VDMSRLSDKANFQZ-LDLOPFEMSA-N 1 0 753.768 5.675 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095615720 562787447 /nfs/dbraw/zinc/78/74/47/562787447.db2.gz PZDHHODHDFQQQA-WMJIDNGHSA-N 1 0 751.966 5.025 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670060 562788251 /nfs/dbraw/zinc/78/82/51/562788251.db2.gz YWKQKXOEKQEVAI-DHLKQENFSA-N 1 0 527.505 6.606 1 0 KKAFRO CCNc1ccc(OC[C@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670078 562788256 /nfs/dbraw/zinc/78/82/56/562788256.db2.gz IWYTUWMBDRWLJL-SQHAQQRYSA-N 1 0 502.577 6.019 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000095690846 562788428 /nfs/dbraw/zinc/78/84/28/562788428.db2.gz UWZVFFPZKKJULR-QZTZHPFYSA-N 1 0 554.585 5.228 1 0 KKAFRO Cc1noc(C)c1NC(=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 ZINC000095751136 562788827 /nfs/dbraw/zinc/78/88/27/562788827.db2.gz DJCIIHJEQUSOOT-JNOFGXDLSA-N 1 0 703.803 6.882 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095753587 562788860 /nfs/dbraw/zinc/78/88/60/562788860.db2.gz HYEFXMLKRFQNEN-DWLUSBQNSA-N 1 0 624.779 5.197 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095754177 562788883 /nfs/dbraw/zinc/78/88/83/562788883.db2.gz RRTLYMIVDSYVQP-KTYLLXISSA-N 1 0 592.740 6.350 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095782424 562789055 /nfs/dbraw/zinc/78/90/55/562789055.db2.gz ZBSMIXMEGWTGMY-NWDSAUNBSA-N 1 0 583.773 6.225 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797912 562789184 /nfs/dbraw/zinc/78/91/84/562789184.db2.gz HQAZDFNOZXZGFG-SYZUXVNWSA-N 1 0 540.626 5.862 1 0 KKAFRO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1 ZINC000095833065 562789292 /nfs/dbraw/zinc/78/92/92/562789292.db2.gz UFJFLQUSVAOZJI-UCRLTYHRSA-N 1 0 611.743 5.125 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095834834 562789374 /nfs/dbraw/zinc/78/93/74/562789374.db2.gz NHGHJDDGJPIKGB-IZVMNLJQSA-N 1 0 590.687 5.512 1 0 KKAFRO CC(C)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc(Oc3ccccc3)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873108 562790133 /nfs/dbraw/zinc/79/01/33/562790133.db2.gz PMTGVSOLRQSCER-GOXGLGGOSA-N 1 0 578.713 6.506 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cccc(OCCC[NH+]4CCN(C)CC4)c3)nc12 ZINC000096167721 562790533 /nfs/dbraw/zinc/79/05/33/562790533.db2.gz HVTIZQHNYBUTRY-UHFFFAOYSA-N 1 0 537.495 6.067 1 0 KKAFRO CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@H]3CC[NH2+]C3)cc2n1Cc1ccccc1 ZINC000096172244 562791317 /nfs/dbraw/zinc/79/13/17/562791317.db2.gz CGDOSNPQJHUARH-QHCPKHFHSA-N 1 0 503.593 5.762 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN(C)CC[NH+](C)C)cn3)c3ncccc23)c1Cl ZINC000096173430 562791403 /nfs/dbraw/zinc/79/14/03/562791403.db2.gz IMCZGDACQFKCPD-UHFFFAOYSA-N 1 0 568.505 5.867 1 0 KKAFRO c1ccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1 ZINC000096173993 562791564 /nfs/dbraw/zinc/79/15/64/562791564.db2.gz QOTJVGWZDAHQNJ-UHFFFAOYSA-N 1 0 552.646 5.613 1 0 KKAFRO Cc1ccc(CN2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174024 562791591 /nfs/dbraw/zinc/79/15/91/562791591.db2.gz HLSUDLCHXYLGFX-UHFFFAOYSA-N 1 0 513.649 5.680 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nnc4n3-c3ccccc3Nc3ccccc3-4)cc2)CC1 ZINC000096174061 562791606 /nfs/dbraw/zinc/79/16/06/562791606.db2.gz HCIOGOLEBGXDRR-UHFFFAOYSA-N 1 0 539.643 6.138 1 0 KKAFRO O=c1[nH]c(-c2ccccc2)cn1C1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174125 562791720 /nfs/dbraw/zinc/79/17/20/562791720.db2.gz NZFMRJDCQKXRIG-UHFFFAOYSA-N 1 0 566.669 6.047 1 0 KKAFRO Fc1ccc2c(CC[NH2+]Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)c[nH]c2c1 ZINC000096174137 562791742 /nfs/dbraw/zinc/79/17/42/562791742.db2.gz ZIUMRABKQLXBDE-UHFFFAOYSA-N 1 0 501.569 6.006 1 0 KKAFRO c1ccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)o2)cc1 ZINC000096174142 562791757 /nfs/dbraw/zinc/79/17/57/562791757.db2.gz AQDALWAVCROEPV-UHFFFAOYSA-N 1 0 552.642 6.483 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CC[NH+](C(C)C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175766 562791986 /nfs/dbraw/zinc/79/19/86/562791986.db2.gz MXYHHRUNCDZTKO-UHFFFAOYSA-N 1 0 673.884 6.670 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@@H]5CC[NH2+]C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175754 562792002 /nfs/dbraw/zinc/79/20/02/562792002.db2.gz PVJJKPKHVQSUDO-HXUWFJFHSA-N 1 0 603.749 5.084 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000096177888 562792422 /nfs/dbraw/zinc/79/24/22/562792422.db2.gz KLVHMGYISDAIRN-NDEPHWFRSA-N 1 0 670.198 6.998 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(F)F)n2)c(OC(C)C)cc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000096177886 562792436 /nfs/dbraw/zinc/79/24/36/562792436.db2.gz PTNYZZHTIARFIT-UHFFFAOYSA-N 1 0 651.180 5.977 1 0 KKAFRO CNC(=O)CC[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177926 562792444 /nfs/dbraw/zinc/79/24/44/562792444.db2.gz RJOCNHGBKJJYDV-UHFFFAOYSA-N 1 0 662.861 5.742 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCC(=O)N(C)C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177925 562792492 /nfs/dbraw/zinc/79/24/92/562792492.db2.gz GHDOXUCSDPMHHG-UHFFFAOYSA-N 1 0 676.888 6.084 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258645 562792932 /nfs/dbraw/zinc/79/29/32/562792932.db2.gz PIUKQSMOYIMGDG-UHFFFAOYSA-N 1 0 524.625 5.408 1 0 KKAFRO C[C@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269480 562792947 /nfs/dbraw/zinc/79/29/47/562792947.db2.gz HVGOKDSSQHDHOP-LJAQVGFWSA-N 1 0 684.853 8.959 1 0 KKAFRO C[C@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269488 562792961 /nfs/dbraw/zinc/79/29/61/562792961.db2.gz LIUKBAIABYHLPL-DEOSSOPVSA-N 1 0 523.696 7.812 1 0 KKAFRO C[C@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270070 562793126 /nfs/dbraw/zinc/79/31/26/562793126.db2.gz IEFWFBOBLBKOIT-QHCPKHFHSA-N 1 0 600.691 6.619 1 0 KKAFRO C[C@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270068 562793139 /nfs/dbraw/zinc/79/31/39/562793139.db2.gz FBWXOUBMHZMKRS-VWLOTQADSA-N 1 0 628.745 7.399 1 0 KKAFRO C[C@@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270057 562793165 /nfs/dbraw/zinc/79/31/65/562793165.db2.gz HGRAQIZTJBXKFK-XMMPIXPASA-N 1 0 614.718 7.009 1 0 KKAFRO C[C@@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270055 562793169 /nfs/dbraw/zinc/79/31/69/562793169.db2.gz IDYOZSGAARAUPI-RUZDIDTESA-N 1 0 628.745 7.399 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCc2cccs2)c2ccccc2)c1Cl ZINC000096271206 562793713 /nfs/dbraw/zinc/79/37/13/562793713.db2.gz RQIDBYJDMXKKMQ-QHCPKHFHSA-N 1 0 512.510 6.981 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCc2ccc3ccccc3n2)c2ccccc2)c1Cl ZINC000096271205 562793720 /nfs/dbraw/zinc/79/37/20/562793720.db2.gz QSHFFYGHXXOIKZ-NDEPHWFRSA-N 1 0 557.529 7.468 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271286 562793776 /nfs/dbraw/zinc/79/37/76/562793776.db2.gz FDKHDUKBGKXSDO-UHFFFAOYSA-N 1 0 583.220 9.310 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(F)cc32)cc1F ZINC000096271508 562793781 /nfs/dbraw/zinc/79/37/81/562793781.db2.gz YSIIKSBQGZWJKP-UHFFFAOYSA-N 1 0 674.748 9.036 1 0 KKAFRO O=C(CN1CC[NH+](CCCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271825 562793861 /nfs/dbraw/zinc/79/38/61/562793861.db2.gz HUQDZMOHVVJHEF-UHFFFAOYSA-N 1 0 644.816 7.083 1 0 KKAFRO COc1cc(=O)oc2cc(OCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271833 562793946 /nfs/dbraw/zinc/79/39/46/562793946.db2.gz IUOBAYQUFIRIFW-UHFFFAOYSA-N 1 0 584.717 5.034 1 0 KKAFRO C[NH+](C)CCCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272619 562794136 /nfs/dbraw/zinc/79/41/36/562794136.db2.gz AWSFTVYABIVKMR-UHFFFAOYSA-N 1 0 550.663 6.519 1 0 KKAFRO CC(C)Oc1cc(C2CC[NH2+]CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096272784 562794284 /nfs/dbraw/zinc/79/42/84/562794284.db2.gz ZEURXJJLFFSRDT-UHFFFAOYSA-N 1 0 544.121 6.054 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000096272788 562794289 /nfs/dbraw/zinc/79/42/89/562794289.db2.gz GHIBWMIFAQHEOV-UHFFFAOYSA-N 1 0 655.309 7.169 1 0 KKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000096273399 562794470 /nfs/dbraw/zinc/79/44/70/562794470.db2.gz PCSFTCUUDKFBPK-UHFFFAOYSA-N 1 0 520.702 8.001 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000096284307 562795068 /nfs/dbraw/zinc/79/50/68/562795068.db2.gz AENKINKFHQNOIC-VTZPFEBOSA-N 1 0 591.434 7.575 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3N)C1 ZINC000096284294 562795087 /nfs/dbraw/zinc/79/50/87/562795087.db2.gz DOASFXOSSRUSLF-NIDLKEISSA-N 1 0 527.553 6.395 1 0 KKAFRO CC[N@@H+]1CCn2c(cnc2[C@@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284737 562795350 /nfs/dbraw/zinc/79/53/50/562795350.db2.gz VEWKJXMBTJTFJT-GDLZYMKVSA-N 1 0 579.705 5.045 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285352 562795499 /nfs/dbraw/zinc/79/54/99/562795499.db2.gz GLZGIZYROAGFSY-OUTSHDOLSA-N 1 0 580.217 6.384 1 0 KKAFRO Cc1cc(F)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285359 562795507 /nfs/dbraw/zinc/79/55/07/562795507.db2.gz RABMHVAUKSATIA-KPURRNSFSA-N 1 0 564.750 5.325 1 0 KKAFRO Cc1cc(F)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285356 562795515 /nfs/dbraw/zinc/79/55/15/562795515.db2.gz RABMHVAUKSATIA-ZTOMLWHTSA-N 1 0 564.750 5.325 1 0 KKAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000096285368 562795569 /nfs/dbraw/zinc/79/55/69/562795569.db2.gz BYSYEMPZKZYBNW-LJAQVGFWSA-N 1 0 558.771 5.364 1 0 KKAFRO Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285377 562795576 /nfs/dbraw/zinc/79/55/76/562795576.db2.gz FRBJEUDAEXXYFS-HLADLETHSA-N 1 0 560.787 5.495 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285389 562795606 /nfs/dbraw/zinc/79/56/06/562795606.db2.gz BUQGFMHFSZHCHF-RLWLMLJZSA-N 1 0 538.136 5.356 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096285461 562795710 /nfs/dbraw/zinc/79/57/10/562795710.db2.gz WFKZOGGTBBNGQC-RBTNQOKQSA-N 1 0 550.723 5.017 1 0 KKAFRO CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@@H]3[C@]1(C)CO ZINC000096902426 562797403 /nfs/dbraw/zinc/79/74/03/562797403.db2.gz UNALXIWYSATRFG-YEYRYHLWSA-N 1 0 590.849 6.100 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907057 562798958 /nfs/dbraw/zinc/79/89/58/562798958.db2.gz UOOUNNOEBGPLSJ-RAMDELSOSA-N 1 0 525.818 6.324 1 0 KKAFRO C[C@H]([NH2+]CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)c1ccccc1 ZINC000096907058 562798998 /nfs/dbraw/zinc/79/89/98/562798998.db2.gz SUCPORHPVROVMZ-GSZPNNGISA-N 1 0 539.845 6.885 1 0 KKAFRO CC[NH+](CC)CCCOc1cc2ncnc(Nc3nc4ccc(C(=O)Nc5c(C)cccc5Cl)cc4s3)c2cc1OC ZINC000096908960 562799472 /nfs/dbraw/zinc/79/94/72/562799472.db2.gz LDODVSHTNPWJGU-UHFFFAOYSA-N 1 0 605.164 7.317 1 0 KKAFRO Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909592 562799626 /nfs/dbraw/zinc/79/96/26/562799626.db2.gz NWFSVUQPLAQTLG-HFZDXXHNSA-N 1 0 538.088 5.817 1 0 KKAFRO COc1ccccc1Oc1ccc(C(=O)N[C@H](C[N@@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1 ZINC000096910134 562799909 /nfs/dbraw/zinc/79/99/09/562799909.db2.gz PXRQBQSSYKYALF-WXVAWEFUSA-N 1 0 503.643 5.158 1 0 KKAFRO COc1ccc(Cc2nc(-c3cc(Br)c(OCCCC[NH+]4CCOCC4)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921942 562801576 /nfs/dbraw/zinc/80/15/76/562801576.db2.gz BFZIYAZYUKUKHG-UHFFFAOYSA-N 1 0 686.239 5.815 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923592 562802113 /nfs/dbraw/zinc/80/21/13/562802113.db2.gz YXMJJRWBZVDXTQ-WJOKGBTCSA-N 1 0 546.781 5.187 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923593 562802119 /nfs/dbraw/zinc/80/21/19/562802119.db2.gz YXMJJRWBZVDXTQ-HKBQPEDESA-N 1 0 546.781 5.187 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1F ZINC000096927177 562802617 /nfs/dbraw/zinc/80/26/17/562802617.db2.gz YVZRDYCKRBWYLQ-UHFFFAOYSA-N 1 0 656.758 8.897 1 0 KKAFRO CCOc1cc(N)c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000096928306 562802819 /nfs/dbraw/zinc/80/28/19/562802819.db2.gz ZOSJVBLEJMPEEW-UHFFFAOYSA-N 1 0 629.161 5.547 1 0 KKAFRO CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)/C=C/C[NH+](C)C ZINC000096928315 562802834 /nfs/dbraw/zinc/80/28/34/562802834.db2.gz LZTNXKNAAUFIGG-VQHVLOKHSA-N 1 0 509.006 5.021 1 0 KKAFRO O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929484 562803065 /nfs/dbraw/zinc/80/30/65/562803065.db2.gz NGQMIUZGTLTNIT-JOCHJYFZSA-N 1 0 514.553 5.360 1 0 KKAFRO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c2)c(OC)c1 ZINC000096932293 562803340 /nfs/dbraw/zinc/80/33/40/562803340.db2.gz SZGMVWOKBLERTJ-UHFFFAOYSA-N 1 0 652.723 7.371 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932305 562803342 /nfs/dbraw/zinc/80/33/42/562803342.db2.gz PANXQWFJZSTTQB-UHFFFAOYSA-N 1 0 689.710 7.524 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932296 562803369 /nfs/dbraw/zinc/80/33/69/562803369.db2.gz BCSJSMJDKXRSBQ-UHFFFAOYSA-N 1 0 624.688 7.883 1 0 KKAFRO S=c1n(CN2CC[NH+](Cc3ccccc3)CC2)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937763 562804323 /nfs/dbraw/zinc/80/43/23/562804323.db2.gz RPIBMZIYJGOYQY-UHFFFAOYSA-N 1 0 534.173 6.300 1 0 KKAFRO COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2OCCC[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000098085295 562805825 /nfs/dbraw/zinc/80/58/25/562805825.db2.gz KNSPVQILFASOKR-UHFFFAOYSA-N 1 0 520.576 5.334 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccccc2-c2ccccc2)C1C(=O)OCC ZINC000098085848 562805887 /nfs/dbraw/zinc/80/58/87/562805887.db2.gz AIPUGYVKGPVRPC-SLPYKNDMSA-N 1 0 514.622 6.637 1 0 KKAFRO NC(=[NH2+])c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000098209203 562806034 /nfs/dbraw/zinc/80/60/34/562806034.db2.gz YVYNZHGMLLXWDD-UHFFFAOYSA-N 1 0 552.616 5.188 1 0 in-vitro KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCc2ccccc2)C(CCCCC)C1C(=O)OCCCc1ccccc1 ZINC000100033956 562806272 /nfs/dbraw/zinc/80/62/72/562806272.db2.gz SRXLAVOHOUQJFM-PTBNBFCCSA-N 1 0 503.683 7.526 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3ccccc3)onc2-c2ccccc2)C1C(=O)OCC ZINC000100037068 562806303 /nfs/dbraw/zinc/80/63/03/562806303.db2.gz HMVLNQGQWYEOQC-FSPIHMFUSA-N 1 0 500.595 6.328 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccc(F)cc2)C1 ZINC000100076274 562806604 /nfs/dbraw/zinc/80/66/04/562806604.db2.gz JXESXABALCUOOS-RLPLKTQASA-N 1 0 572.729 5.840 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CC[N@@H+](C)C2 ZINC000100076164 562806624 /nfs/dbraw/zinc/80/66/24/562806624.db2.gz VTHUVDPWVIEZKJ-PKQPGRETSA-N 1 0 526.729 5.785 1 0 KKAFRO CCCC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076168 562806630 /nfs/dbraw/zinc/80/66/30/562806630.db2.gz PVCYWAHGRMMCRN-CSSKISATSA-N 1 0 582.793 6.481 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000100675964 562807238 /nfs/dbraw/zinc/80/72/38/562807238.db2.gz VJCWSUDRKYYTKD-MUUNZHRXSA-N 1 0 501.542 8.705 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000100675972 562807254 /nfs/dbraw/zinc/80/72/54/562807254.db2.gz SYQVCWIHBLUHRD-LJAQVGFWSA-N 1 0 515.569 9.013 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccc(OC)c(OC)c2)cc1 ZINC000100760066 562807698 /nfs/dbraw/zinc/80/76/98/562807698.db2.gz GUCKXKSRGHSRQI-YHTXFFTCSA-N 1 0 541.736 6.562 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000100844062 562808214 /nfs/dbraw/zinc/80/82/14/562808214.db2.gz SZESKYUCLVPQFH-XYTTWMLMSA-N 1 0 591.626 5.943 1 0 KKAFRO CC(C)(Cc1cc[nH]c1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101051217 562808905 /nfs/dbraw/zinc/80/89/05/562808905.db2.gz KKIXJJBSHVMTCC-QABMSTFYSA-N 1 0 519.649 5.811 1 0 KKAFRO CC(C)(Cc1ccccc1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101049013 562808931 /nfs/dbraw/zinc/80/89/31/562808931.db2.gz VAZIRCJVSIHJCE-XYFQYJLHSA-N 1 0 530.672 6.483 1 0 KKAFRO Clc1ccc2c(c1)nc1n(/c2=N\CCCCCCCCN[C@@H]2c3ccc(Cl)cc3[NH+]=C3CCCN32)CCC1 ZINC000101053618 562808943 /nfs/dbraw/zinc/80/89/43/562808943.db2.gz VEIMVQZEDAZLJO-OMIPAGTHSA-N 1 0 551.566 6.958 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F ZINC000101085951 562809035 /nfs/dbraw/zinc/80/90/35/562809035.db2.gz LVDRNYWTLKUNNT-OYRHEFFESA-N 1 0 507.071 5.489 1 0 KKAFRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1 ZINC000101132100 562809342 /nfs/dbraw/zinc/80/93/42/562809342.db2.gz CQABPCACTMBCQC-HZCBDIJESA-N 1 0 519.107 5.359 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+]([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000101127775 562809370 /nfs/dbraw/zinc/80/93/70/562809370.db2.gz KAHFZGUOPFFVHW-MEMLXQNLSA-N 1 0 526.530 5.192 1 0 KKAFRO COC(=O)[C@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193599 562809889 /nfs/dbraw/zinc/80/98/89/562809889.db2.gz RRFIHKNSVPKCRY-AXMAENODSA-N 1 0 594.775 6.990 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101506277 562811077 /nfs/dbraw/zinc/81/10/77/562811077.db2.gz WHEQWKJMWXXWPK-HCWPQUIBSA-N 1 0 641.758 5.907 1 0 KKAFRO CC(C)(Cc1ccc(Cl)cc1Cl)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101507662 562811079 /nfs/dbraw/zinc/81/10/79/562811079.db2.gz CVPHPXWFTJMIJZ-ZOYWYXQUSA-N 1 0 599.562 7.790 1 0 KKAFRO O=c1cc(N2CCOCC2)oc2c1cccc2-c1ccc(OCC[NH+]2CCCCC2)c2c3ccccc3sc21 ZINC000101696287 562811840 /nfs/dbraw/zinc/81/18/40/562811840.db2.gz BAPVMIYPJFUJJL-UHFFFAOYSA-N 1 0 540.685 6.529 1 0 KKAFRO CCNC(=[NH2+])SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176224 562815063 /nfs/dbraw/zinc/81/50/63/562815063.db2.gz GCQZCZHVCHDMDQ-UHFFFAOYSA-N 1 0 588.783 6.277 1 0 KKAFRO Clc1ccc([C@@H](Cn2cncn2)C[NH+](C/C=C/c2ccccc2)C/C=C/c2ccccc2)c(Cl)c1 ZINC000103176097 562815068 /nfs/dbraw/zinc/81/50/68/562815068.db2.gz HVILDJJFPBAMPJ-WGDDOWTBSA-N 1 0 503.477 7.098 1 0 KKAFRO Cc1cccc(OCc2ccccc2-c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)c1 ZINC000103187445 562815488 /nfs/dbraw/zinc/81/54/88/562815488.db2.gz NTKREJLOZQPCEP-UHFFFAOYSA-N 1 0 545.752 7.605 1 0 KKAFRO O[C@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000103189328 562815612 /nfs/dbraw/zinc/81/56/12/562815612.db2.gz IRXOYNKHWNAGPH-QHCPKHFHSA-N 1 0 569.956 5.988 1 0 KKAFRO CCCCC[C@@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103217232 562817214 /nfs/dbraw/zinc/81/72/14/562817214.db2.gz ADFBYICNEHVZQD-RUZDIDTESA-N 1 0 579.782 7.108 1 0 KKAFRO NC(=O)[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103224233 562817561 /nfs/dbraw/zinc/81/75/61/562817561.db2.gz MBMOHZHCIADYJD-JSCPRHNGSA-N 1 0 500.857 6.181 1 0 KKAFRO NC(=O)[C@]1(c2cc(F)c(F)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227230 562817903 /nfs/dbraw/zinc/81/79/03/562817903.db2.gz VQHSKQPDXFAYKU-YBCKSGLRSA-N 1 0 502.392 5.806 1 0 KKAFRO Clc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230105 562818099 /nfs/dbraw/zinc/81/80/99/562818099.db2.gz ZEIFJJKBAHPYGV-XHBHTSLYSA-N 1 0 502.470 7.392 1 0 KKAFRO Fc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(F)cc2)cc1 ZINC000103230160 562818121 /nfs/dbraw/zinc/81/81/21/562818121.db2.gz OHKCOQGAJDGEIC-PGSXWIQSSA-N 1 0 504.005 7.017 1 0 KKAFRO COc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@H]2c1ccccc1OC ZINC000103230145 562818146 /nfs/dbraw/zinc/81/81/46/562818146.db2.gz AVUVBKGKDCOGSY-PEEFESNKSA-N 1 0 528.077 6.756 1 0 KKAFRO Clc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccccc3)N1[C@@H]2c1ccccc1Cl ZINC000103231047 562818250 /nfs/dbraw/zinc/81/82/50/562818250.db2.gz OHPJBWPFNZCIEX-HEPAGWHJSA-N 1 0 502.470 7.392 1 0 KKAFRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2c1)c1ccccc1C(=O)N1CCCCCC1 ZINC000103233200 562818453 /nfs/dbraw/zinc/81/84/53/562818453.db2.gz GIPFZYIDTGSYHG-CXAYTTCISA-N 1 0 513.657 5.921 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234241 562818606 /nfs/dbraw/zinc/81/86/06/562818606.db2.gz FIOVRQYTOCQIIS-UHFFFAOYSA-N 1 0 573.565 5.003 1 0 KKAFRO O=S(=O)(c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 ZINC000103239873 562819358 /nfs/dbraw/zinc/81/93/58/562819358.db2.gz AHBQEXAYASMAHF-HKBQPEDESA-N 1 0 561.785 5.214 1 0 KKAFRO CC(/C=C/CCC[NH+](C)C)=C\[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1 ZINC000103240931 562819503 /nfs/dbraw/zinc/81/95/03/562819503.db2.gz PXCYCPSQPJJSJC-DVJHLUFPSA-N 1 0 643.891 7.057 1 0 KKAFRO CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1)=C\C[NH+](C)C ZINC000103240924 562819504 /nfs/dbraw/zinc/81/95/04/562819504.db2.gz VSVORQIMRUVRPE-SRPNJBBOSA-N 1 0 526.743 6.159 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CN3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000103245929 562819807 /nfs/dbraw/zinc/81/98/07/562819807.db2.gz AJDGDNYRKCASLC-PMERELPUSA-N 1 0 542.526 6.570 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C ZINC000103258231 562820948 /nfs/dbraw/zinc/82/09/48/562820948.db2.gz ZTNZCYHAMGCHNM-LJAQVGFWSA-N 1 0 576.719 5.266 1 0 KKAFRO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000103259455 562821125 /nfs/dbraw/zinc/82/11/25/562821125.db2.gz HUJMMKROGZIWHI-HFLBTKGNSA-N 1 0 511.645 5.537 1 0 KKAFRO O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261474 562821380 /nfs/dbraw/zinc/82/13/80/562821380.db2.gz LAMYCJIXYOSQFI-NDEPHWFRSA-N 1 0 592.584 5.882 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)COc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000103262198 562821593 /nfs/dbraw/zinc/82/15/93/562821593.db2.gz WPMFDRILQMCTSY-NLFSJDMNSA-N 1 0 569.672 6.223 1 0 KKAFRO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000103262197 562821611 /nfs/dbraw/zinc/82/16/11/562821611.db2.gz BQDGAJWCSHNVOS-INXMUBLWSA-N 1 0 547.678 6.761 1 0 KKAFRO CC[C@H]1CN(c2ncc(-c3ncc[nH]3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266145 562822233 /nfs/dbraw/zinc/82/22/33/562822233.db2.gz CSDQKSDODZFEOX-NRFANRHFSA-N 1 0 517.480 5.483 1 0 KKAFRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267518 562822404 /nfs/dbraw/zinc/82/24/04/562822404.db2.gz DGPCMSCYMIEVSG-UHFFFAOYSA-N 1 0 593.675 7.204 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267524 562822440 /nfs/dbraw/zinc/82/24/40/562822440.db2.gz KNWXDUNKBINOJC-UHFFFAOYSA-N 1 0 590.650 6.402 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268306 562822672 /nfs/dbraw/zinc/82/26/72/562822672.db2.gz BVBKKSBNHAKHEX-AFPLUKJUSA-N 1 0 646.902 5.289 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4cc(C(=O)Nc5ccc(Cl)cc5)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269240 562822762 /nfs/dbraw/zinc/82/27/62/562822762.db2.gz XKGFBHRRQPVVFV-UHFFFAOYSA-N 1 0 558.086 5.308 1 0 KKAFRO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000103283325 562823676 /nfs/dbraw/zinc/82/36/76/562823676.db2.gz AMFLRSGHEOLETB-YABBVRICSA-N 1 0 505.884 5.564 1 0 KKAFRO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000103299745 562824898 /nfs/dbraw/zinc/82/48/98/562824898.db2.gz CHMLLMSKDHHBFP-FSIALJLISA-N 1 0 573.822 6.980 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114034837 562826959 /nfs/dbraw/zinc/82/69/59/562826959.db2.gz BVSKHIIWHAYTKD-IBGZPJMESA-N 1 0 545.043 5.323 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C[NH+](C)C)cn4)c3c2)cc(Cl)c1O ZINC000114036197 562827023 /nfs/dbraw/zinc/82/70/23/562827023.db2.gz PJXKNGRBOTXYTC-UHFFFAOYSA-N 1 0 503.002 6.062 1 0 KKAFRO [NH3+]C1(c2ccc(-c3nn4c(cc3-c3ccccc3)nc(Br)c4-c3ccc(F)cc3)cc2)CCC1 ZINC000114037580 562827159 /nfs/dbraw/zinc/82/71/59/562827159.db2.gz XIAATWNZHKYOQL-UHFFFAOYSA-N 1 0 513.414 6.970 1 0 KKAFRO CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC000114037514 562827170 /nfs/dbraw/zinc/82/71/70/562827170.db2.gz CVTUKVIQVMHDFD-GOSISDBHSA-N 1 0 518.017 5.538 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099734 562827601 /nfs/dbraw/zinc/82/76/01/562827601.db2.gz YUOQDCRTZDLQDD-HSZRJFAPSA-N 1 0 510.078 5.500 1 0 KKAFRO CC1(C)c2[nH]nc(NC(=O)c3cccc(Oc4ccccc4)c3)c2CN1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000114182290 562827901 /nfs/dbraw/zinc/82/79/01/562827901.db2.gz LDMPPKUZRMIUHB-SANMLTNESA-N 1 0 536.636 5.272 1 0 KKAFRO O=S(=O)(NCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114599672 562828342 /nfs/dbraw/zinc/82/83/42/562828342.db2.gz ZMIWRRKLVCCVBJ-UHFFFAOYSA-N 1 0 522.067 5.773 1 0 KKAFRO Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000114599457 562828357 /nfs/dbraw/zinc/82/83/57/562828357.db2.gz RAYWFVBTQQRRAT-UHFFFAOYSA-N 1 0 505.612 5.177 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[NH+]4CCCCC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754772 562828450 /nfs/dbraw/zinc/82/84/50/562828450.db2.gz VLFJNCVNWVVWAV-UHFFFAOYSA-N 1 0 549.679 6.520 1 0 KKAFRO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OC4CC[NH+](C)CC4)ccn32)n1 ZINC000117881691 562829910 /nfs/dbraw/zinc/82/99/10/562829910.db2.gz RHDXUUDHWYWTHB-UHFFFAOYSA-N 1 0 535.652 5.038 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([N@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789035 562830595 /nfs/dbraw/zinc/83/05/95/562830595.db2.gz JHUAOSPKENTLLI-DEILBTJESA-N 1 0 618.262 8.070 1 0 KKAFRO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)C(=O)N3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118793948 562830624 /nfs/dbraw/zinc/83/06/24/562830624.db2.gz YJNAVDANBICIEK-HUBRWUETSA-N 1 0 604.191 6.471 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793938 562830625 /nfs/dbraw/zinc/83/06/25/562830625.db2.gz CQVINMJHLMFOCD-SERWZODPSA-N 1 0 618.218 7.114 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793936 562830633 /nfs/dbraw/zinc/83/06/33/562830633.db2.gz CQVINMJHLMFOCD-KOOBERTFSA-N 1 0 618.218 7.114 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797930 562830692 /nfs/dbraw/zinc/83/06/92/562830692.db2.gz WKPFGADMDMLPOJ-PJBRNLGDSA-N 1 0 604.191 6.866 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[NH2+]C3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798204 562830729 /nfs/dbraw/zinc/83/07/29/562830729.db2.gz RMGSYAJRAGOIFI-CURJATOHSA-N 1 0 562.154 6.640 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118819706 562830745 /nfs/dbraw/zinc/83/07/45/562830745.db2.gz VGLGNSRSXLUAAG-MELYXTHRSA-N 1 0 604.191 6.866 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@H]3C)n1 ZINC000138445289 562831889 /nfs/dbraw/zinc/83/18/89/562831889.db2.gz YCYJCQNPVKDAGA-KRWDZBQOSA-N 1 0 616.616 5.350 1 0 KKAFRO CC[NH+]1CCN([C@@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929035 562832264 /nfs/dbraw/zinc/83/22/64/562832264.db2.gz JVGNHFZOVWJKER-SSEXGKCCSA-N 1 0 533.680 5.468 1 0 KKAFRO CCCc1ncccc1C[N@H+](CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O ZINC000139601568 562832643 /nfs/dbraw/zinc/83/26/43/562832643.db2.gz HWHJLTXOSDACJN-UHFFFAOYSA-N 1 0 627.786 5.577 1 0 KKAFRO Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@H]1C[C@@H]([NH3+])C[C@@H](C(F)(F)F)C1 ZINC000140146948 562832898 /nfs/dbraw/zinc/83/28/98/562832898.db2.gz JVTKKKZABXBICW-FRRDWIJNSA-N 1 0 509.454 5.169 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000140476523 562833068 /nfs/dbraw/zinc/83/30/68/562833068.db2.gz YUSXAXXYSSHTFP-CHMLHNBXSA-N 1 0 577.681 5.499 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000140610562 562833254 /nfs/dbraw/zinc/83/32/54/562833254.db2.gz ZHOXUZURILSINR-UHFFFAOYSA-N 1 0 617.636 5.690 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)OC)c[nH]2)c1 ZINC000141639741 562833670 /nfs/dbraw/zinc/83/36/70/562833670.db2.gz JOLDEZJJHVPLPN-HHHXNRCGSA-N 1 0 545.615 5.674 1 0 KKAFRO Cc1nc(N[C@H](C)c2cccc(-c3ccc(N4CC[NH2+]CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807750 562833765 /nfs/dbraw/zinc/83/37/65/562833765.db2.gz GXIQTOFJWLRYOF-LJQANCHMSA-N 1 0 507.667 5.706 1 0 KKAFRO C[C@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142004970 562833891 /nfs/dbraw/zinc/83/38/91/562833891.db2.gz PIQWOQHEODPFLM-IZZNHLLZSA-N 1 0 561.782 8.868 1 0 KKAFRO c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccncc6)n[nH]5)CC4)cc3)nnc1-2 ZINC000142014013 562833903 /nfs/dbraw/zinc/83/39/03/562833903.db2.gz FJCWCPHHVCAGJJ-UHFFFAOYSA-N 1 0 552.646 5.613 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2ncc(-c3ccccc3)n2C)c1 ZINC000142096505 562833924 /nfs/dbraw/zinc/83/39/24/562833924.db2.gz FHWXIPBEHALDHZ-MHZLTWQESA-N 1 0 501.606 5.898 1 0 KKAFRO CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Br)ccc1OC[C@@H]1CCC[N@@H+]1C ZINC000142188104 562833962 /nfs/dbraw/zinc/83/39/62/562833962.db2.gz RPSJSJZDPRLONT-RHGYLGJDSA-N 1 0 508.526 5.480 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280828 562834152 /nfs/dbraw/zinc/83/41/52/562834152.db2.gz DPRHDWBFUWCIKZ-DENIHFKCSA-N 1 0 511.496 5.012 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142432841 562834186 /nfs/dbraw/zinc/83/41/86/562834186.db2.gz AAXNFMPKDBJFBY-LSYYVWMOSA-N 1 0 577.578 5.163 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555814 562834221 /nfs/dbraw/zinc/83/42/21/562834221.db2.gz CEZKXCISFFAHCY-UNMCSNQZSA-N 1 0 511.496 5.012 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000142750198 562834299 /nfs/dbraw/zinc/83/42/99/562834299.db2.gz LPPJWLCHFVAEHR-XMVWRQPZSA-N 1 0 528.114 5.455 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000142716117 562834308 /nfs/dbraw/zinc/83/43/08/562834308.db2.gz HIVHEOCGLZASLB-GBXCKJPGSA-N 1 0 521.678 6.110 1 0 KKAFRO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc12 ZINC000143027287 562834471 /nfs/dbraw/zinc/83/44/71/562834471.db2.gz ADWYMXOWUKHDBM-UHFFFAOYSA-N 1 0 606.637 5.688 1 0 KKAFRO CSc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000143012044 562834506 /nfs/dbraw/zinc/83/45/06/562834506.db2.gz SEIIYUCYULPFJQ-UHFFFAOYSA-N 1 0 560.691 5.135 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143249071 562834837 /nfs/dbraw/zinc/83/48/37/562834837.db2.gz AYHOCUNWSMDBOV-SFTDATJTSA-N 1 0 511.496 5.012 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)nc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000143309330 562834883 /nfs/dbraw/zinc/83/48/83/562834883.db2.gz SGRORDSPRIKCOQ-UHFFFAOYSA-N 1 0 611.599 7.879 1 0 KKAFRO CC[N@@H+]1CCC[C@@H]1CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143339906 562834943 /nfs/dbraw/zinc/83/49/43/562834943.db2.gz XMZZJVAMXAIKCD-SSDOTTSWSA-N 1 0 559.926 5.509 1 0 KKAFRO CCCCC[NH2+][C@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143368318 562835000 /nfs/dbraw/zinc/83/50/00/562835000.db2.gz DOPOFCFAXCHMPP-WDEREUQCSA-N 1 0 616.034 7.116 1 0 KKAFRO Brc1c2nc(N3CC[NH2+]CC3)n(Cc3ccccc3)c2c(Br)c(Br)c1Br ZINC000143697374 562835253 /nfs/dbraw/zinc/83/52/53/562835253.db2.gz RJPCMGQQJFFYQO-UHFFFAOYSA-N 1 0 607.970 5.544 1 0 KKAFRO C[NH+]1CCN(CCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000144747366 562836601 /nfs/dbraw/zinc/83/66/01/562836601.db2.gz STXIATKXBRTSLG-XZWHSSHBSA-N 1 0 590.555 5.319 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145961708 562837814 /nfs/dbraw/zinc/83/78/14/562837814.db2.gz YRPFUQZDIAIQNW-UHFFFAOYSA-N 1 0 604.029 5.955 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146203209 562838337 /nfs/dbraw/zinc/83/83/37/562838337.db2.gz PJPZHMVRKXWUJC-UHFFFAOYSA-N 1 0 602.665 5.509 1 0 KKAFRO Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146186180 562838342 /nfs/dbraw/zinc/83/83/42/562838342.db2.gz LIHQNCVREOPPOC-OAQYLSRUSA-N 1 0 567.660 5.370 1 0 KKAFRO Brc1sc2nccc(N3CCC(COCC[NH+]4CCCC4)CC3)c2c1-c1ccccc1 ZINC000146389436 562838516 /nfs/dbraw/zinc/83/85/16/562838516.db2.gz LEXLMDOKCMLTOR-UHFFFAOYSA-N 1 0 500.506 6.055 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906861 562838862 /nfs/dbraw/zinc/83/88/62/562838862.db2.gz AEJRFQRMYCKSKQ-LUHADWIUSA-N 1 0 576.540 5.550 1 0 KKAFRO CCN(c1cc(-c2ccc(C[NH+](CC)CC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000147061935 562839101 /nfs/dbraw/zinc/83/91/01/562839101.db2.gz UHPLNSCHNQCZNQ-UHFFFAOYSA-N 1 0 558.767 5.744 1 0 KKAFRO CCc1cc(C2CC[NH2+]CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(N)=O)n1 ZINC000147949957 562839795 /nfs/dbraw/zinc/83/97/95/562839795.db2.gz JMXXELDLOUPZFT-UHFFFAOYSA-N 1 0 511.592 5.081 1 0 KKAFRO C[NH+](C)CC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccc5)C5CC5)cc43)cc2)CC1 ZINC000147983109 562839799 /nfs/dbraw/zinc/83/97/99/562839799.db2.gz WGEHOPBYUQXTMK-WJOKGBTCSA-N 1 0 551.691 5.042 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N(C)CC[NH+](C)C)nc43)c2)cc1C(F)(F)F ZINC000148064229 562840079 /nfs/dbraw/zinc/84/00/79/562840079.db2.gz JMWZESSBMMDLCI-UHFFFAOYSA-N 1 0 574.995 5.094 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148161283 562840352 /nfs/dbraw/zinc/84/03/52/562840352.db2.gz CFVOEKPWYXSLMG-UHFFFAOYSA-N 1 0 572.567 5.065 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148341082 562841039 /nfs/dbraw/zinc/84/10/39/562841039.db2.gz JUWHIUMFCPIQIH-UHFFFAOYSA-N 1 0 622.652 5.054 1 0 KKAFRO COc1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148753477 562841781 /nfs/dbraw/zinc/84/17/81/562841781.db2.gz YUEGRPWDOBJWDW-UHFFFAOYSA-N 1 0 552.019 5.662 1 0 KKAFRO C[C@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1 ZINC000148779132 562841785 /nfs/dbraw/zinc/84/17/85/562841785.db2.gz NNWHHZWGFMXAIM-RPWUZVMVSA-N 1 0 513.697 8.124 1 0 KKAFRO O=C(Nc1cccc(Nc2ncnc3cc(OCCCN4CC[NH+](CCO)CC4)ccc32)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000150522860 562843538 /nfs/dbraw/zinc/84/35/38/562843538.db2.gz PJJYEJOYFHFLRW-UHFFFAOYSA-N 1 0 644.098 6.068 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(Cl)cc2F)CC1 ZINC000150537926 562844034 /nfs/dbraw/zinc/84/40/34/562844034.db2.gz JYFBREXHDMGSRL-KMCMVZAKSA-N 1 0 692.301 7.377 1 0 KKAFRO CCOC(=O)O[C@@H](C)OC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000150575730 562845291 /nfs/dbraw/zinc/84/52/91/562845291.db2.gz MAOJZHGDKWSCPV-RNFIYWKYSA-N 1 0 855.853 8.300 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586036 562845820 /nfs/dbraw/zinc/84/58/20/562845820.db2.gz XUEBXQWSAJBKJO-WNOXWKSXSA-N 1 0 741.878 6.253 1 0 KKAFRO Cc1ccc([C@@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586663 562845852 /nfs/dbraw/zinc/84/58/52/562845852.db2.gz MFAMOPUOBNKRKO-BYYXFNHRSA-N 1 0 755.905 6.561 1 0 KKAFRO COc1ccc([C@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588788 562846020 /nfs/dbraw/zinc/84/60/20/562846020.db2.gz POYPFFFZHMNIBL-HCJVMEMPSA-N 1 0 771.904 6.261 1 0 KKAFRO COc1ccc([C@@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588789 562846050 /nfs/dbraw/zinc/84/60/50/562846050.db2.gz DEHAHKKDJRYULL-RIEGYYRVSA-N 1 0 801.930 6.270 1 0 KKAFRO NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCC[NH+]2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593680 562846454 /nfs/dbraw/zinc/84/64/54/562846454.db2.gz MKKJIZLBKPCEJF-GOSISDBHSA-N 1 0 647.395 5.442 1 0 KKAFRO CCCC[NH+]1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606213 562847904 /nfs/dbraw/zinc/84/79/04/562847904.db2.gz WOBWACBYJMRKDB-JUKUECOXSA-N 1 0 674.956 6.416 1 0 KKAFRO CC(C)[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606292 562847911 /nfs/dbraw/zinc/84/79/11/562847911.db2.gz AVNPYHOCFYSARF-IKYOIFQTSA-N 1 0 692.946 6.206 1 0 KKAFRO CC(C)(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1cccc(F)c1N1CC[NH+](C(C)(C)C)CC1 ZINC000150606299 562847935 /nfs/dbraw/zinc/84/79/35/562847935.db2.gz CWVIRPPISINNPT-LBHUVFDKSA-N 1 0 706.973 6.596 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000150610328 562848348 /nfs/dbraw/zinc/84/83/48/562848348.db2.gz WVEOCIDEMLGQGM-SKNZIIAUSA-N 1 0 667.796 6.516 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611930 562848548 /nfs/dbraw/zinc/84/85/48/562848548.db2.gz OWUNWYFBVXAWFX-PSDDJHKBSA-N 1 0 639.789 7.179 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](c2cccc(Cl)c2)[C@]12c1cc(F)c(Cl)cc1N(C(=O)C1CC1)C2=O ZINC000164640259 562849680 /nfs/dbraw/zinc/84/96/80/562849680.db2.gz UEKYYLCINSYWHM-XMUPGDTHSA-N 1 0 669.625 5.295 1 0 KKAFRO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[NH+](C)C)c3)CC2)cs1 ZINC000166577964 562850456 /nfs/dbraw/zinc/85/04/56/562850456.db2.gz SHQDMXDGBWKKKZ-PSWAGMNNSA-N 1 0 603.720 5.683 1 0 KKAFRO c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1 ZINC000166994381 562850588 /nfs/dbraw/zinc/85/05/88/562850588.db2.gz MIPHANSBMGABAD-UHFFFAOYSA-N 1 0 537.671 6.659 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12 ZINC000167034042 562850600 /nfs/dbraw/zinc/85/06/00/562850600.db2.gz RPNCUMDQEOYYNO-SANMLTNESA-N 1 0 594.613 6.168 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@@H+]4CCCOCC4)c3)CC2)nn1C ZINC000167316878 562850686 /nfs/dbraw/zinc/85/06/86/562850686.db2.gz KZOXYCHDEODHMX-HNRBIFIRSA-N 1 0 656.759 5.121 1 0 KKAFRO NC(=O)[C@H]([NH2+][C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000167664758 562851062 /nfs/dbraw/zinc/85/10/62/562851062.db2.gz PDJAYZAJEHUMDM-JRDPRXTNSA-N 1 0 538.614 5.007 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cc6ccccn6n5)CC4)c3)cc2)C[C@H](C)[NH2+]1 ZINC000167776537 562851092 /nfs/dbraw/zinc/85/10/92/562851092.db2.gz IWFKTDGQARWPEC-MAYPULDCSA-N 1 0 675.809 5.981 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000168367810 562851343 /nfs/dbraw/zinc/85/13/43/562851343.db2.gz MKROHLHAQJWPTH-GJEQZTTHSA-N 1 0 541.618 5.601 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293794 562852128 /nfs/dbraw/zinc/85/21/28/562852128.db2.gz AEXUFSNLZAPTED-ILBGXUMGSA-N 1 0 540.717 6.402 1 0 KKAFRO CC[NH+]1CCN(CN2C(=O)S[C@H](N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000169298828 562852720 /nfs/dbraw/zinc/85/27/20/562852720.db2.gz MVJZVYGZPFMUAF-IAPPQJPRSA-N 1 0 548.112 5.261 1 0 KKAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169298920 562852746 /nfs/dbraw/zinc/85/27/46/562852746.db2.gz BDCQVJBDZRVSHT-CSIJRYOKSA-N 1 0 529.706 5.112 3 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000169304708 562853374 /nfs/dbraw/zinc/85/33/74/562853374.db2.gz MAIPLBUKRSVRMT-KMYPOQQFSA-N 1 0 551.042 6.058 1 0 KKAFRO COc1ccc(C2=NN(CCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307478 562853803 /nfs/dbraw/zinc/85/38/03/562853803.db2.gz GRNBKBZWMMRNLG-ZNYQKRLWSA-N 1 0 672.823 5.444 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(OC3CCCCC3)cc2)nn1C ZINC000169312783 562855441 /nfs/dbraw/zinc/85/54/41/562855441.db2.gz LRXMTNCXDHTHJA-UHFFFAOYSA-N 1 0 576.782 7.341 1 0 KKAFRO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317795 562856050 /nfs/dbraw/zinc/85/60/50/562856050.db2.gz DPSGNGUIODYZLY-RPLLCQBOSA-N 1 0 501.545 5.790 1 0 KKAFRO COc1ccc(/C=C/c2cc(C(C)(C)C)c(OC[C@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c2)cc1Br ZINC000169318856 562856130 /nfs/dbraw/zinc/85/61/30/562856130.db2.gz HSRLNQOAWSUWKN-NELJVSICSA-N 1 0 532.563 6.961 1 0 KKAFRO COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)c1ccccc1)OCO4 ZINC000169319058 562856152 /nfs/dbraw/zinc/85/61/52/562856152.db2.gz UKGMWDVLYUOWJL-JHXDXHAQSA-N 1 0 624.901 5.610 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5cnccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321706 562856744 /nfs/dbraw/zinc/85/67/44/562856744.db2.gz ZQGIWKASPWHWQM-UHFFFAOYSA-N 1 0 547.634 6.129 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(/C=C/S(=O)(=O)c4ccc(F)cc4)cc32)c1C ZINC000169323186 562856974 /nfs/dbraw/zinc/85/69/74/562856974.db2.gz IMLIMIHJCAGJRA-CNZVOFPNSA-N 1 0 578.710 5.170 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324408 562857296 /nfs/dbraw/zinc/85/72/96/562857296.db2.gz PKGYZDAFSIPMQA-UHFFFAOYSA-N 1 0 591.800 7.383 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324402 562857313 /nfs/dbraw/zinc/85/73/13/562857313.db2.gz OOLYGGOEVPIMQJ-UHFFFAOYSA-N 1 0 535.692 5.822 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325211 562857570 /nfs/dbraw/zinc/85/75/70/562857570.db2.gz FHUVJFQMWJHJJK-UHFFFAOYSA-N 1 0 562.802 9.047 1 0 KKAFRO O[C@@H]1CC[C@@]23C[C@]45C[N@@H+]6CC[C@H]4C(c4nccc7c8ccccc8[nH]c74)=C[C@@](O)(CC/C=C\CCCC6)[C@@H]5N2CC[C@@H]1O3 ZINC000169326891 562857853 /nfs/dbraw/zinc/85/78/53/562857853.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 1 0 580.773 5.387 1 0 KKAFRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 ZINC000169328264 562858344 /nfs/dbraw/zinc/85/83/44/562858344.db2.gz FURIEPCHQHZWDN-HLMSNRGBSA-N 1 0 528.692 5.533 1 0 KKAFRO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O ZINC000169329956 562858607 /nfs/dbraw/zinc/85/86/07/562858607.db2.gz ZHTRZMVAQXYXBW-CZJMETBBSA-N 1 0 501.424 5.854 1 0 KKAFRO CN1c2ccc(F)cc2C2(CC[NH+](CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC[NH3+])c3ccc(Cl)c(Cl)c3)CC2)OC1=O ZINC000169331707 562859058 /nfs/dbraw/zinc/85/90/58/562859058.db2.gz BJJSAUJBYIASCJ-QTQRRKOQSA-N 1 0 698.667 5.551 1 0 KKAFRO Cc1cc(C)c2c(N)c(C(=O)NCCCCC[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1 ZINC000169331851 562859061 /nfs/dbraw/zinc/85/90/61/562859061.db2.gz FBWAJWVVFJJYLR-UHFFFAOYSA-N 1 0 501.096 5.032 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000169333551 562859311 /nfs/dbraw/zinc/85/93/11/562859311.db2.gz UVCUYLCLOWFICR-LJAQVGFWSA-N 1 0 535.094 9.070 1 0 KKAFRO CCCNC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)cc(N2CCCCC2)c1 ZINC000169334461 562859497 /nfs/dbraw/zinc/85/94/97/562859497.db2.gz ZMZTYRZAAPSDOQ-JHOUSYSJSA-N 1 0 600.804 5.052 1 0 KKAFRO CCCCCC[NH2+]C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335666 562859660 /nfs/dbraw/zinc/85/96/60/562859660.db2.gz CCGOKHDPIPZPTP-VWLOTQADSA-N 1 0 510.522 7.657 1 0 KKAFRO CCCCCC[NH2+]C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335665 562859664 /nfs/dbraw/zinc/85/96/64/562859664.db2.gz CCGOKHDPIPZPTP-RUZDIDTESA-N 1 0 510.522 7.657 1 0 KKAFRO CCCC(CCC)[NH+](C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1)C(CCC)CCC ZINC000169335649 562859676 /nfs/dbraw/zinc/85/96/76/562859676.db2.gz KWGHTIQHSNWCTG-XIFFEERXSA-N 1 0 622.738 10.726 1 0 KKAFRO CCCC(CCC)[NH+](C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1)C(CCC)CCC ZINC000169335646 562859697 /nfs/dbraw/zinc/85/96/97/562859697.db2.gz KWGHTIQHSNWCTG-MGBGTMOVSA-N 1 0 622.738 10.726 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335799 562859703 /nfs/dbraw/zinc/85/97/03/562859703.db2.gz KUYPFHNCLHPBLE-MHZLTWQESA-N 1 0 540.362 8.965 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169340851 562860645 /nfs/dbraw/zinc/86/06/45/562860645.db2.gz LHFVOBAHPLCIKW-RUZDIDTESA-N 1 0 527.974 6.509 3 0 KKAFRO C[C@@H]([N@@H+]1CCc2sc(-c3ccc(C(F)(F)F)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344443 562861328 /nfs/dbraw/zinc/86/13/28/562861328.db2.gz MORGRAPMKPOPCJ-PUAOIOHZSA-N 1 0 534.554 5.638 1 0 KKAFRO C[C@@H]([N@@H+]1CCc2sc(-c3cccc(C(F)(F)F)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344458 562861347 /nfs/dbraw/zinc/86/13/47/562861347.db2.gz JHEXOHMXBAZNMM-PUAOIOHZSA-N 1 0 534.554 5.638 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccc(O[C@@H](CC[NH+](C)C)c3ccccc3)cc2)cc1I ZINC000169345046 562861481 /nfs/dbraw/zinc/86/14/81/562861481.db2.gz LRXDNQUSKDBNMZ-DEOSSOPVSA-N 1 0 529.422 6.315 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1F ZINC000169345210 562861546 /nfs/dbraw/zinc/86/15/46/562861546.db2.gz OYZHDWUFYBWZDO-UHFFFAOYSA-N 1 0 662.809 6.720 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCCC1)C(=O)N1CCCCC1 ZINC000169346177 562861708 /nfs/dbraw/zinc/86/17/08/562861708.db2.gz QEOIXVPTMROGEO-VRMADYPISA-N 1 0 559.905 7.292 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(F)ccc3O)CC1 ZINC000169348362 562862165 /nfs/dbraw/zinc/86/21/65/562862165.db2.gz PTFCMHQQJABVMY-UHFFFAOYSA-N 1 0 586.630 7.605 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1)Oc1ccccc1 ZINC000169348479 562862277 /nfs/dbraw/zinc/86/22/77/562862277.db2.gz NGHNZQBWCRPHSF-KDXMTYKHSA-N 1 0 680.849 6.766 1 0 KKAFRO CCCCCCOc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000169349174 562862456 /nfs/dbraw/zinc/86/24/56/562862456.db2.gz GXIHSGIDZJWTEP-GDLZYMKVSA-N 1 0 560.735 6.130 1 0 KKAFRO O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353018 562863323 /nfs/dbraw/zinc/86/33/23/562863323.db2.gz JRWMGKBZYBCNSS-QNGWXLTQSA-N 1 0 691.251 7.894 1 0 KKAFRO C[C@@H]1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)C[C@H](C)O1 ZINC000169697647 562866489 /nfs/dbraw/zinc/86/64/89/562866489.db2.gz LZWGJFSNUBMYRN-SZPZYZBQSA-N 1 0 545.691 5.683 1 0 KKAFRO CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697639 562866507 /nfs/dbraw/zinc/86/65/07/562866507.db2.gz RDJQWBMPPFHDAB-UHFFFAOYSA-N 1 0 586.744 5.374 1 0 KKAFRO CC(C)(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697646 562866509 /nfs/dbraw/zinc/86/65/09/562866509.db2.gz IGHFMAADKBKBDC-UHFFFAOYSA-N 1 0 600.771 5.764 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702444 562868396 /nfs/dbraw/zinc/86/83/96/562868396.db2.gz VFIKBDAWVWUNSB-UHFFFAOYSA-N 1 0 607.759 5.077 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OCC(C)(C)C[NH+](C)C)cc3Cl)nc1-2 ZINC000169702503 562868417 /nfs/dbraw/zinc/86/84/17/562868417.db2.gz XHDBJEZJXSMVRH-UHFFFAOYSA-N 1 0 531.104 6.315 1 0 KKAFRO CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000169702687 562868516 /nfs/dbraw/zinc/86/85/16/562868516.db2.gz DLZSFWQZJYELDJ-QIBSBUDHSA-N 1 0 571.709 6.331 1 0 KKAFRO C[C@H](O)C(=O)N(C[C@@H]1C[NH2+]C[C@@H]1F)[C@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702689 562868526 /nfs/dbraw/zinc/86/85/26/562868526.db2.gz PBKOVUPJUCCOOS-ONBIGUJKSA-N 1 0 529.603 5.065 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(=[NH+]CC2CC2)N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704468 562868970 /nfs/dbraw/zinc/86/89/70/562868970.db2.gz VPQZSWBHRDFKJF-JOCHJYFZSA-N 1 0 525.493 6.084 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(=[NH+]CC2CC2)N[C@H]1c1ccccc1C(F)(F)F ZINC000169704483 562868994 /nfs/dbraw/zinc/86/89/94/562868994.db2.gz QPCNRKKLNWEPMN-QFIPXVFZSA-N 1 0 525.493 6.084 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@H]1c1ccccc1 ZINC000169704503 562869000 /nfs/dbraw/zinc/86/90/00/562869000.db2.gz HTKUYDWXNWUZMO-VWLOTQADSA-N 1 0 561.526 6.874 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169704536 562869011 /nfs/dbraw/zinc/86/90/11/562869011.db2.gz DEAYNPYVLBXTJG-VWLOTQADSA-N 1 0 595.971 7.527 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000169704505 562869015 /nfs/dbraw/zinc/86/90/15/562869015.db2.gz JAEZKAXWKYTEMD-RUZDIDTESA-N 1 0 595.971 7.527 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000169704525 562869026 /nfs/dbraw/zinc/86/90/26/562869026.db2.gz CDCXLHNEFJFNIK-AREMUKBSSA-N 1 0 558.000 6.517 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000169704527 562869027 /nfs/dbraw/zinc/86/90/27/562869027.db2.gz PYBPUCMFOMXANP-RUZDIDTESA-N 1 0 511.519 5.994 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1cccc(F)c1 ZINC000169704532 562869033 /nfs/dbraw/zinc/86/90/33/562869033.db2.gz KHYBZGUVPMZISW-SANMLTNESA-N 1 0 541.545 6.003 3 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705464 562869396 /nfs/dbraw/zinc/86/93/96/562869396.db2.gz QISCNELKGABNFQ-NRFANRHFSA-N 1 0 517.952 5.605 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](CC(C)(C)O)CC3)cc2)c1 ZINC000169711550 562871023 /nfs/dbraw/zinc/87/10/23/562871023.db2.gz FITOFMNTZFIKEH-UHFFFAOYSA-N 1 0 585.705 5.617 1 0 KKAFRO CC[NH+]1CCC(Oc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711532 562871024 /nfs/dbraw/zinc/87/10/24/562871024.db2.gz ZOPUETNLEJRCKX-UHFFFAOYSA-N 1 0 543.624 5.140 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000195441230 562871875 /nfs/dbraw/zinc/87/18/75/562871875.db2.gz YSVMMPOFNJLWKA-RRPNLBNLSA-N 1 0 559.106 5.964 1 0 KKAFRO Cc1ccc(F)cc1Cc1ccc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3NC3CCOCC3)c2c1 ZINC000200763108 562873442 /nfs/dbraw/zinc/87/34/42/562873442.db2.gz ZCTFOPDXSRRCIE-UHFFFAOYSA-N 1 0 556.686 5.196 1 0 KKAFRO CCc1cc(C2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(N)=O)n1 ZINC000201543685 562873539 /nfs/dbraw/zinc/87/35/39/562873539.db2.gz SXMOIWLLBKAOGR-UHFFFAOYSA-N 1 0 525.619 5.424 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN([C@@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1O ZINC000203987094 562874279 /nfs/dbraw/zinc/87/42/79/562874279.db2.gz GLQMCKGYHGHBCP-OAQYLSRUSA-N 1 0 521.061 5.100 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@H]([N@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422828 562874485 /nfs/dbraw/zinc/87/44/85/562874485.db2.gz VVYWQZGWGMFFKQ-AJTFRIOCSA-N 1 0 544.704 5.051 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@H]4CCC[N@@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204428423 562874505 /nfs/dbraw/zinc/87/45/05/562874505.db2.gz DBPAOJPBWIKHNC-FQEVSTJZSA-N 1 0 532.668 5.218 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1 ZINC000205179035 562874987 /nfs/dbraw/zinc/87/49/87/562874987.db2.gz IDRQGRCXNROMMS-UHFFFAOYSA-N 1 0 633.966 5.447 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)nc3)ncc2C1 ZINC000205372633 562875243 /nfs/dbraw/zinc/87/52/43/562875243.db2.gz QRCADIJQEQMSLL-UHFFFAOYSA-N 1 0 644.702 5.581 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc12 ZINC000205594975 562875577 /nfs/dbraw/zinc/87/55/77/562875577.db2.gz FDPFEWCMKUTRHJ-UHFFFAOYSA-N 1 0 660.303 9.028 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000205985292 562876083 /nfs/dbraw/zinc/87/60/83/562876083.db2.gz VYCWLZJQGMLJOM-CEUYOYMZSA-N 1 0 566.145 6.738 1 0 KKAFRO CC[C@@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)cc1 ZINC000206435866 562876407 /nfs/dbraw/zinc/87/64/07/562876407.db2.gz FJWKJYYIELZZNE-HXUWFJFHSA-N 1 0 554.622 5.735 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2ccc(CC(=O)O[C@@H]3CCCOC3)cc2)c1 ZINC000206446823 562876481 /nfs/dbraw/zinc/87/64/81/562876481.db2.gz TYQKKLYDAKRHED-HHHXNRCGSA-N 1 0 582.632 5.116 1 0 KKAFRO CC(C)(C)C1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206729430 562876485 /nfs/dbraw/zinc/87/64/85/562876485.db2.gz IMVSZLGPIXVDGH-UHFFFAOYSA-N 1 0 519.085 8.468 1 0 KKAFRO Clc1ccc(Oc2ccc3nc(-c4ccc(OCCC[NH+]5CCC(c6ccccc6)CC5)cc4)oc3c2)cc1 ZINC000206729490 562876498 /nfs/dbraw/zinc/87/64/98/562876498.db2.gz LEHXTBUNWUGMPW-UHFFFAOYSA-N 1 0 539.075 8.589 1 0 KKAFRO Cc1cccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccc(F)cc5)cc4)CC3)[nH]2)n1 ZINC000216212740 562877476 /nfs/dbraw/zinc/87/74/76/562877476.db2.gz JBYACRACFHYNTB-UHFFFAOYSA-N 1 0 544.638 6.071 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221457755 562878983 /nfs/dbraw/zinc/87/89/83/562878983.db2.gz JTODDVDFMYBPGG-UHFFFAOYSA-N 1 0 541.696 6.034 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4cc(Cl)ccc4[nH+]c4c3CCCC4)cc12 ZINC000221458286 562878992 /nfs/dbraw/zinc/87/89/92/562878992.db2.gz JUBDOIQNUNJQNE-UHFFFAOYSA-N 1 0 660.303 9.028 1 0 KKAFRO COc1ccc(OC)c(-c2c(C)sc3c2nc(-c2ccncc2)nc3NC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000223688354 562880163 /nfs/dbraw/zinc/88/01/63/562880163.db2.gz WPOPOBDJGSNXES-NRFANRHFSA-N 1 0 511.651 5.728 1 0 KKAFRO CC(C)OC(=O)CC[NH2+]CC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000224024473 562880191 /nfs/dbraw/zinc/88/01/91/562880191.db2.gz GSNFIMJMAFEKLP-UHFFFAOYSA-N 1 0 569.542 6.944 1 0 KKAFRO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000253635610 562882243 /nfs/dbraw/zinc/88/22/43/562882243.db2.gz XOQWEZVGZTXXBC-BEMOLVHJSA-N 1 0 531.737 5.287 1 0 KKAFRO O=C1N([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)CC[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253638890 562882524 /nfs/dbraw/zinc/88/25/24/562882524.db2.gz AHLGRBHVXQDOCE-KXTWMDTESA-N 1 0 610.639 6.485 1 0 KKAFRO COc1ccc([C@@H]2[C@@H](c3ccc([C@H](O)c4ccc(OCC[NH+]5CCCC5)cc4)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299829343 562884814 /nfs/dbraw/zinc/88/48/14/562884814.db2.gz TWJWRMVCNFZKDN-VATRIRCNSA-N 1 0 578.709 6.132 1 0 KKAFRO CCC1(CC)[NH2+][C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000299830634 562885317 /nfs/dbraw/zinc/88/53/17/562885317.db2.gz IRTYMVBGDAJRNN-XLKFOPSHSA-N 1 0 548.486 5.057 1 0 KKAFRO Cc1c(C(=O)NCCCC[NH2+]Cc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000299831557 562885622 /nfs/dbraw/zinc/88/56/22/562885622.db2.gz QQEVIUNXMFLAMF-UHFFFAOYSA-N 1 0 541.910 7.108 1 0 KKAFRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nc3nc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299834060 562886397 /nfs/dbraw/zinc/88/63/97/562886397.db2.gz BAZSGUUPMOBQTI-UHFFFAOYSA-N 1 0 603.605 6.055 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3N)ccc2OC)c1 ZINC000299835732 562886941 /nfs/dbraw/zinc/88/69/41/562886941.db2.gz MOBBWJFBIQCUMF-UHFFFAOYSA-N 1 0 537.660 6.345 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299836020 562886993 /nfs/dbraw/zinc/88/69/93/562886993.db2.gz XURDPEUDMWYWBO-UHFFFAOYSA-N 1 0 535.888 6.936 1 0 KKAFRO FC(F)(F)c1cc(-n2cc(C[NH+](C3CCCCC3)C3CCCCC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299836452 562887121 /nfs/dbraw/zinc/88/71/21/562887121.db2.gz NFUIBZUPMVHSMD-UHFFFAOYSA-N 1 0 525.541 7.321 1 0 KKAFRO CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)ccc1C ZINC000299836476 562887137 /nfs/dbraw/zinc/88/71/37/562887137.db2.gz NITWYWFBQXEHJU-MUUNZHRXSA-N 1 0 539.642 5.652 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299836465 562887148 /nfs/dbraw/zinc/88/71/48/562887148.db2.gz GWBQJBXETJIIFP-UHFFFAOYSA-N 1 0 718.786 6.151 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC([NH+](C)C)CC3)cc2)c(O)cc1O ZINC000299837035 562887363 /nfs/dbraw/zinc/88/73/63/562887363.db2.gz PATGSUWTMLNUFV-UHFFFAOYSA-N 1 0 518.658 5.418 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000299837839 562887652 /nfs/dbraw/zinc/88/76/52/562887652.db2.gz RYSYVUSXNRKLCL-QHCPKHFHSA-N 1 0 524.669 6.338 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299838499 562887841 /nfs/dbraw/zinc/88/78/41/562887841.db2.gz MWXLURJNASFGGM-UHFFFAOYSA-N 1 0 677.708 7.130 1 0 KKAFRO C[C@]12CC[C@@H]([C@H](CCC(=O)N3CC[NH2+]CC3)C(=O)OCc3ccccc3)[C@]1(C)CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000299838828 562887951 /nfs/dbraw/zinc/88/79/51/562887951.db2.gz RFWGEJBYJLAVFJ-KDCZBXDYSA-N 1 0 602.860 6.876 1 0 KKAFRO O=C(NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000299839269 562888120 /nfs/dbraw/zinc/88/81/20/562888120.db2.gz XKKFXCKMPXLPKK-UHFFFAOYSA-N 1 0 567.737 8.212 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)cc1F ZINC000299839486 562888230 /nfs/dbraw/zinc/88/82/30/562888230.db2.gz YGRLBDZCAHOYME-UHFFFAOYSA-N 1 0 700.640 7.560 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc3c4ccccc4[nH]c32)cc1 ZINC000299839907 562888373 /nfs/dbraw/zinc/88/83/73/562888373.db2.gz ZXEXKQSBZMYPAQ-UHFFFAOYSA-N 1 0 597.763 8.221 1 0 KKAFRO Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCC[NH2+]C2)n1 ZINC000299840113 562888441 /nfs/dbraw/zinc/88/84/41/562888441.db2.gz UMVDHPFXGXTJAT-NRFANRHFSA-N 1 0 542.647 6.576 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)[C@H]2Cc1cccnc1 ZINC000299847360 562889888 /nfs/dbraw/zinc/88/98/88/562889888.db2.gz OMXFBWUCMLOHPQ-CCCMKOCCSA-N 1 0 533.738 5.106 1 0 KKAFRO CCOc1ccc(-c2nc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299852473 562890929 /nfs/dbraw/zinc/89/09/29/562890929.db2.gz SODAHDFREADLLV-QFIPXVFZSA-N 1 0 533.650 5.410 1 0 KKAFRO COc1cc2oc(-c3cccc(OCC(=O)NCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3)cc(=O)c2c(OC)c1OC ZINC000299854728 562891456 /nfs/dbraw/zinc/89/14/56/562891456.db2.gz AIDUIQUGINXQDF-UHFFFAOYSA-N 1 0 658.151 6.563 1 0 KKAFRO COc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)c(=O)n2ccccc12 ZINC000299855324 562891598 /nfs/dbraw/zinc/89/15/98/562891598.db2.gz DMJNCISKFKRKPH-UHFFFAOYSA-N 1 0 538.623 5.327 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299855233 562891611 /nfs/dbraw/zinc/89/16/11/562891611.db2.gz ATFSKIZVJOMGAR-XIFFEERXSA-N 1 0 529.725 6.617 1 0 KKAFRO Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1NC(=O)[C@@H]([NH3+])CCc1ccc(OCc2ccccc2)cc1 ZINC000299860219 562892887 /nfs/dbraw/zinc/89/28/87/562892887.db2.gz IUVPNCMZJKEEOP-VQIIKMDRSA-N 1 0 695.820 6.312 1 0 KKAFRO O=C(NC[C@H]1CN(c2ccc(-c3nc(C[NH+]4CCCCC4)cs3)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000299861384 562893298 /nfs/dbraw/zinc/89/32/98/562893298.db2.gz LALQTQRHCMWBAB-IBGZPJMESA-N 1 0 517.076 5.266 1 0 KKAFRO O=C(CCCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000299862898 562893683 /nfs/dbraw/zinc/89/36/83/562893683.db2.gz KHBMIQRFIMHKLD-HKBQPEDESA-N 1 0 530.757 5.430 1 0 KKAFRO CC(C)OC(=O)c1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000299863099 562893784 /nfs/dbraw/zinc/89/37/84/562893784.db2.gz KPLFUEGIOGZWKT-UHFFFAOYSA-N 1 0 526.568 5.416 1 0 KKAFRO C[NH+](C)CCC1CCN(C(=O)c2cccc(N3c4ccccc4[C@]4(C[C@H]4c4ccc(Cl)cc4)C3=O)c2)CC1 ZINC000299863640 562893861 /nfs/dbraw/zinc/89/38/61/562893861.db2.gz LHAICUAARRZQFU-IUDBTDONSA-N 1 0 528.096 6.248 1 0 KKAFRO CCOC(=O)[C@H]1CCCC[C@H]1[N@H+](C)CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000299863704 562893934 /nfs/dbraw/zinc/89/39/34/562893934.db2.gz LKFZQQPVUYHFIA-XZOQPEGZSA-N 1 0 531.537 6.884 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864119 562894019 /nfs/dbraw/zinc/89/40/19/562894019.db2.gz LZNTUKFMGLSYSB-SVBGJNGRSA-N 1 0 559.710 6.182 1 0 KKAFRO CC1CC[NH+](Cc2csc(-c3ccc(N4C[C@H](CNC(=O)c5ccc(Cl)s5)OC4=O)cc3)n2)CC1 ZINC000299864270 562894088 /nfs/dbraw/zinc/89/40/88/562894088.db2.gz RDHARPPAFGBZLS-FQEVSTJZSA-N 1 0 531.103 5.512 1 0 KKAFRO C[NH+](C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864791 562894169 /nfs/dbraw/zinc/89/41/69/562894169.db2.gz MVEOKWWWGIPPQA-AXMAENODSA-N 1 0 545.683 5.792 1 0 KKAFRO O=C1NC(=O)N(C2CC[NH+](CC34CC5CC(CC(C5)C3)C4)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000299864954 562894257 /nfs/dbraw/zinc/89/42/57/562894257.db2.gz SHGPBMGKPZQXEH-VQUWRICTSA-N 1 0 628.795 5.146 1 0 KKAFRO COc1cc2c(cc1Br)[C@@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299865956 562894572 /nfs/dbraw/zinc/89/45/72/562894572.db2.gz UXFGCCXECAOESJ-APCORVCFSA-N 1 0 593.528 7.394 1 0 KKAFRO CCCCOC(=O)c1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000299867867 562894954 /nfs/dbraw/zinc/89/49/54/562894954.db2.gz QPKXNVVTKFCAMU-UHFFFAOYSA-N 1 0 540.595 5.808 1 0 KKAFRO Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CC[NH+](CC4CCCCCCC4)CC3)C2=O)c1 ZINC000299868171 562895056 /nfs/dbraw/zinc/89/50/56/562895056.db2.gz RBTSZBUESSRYSB-GDLZYMKVSA-N 1 0 553.788 6.089 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000377811626 562896011 /nfs/dbraw/zinc/89/60/11/562896011.db2.gz NHBFDSAAENLDDM-VCFLKGNJSA-N 1 0 570.605 6.705 1 0 KKAFRO CCOC(=O)CCCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087488 562897167 /nfs/dbraw/zinc/89/71/67/562897167.db2.gz FOFIZPPIHKXHNV-JGCGQSQUSA-N 1 0 601.788 6.088 1 0 KKAFRO CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4ccnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089917 562897484 /nfs/dbraw/zinc/89/74/84/562897484.db2.gz MVRJDNOPXYKDMF-UHFFFAOYSA-N 1 0 631.173 7.343 1 0 KKAFRO CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)nncc4Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)cc2)CC1 ZINC000473093460 562897786 /nfs/dbraw/zinc/89/77/86/562897786.db2.gz UGLSJWMQCWPHDM-UHFFFAOYSA-N 1 0 632.161 6.738 1 0 KKAFRO Oc1ccc(C[C@H]2CN3C(=CC4=[NH+]C[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1 ZINC000473107473 562898357 /nfs/dbraw/zinc/89/83/57/562898357.db2.gz JERHAMYESMKTSI-IMKBVMFZSA-N 1 0 568.765 5.955 1 0 KKAFRO COc1cc([C@@H]2[C@H]3CCCN3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@]23N=C(c2ccccc2)OC3=O)cc(OC)c1OC ZINC000473107604 562898363 /nfs/dbraw/zinc/89/83/63/562898363.db2.gz JMNAHOMPIDECCB-GJYLGELKSA-N 1 0 629.713 5.459 1 0 KKAFRO CC[N@H+](CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473111418 562898592 /nfs/dbraw/zinc/89/85/92/562898592.db2.gz BAAFVMSZJXOGGZ-UHFFFAOYSA-N 1 0 575.702 6.956 1 0 KKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]CCCCCCCCCCO)cc1)c1ccccc1 ZINC000473123196 562899529 /nfs/dbraw/zinc/89/95/29/562899529.db2.gz LBCAKVFMMKQNKX-YHZPTAEISA-N 1 0 515.738 7.843 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000473133741 562900444 /nfs/dbraw/zinc/90/04/44/562900444.db2.gz CVVXTANPPIMNTP-KTLUODIZSA-N 1 0 522.085 5.394 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccccc3)cc1)CC2 ZINC000473134077 562900474 /nfs/dbraw/zinc/90/04/74/562900474.db2.gz BOAVDYZAPQBOES-SAPNQHFASA-N 1 0 561.682 6.209 1 0 KKAFRO [NH3+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1O ZINC000473134794 562900536 /nfs/dbraw/zinc/90/05/36/562900536.db2.gz HXBYBGQYXYNWTQ-UHFFFAOYSA-N 1 0 548.039 5.378 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473146927 562901394 /nfs/dbraw/zinc/90/13/94/562901394.db2.gz DUACEZNSYNKOQI-HKBQPEDESA-N 1 0 536.116 5.912 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cnn(C)c2)ccc1OC(F)(F)F ZINC000473149203 562901490 /nfs/dbraw/zinc/90/14/90/562901490.db2.gz JCCYQLZMSWSMHH-UHFFFAOYSA-N 1 0 577.604 5.914 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473149929 562901537 /nfs/dbraw/zinc/90/15/37/562901537.db2.gz KSTZJULPHDWERN-LJAQVGFWSA-N 1 0 508.062 5.132 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cn[nH]c2)ccc1OC(F)(F)F ZINC000473151847 562901715 /nfs/dbraw/zinc/90/17/15/562901715.db2.gz RPIKECODZGXBSC-UHFFFAOYSA-N 1 0 563.577 5.904 1 0 KKAFRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3cncnc3)ccc2OC(F)(F)F)c1 ZINC000473152461 562901835 /nfs/dbraw/zinc/90/18/35/562901835.db2.gz UMQLRCLTJKNIHD-UHFFFAOYSA-N 1 0 547.534 5.193 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)ccc1OC(F)(F)F ZINC000473152918 562901880 /nfs/dbraw/zinc/90/18/80/562901880.db2.gz XHKWYWDUUNYFJG-UHFFFAOYSA-N 1 0 556.541 6.105 1 0 KKAFRO C[C@@](NCc1ccc2occc2c1)(c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473172849 562903342 /nfs/dbraw/zinc/90/33/42/562903342.db2.gz ZDDOCTLDSWCEMH-DJUQAAIZSA-N 1 0 636.668 5.400 1 0 KKAFRO C[C@@](NCc1ccc2occc2c1)(c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473172850 562903347 /nfs/dbraw/zinc/90/33/47/562903347.db2.gz ZDDOCTLDSWCEMH-JHOBJCJYSA-N 1 0 636.668 5.400 1 0 KKAFRO [NH2+]=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233224 562904444 /nfs/dbraw/zinc/90/44/44/562904444.db2.gz MWPFNYBDOHKZHA-QVWWMRLHSA-N 1 0 585.793 6.810 1 0 KKAFRO CC1CC[NH+](CCCOc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)NC3CCCCC3)cc2)CC1 ZINC000473244570 562904886 /nfs/dbraw/zinc/90/48/86/562904886.db2.gz NTYYMMATFKHAFI-UHFFFAOYSA-N 1 0 516.690 6.328 1 0 KKAFRO COc1ccc(-n2c(C)c(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)n(C)c2=O)cc1 ZINC000474607140 562905424 /nfs/dbraw/zinc/90/54/24/562905424.db2.gz JQLIANVZZPMVDC-UHFFFAOYSA-N 1 0 684.769 5.250 1 0 KKAFRO Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474607811 562905438 /nfs/dbraw/zinc/90/54/38/562905438.db2.gz KDHWFWPMHSIPPF-UHFFFAOYSA-N 1 0 626.661 6.152 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCc4ccncc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609847 562905693 /nfs/dbraw/zinc/90/56/93/562905693.db2.gz WDZLCEHORPBZIM-PMERELPUSA-N 1 0 536.676 5.169 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000474609870 562905730 /nfs/dbraw/zinc/90/57/30/562905730.db2.gz WLABUXFFCJTSTL-UHFFFAOYSA-N 1 0 738.739 6.140 1 0 KKAFRO NC(=[NH2+])NCCC[C@@H](C(N)=O)n1c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2nc1-c1cccc(Oc2ccccc2)c1 ZINC000653670306 562906164 /nfs/dbraw/zinc/90/61/64/562906164.db2.gz GSNUNSDCZPXTDL-LJAQVGFWSA-N 1 0 643.670 5.734 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1C ZINC000653686441 562906512 /nfs/dbraw/zinc/90/65/12/562906512.db2.gz AJQNFGXKEGLPAI-DIBXZPPDSA-N 1 0 533.676 5.925 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000653708694 562908002 /nfs/dbraw/zinc/90/80/02/562908002.db2.gz SYBFJVJKOITZFD-UHFFFAOYSA-N 1 0 561.086 5.304 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653717448 562908587 /nfs/dbraw/zinc/90/85/87/562908587.db2.gz HSMHBKPGNYWETC-UHFFFAOYSA-N 1 0 736.244 7.709 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000653721962 562908776 /nfs/dbraw/zinc/90/87/76/562908776.db2.gz SUBPIGJEMSEJIK-UHFFFAOYSA-N 1 0 725.192 8.779 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3OC(F)(F)F)c2=O)cc1F ZINC000653723251 562908850 /nfs/dbraw/zinc/90/88/50/562908850.db2.gz GNLLBXVDQDDMCA-UHFFFAOYSA-N 1 0 777.171 9.148 1 0 KKAFRO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc1)nc1ccccc12 ZINC000653737618 562909806 /nfs/dbraw/zinc/90/98/06/562909806.db2.gz KVXOCPCNJJREEC-UHFFFAOYSA-N 1 0 621.741 7.891 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC000653745167 562910314 /nfs/dbraw/zinc/91/03/14/562910314.db2.gz XIXFJPIIYYRJSO-MEMLXQNLSA-N 1 0 616.232 6.407 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3OC(F)(F)F)c2=O)cc1F ZINC000653745749 562910350 /nfs/dbraw/zinc/91/03/50/562910350.db2.gz QMXUTQVVBZIWRD-UHFFFAOYSA-N 1 0 805.225 9.784 1 0 KKAFRO CC[C@@H](C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(C3CC[NH2+]CC3)cc2OC(C)C)ncc1Cl ZINC000653745170 562910384 /nfs/dbraw/zinc/91/03/84/562910384.db2.gz XSVGIEWPPRGQHN-GOSISDBHSA-N 1 0 576.167 5.486 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccc(F)cc4)cc32)c1C ZINC000653756222 562910977 /nfs/dbraw/zinc/91/09/77/562910977.db2.gz PAPTXSGVKBRHIZ-BWAHOGKJSA-N 1 0 540.643 5.188 1 0 KKAFRO CNC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653760889 562911314 /nfs/dbraw/zinc/91/13/14/562911314.db2.gz JJXSRKVPWYBNSN-UHFFFAOYSA-N 1 0 556.592 5.404 1 0 KKAFRO CO[C@@H]1CC[N@H+](Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762403 562911468 /nfs/dbraw/zinc/91/14/68/562911468.db2.gz WYUKVGVZYSCCDJ-AREMUKBSSA-N 1 0 559.066 5.584 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5Cl)c4)cc32)c1C ZINC000653763575 562911484 /nfs/dbraw/zinc/91/14/84/562911484.db2.gz UWGWMNXRXNGQIV-JLPGSUDCSA-N 1 0 557.098 5.702 1 0 KKAFRO Cc1cnc(C)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769237 562911776 /nfs/dbraw/zinc/91/17/76/562911776.db2.gz RWGHZEYYQZXIIY-UHFFFAOYSA-N 1 0 508.622 5.614 1 0 KKAFRO COc1cc(-c2cc(=O)c3ccc(OCCCCCCCC[NH+]4CCCC4)cc3o2)cc(OC)c1OC ZINC000653779534 562912052 /nfs/dbraw/zinc/91/20/52/562912052.db2.gz NSXSGNRPYBSNQV-UHFFFAOYSA-N 1 0 509.643 6.301 1 0 KKAFRO CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653779636 562912058 /nfs/dbraw/zinc/91/20/58/562912058.db2.gz FSFQTGYALNLWQI-UHFFFAOYSA-N 1 0 549.557 5.424 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653783762 562912253 /nfs/dbraw/zinc/91/22/53/562912253.db2.gz NBAOYGOFUXATFS-WDYNHAJCSA-N 1 0 530.490 5.014 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653785877 562912379 /nfs/dbraw/zinc/91/23/79/562912379.db2.gz HJZOPYYUOLSQPF-HEVIKAOCSA-N 1 0 515.681 5.713 1 0 KKAFRO C[C@]12CCN(C(=O)C[n+]3cn(Cc4ccccc4Br)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792005 562912746 /nfs/dbraw/zinc/91/27/46/562912746.db2.gz YIIWPJAVKUDCTB-SZAHLOSFSA-N 1 0 592.561 6.276 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653794001 562912859 /nfs/dbraw/zinc/91/28/59/562912859.db2.gz ZIDUZDKVGUJJJO-VSJLXWSYSA-N 1 0 527.692 5.822 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccc(Br)cc1 ZINC000653794479 562912899 /nfs/dbraw/zinc/91/28/99/562912899.db2.gz CCJOFWVVEQHIEV-XDSPJLLDSA-N 1 0 620.615 6.893 1 0 KKAFRO COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sc(C[NH2+][C@@H](C)c4ccccc4)cc32)cc1 ZINC000653795333 562913020 /nfs/dbraw/zinc/91/30/20/562913020.db2.gz FIWGCKWZHPCZCZ-SANMLTNESA-N 1 0 578.782 6.569 1 0 KKAFRO CCn1c(C(=O)NCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000653799720 562913382 /nfs/dbraw/zinc/91/33/82/562913382.db2.gz ZMUCFXCNCANRBX-NDEPHWFRSA-N 1 0 513.767 5.780 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(NCC[NH+](C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822684 562914190 /nfs/dbraw/zinc/91/41/90/562914190.db2.gz QTUYPIHERHUIJG-AWEZNQCLSA-N 1 0 510.429 5.922 1 0 KKAFRO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(C5CC[NH+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823838 562914305 /nfs/dbraw/zinc/91/43/05/562914305.db2.gz NUMZOUWDKZZHAY-OAHLLOKOSA-N 1 0 521.452 6.757 1 0 KKAFRO CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C1=O ZINC000653838799 562914829 /nfs/dbraw/zinc/91/48/29/562914829.db2.gz OYBWJNOXCFNTBV-AREMUKBSSA-N 1 0 509.610 5.469 1 0 KKAFRO CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(cc[nH+]c3N)c2)C1=O ZINC000653838800 562914834 /nfs/dbraw/zinc/91/48/34/562914834.db2.gz OYBWJNOXCFNTBV-SANMLTNESA-N 1 0 509.610 5.469 1 0 KKAFRO Cc1cc(-c2cc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cccc(F)c1 ZINC000653840731 562914852 /nfs/dbraw/zinc/91/48/52/562914852.db2.gz XHSBGOCHLWEZIE-UHFFFAOYSA-N 1 0 541.631 5.168 1 0 KKAFRO CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[n+]4ccccc4)cc3)c3ccccc3c2=O)cc1 ZINC000653845447 562915190 /nfs/dbraw/zinc/91/51/90/562915190.db2.gz INYPWSSBDCVHJA-UHFFFAOYSA-N 1 0 519.669 6.046 1 0 KKAFRO C[C@@H]1CN(S(=O)(=O)c2cccc3c2cccc3N(C)C)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000653849928 562915439 /nfs/dbraw/zinc/91/54/39/562915439.db2.gz XLNNIDPLVLWFQZ-RRCLRXROSA-N 1 0 649.942 6.332 1 0 KKAFRO CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[NH+]4CCCCC4)cc3)c3ccccc3c2=O)cc1 ZINC000653850132 562915489 /nfs/dbraw/zinc/91/54/89/562915489.db2.gz ALJCEZUISCFISE-UHFFFAOYSA-N 1 0 524.709 6.544 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(I)cc1)Oc1ccc(Cl)cc1-2 ZINC000653861654 562916000 /nfs/dbraw/zinc/91/60/00/562916000.db2.gz GEVXTHOSBKJZQI-KRWDZBQOSA-N 1 0 514.861 6.028 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@H]4CCC[N@@H+]4C)c(F)c3)c2cc1OC ZINC000653864041 562916118 /nfs/dbraw/zinc/91/61/18/562916118.db2.gz KPUCSRWYMCPNNM-RBBKRZOGSA-N 1 0 592.115 6.650 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@H]4CCC[N@@H+]4C)c(F)c3)c2cc1OC ZINC000653864039 562916130 /nfs/dbraw/zinc/91/61/30/562916130.db2.gz KPUCSRWYMCPNNM-IFMALSPDSA-N 1 0 592.115 6.650 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3F)nn2)cc1F ZINC000653887126 562917040 /nfs/dbraw/zinc/91/70/40/562917040.db2.gz OMEDYWGJNXMHNR-UHFFFAOYSA-N 1 0 628.680 6.648 1 0 KKAFRO CC(C)(C)c1ccc(-c2cn([C@@H](C[NH+]3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887966 562917075 /nfs/dbraw/zinc/91/70/75/562917075.db2.gz FDGHNDMFQXREFC-MHZLTWQESA-N 1 0 512.748 7.249 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653894861 562917319 /nfs/dbraw/zinc/91/73/19/562917319.db2.gz WTPUBOHLRRIQJB-UHFFFAOYSA-N 1 0 617.081 6.526 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653899384 562917500 /nfs/dbraw/zinc/91/75/00/562917500.db2.gz MVAYPHGEGDDSJN-UHFFFAOYSA-N 1 0 631.108 6.916 1 0 KKAFRO Cc1c2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCC[NH+](C)C ZINC000653905757 562917594 /nfs/dbraw/zinc/91/75/94/562917594.db2.gz OCFDTBPNDHJIIA-UHFFFAOYSA-N 1 0 526.058 5.082 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]([NH3+])CN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc23)[nH]1)C(C)C ZINC000653916427 562917910 /nfs/dbraw/zinc/91/79/10/562917910.db2.gz XQCMJBLAMHLRKJ-MLSBLXOHSA-N 1 0 777.927 5.799 1 0 KKAFRO COc1ccc2c(OC)c1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085489327 565124871 /nfs/dbraw/zinc/12/48/71/565124871.db2.gz VQYWPFJBVAHLLO-LJAQVGFWSA-N 1 0 636.745 6.987 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)N(C2)CC3 ZINC000085541007 565139162 /nfs/dbraw/zinc/13/91/62/565139162.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 1 0 652.788 7.519 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)[NH2+]6)c(c2-5)[C@@H](O)N4)cc(OCCCO)c1O ZINC000085567446 565142271 /nfs/dbraw/zinc/14/22/71/565142271.db2.gz UEMWGBAMCPCZBU-GULAYAOMSA-N 1 0 688.818 5.599 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@@H](C)[NH2+]6)c(c2-5)[C@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567468 565142302 /nfs/dbraw/zinc/14/23/02/565142302.db2.gz CGLSSYNTFVUCBI-YYBMXEJISA-N 1 0 696.841 6.936 1 0 biogenic,in-vitro KKAFRO CC[NH2+][C@]1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCC[C@H](CCC(C)C)C1 ZINC000085567489 565142859 /nfs/dbraw/zinc/14/28/59/565142859.db2.gz FADWQAYVOGEHIV-LOZUDNTASA-N 1 0 688.862 7.121 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]Cc1cccc2ccc(C[C@@H](Cc3ccc(O)c(OC)c3)C(=O)C[C@@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3)cc21 ZINC000085632360 565166573 /nfs/dbraw/zinc/16/65/73/565166573.db2.gz JAXXZEZANJBBNX-XWCRKRNLSA-N 1 0 663.835 6.705 1 0 biogenic,in-vitro KKAFRO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098960 565172176 /nfs/dbraw/zinc/17/21/76/565172176.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 1 0 668.787 6.457 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1C[C@H](O)CCc1cccc(O)c1 ZINC000150348584 565201978 /nfs/dbraw/zinc/20/19/78/565201978.db2.gz HXABYAXFPBUHJD-MEXZRVEGSA-N 1 0 649.788 6.401 1 0 biogenic,in-vitro KKAFRO COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2C2=C1[C@H]1C(C)=CC(C)(C)[NH2+][C@@H]1C=C2 ZINC000028823362 581097604 /nfs/dbraw/zinc/09/76/04/581097604.db2.gz CZOFJQFQALBETE-JYIICFBWSA-N 1 0 505.586 5.730 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823338 581100679 /nfs/dbraw/zinc/10/06/79/581100679.db2.gz SUUZABOKTWBKLI-NQSHAFDCSA-N 1 0 542.651 6.236 1 0 KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCCCc1cccc(c1)C[C@@H](C4)[C@H]1[C@H](C)CC=C[C@@H]51 ZINC000085531903 291920510 /nfs/dbraw/zinc/92/05/10/291920510.db2.gz IAZKADUKMVPISI-YZMOPDACSA-N 1 0 657.895 8.695 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](CO)CCO)OC2=O)Cc1ccccc1 ZINC000085571316 291945584 /nfs/dbraw/zinc/94/55/84/291945584.db2.gz JHNLOCBKYIXSIC-CMZHKAMCSA-N 1 0 741.925 7.796 1 0 biogenic,in-vitro KKAFRO C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568374 291951981 /nfs/dbraw/zinc/95/19/81/291951981.db2.gz HZRSSRAVGSSYTB-OVTDWZCSSA-N 1 0 665.787 5.966 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1cccc(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](C[C@@H]2C=Cc3c(O)cccc3CC2)c2cc[nH]c2C1 ZINC000085626889 291979374 /nfs/dbraw/zinc/97/93/74/291979374.db2.gz ALNIIMNLRVXRFV-DTNZHFBTSA-N 1 0 705.855 7.865 1 0 biogenic,in-vitro KKAFRO [NH3+]CCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@@]21C(C(=O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21)OC3=O ZINC000150359668 291991065 /nfs/dbraw/zinc/99/10/65/291991065.db2.gz LHWYNCRQYKGSAB-JFWBRHBUSA-N 1 0 651.888 8.912 1 0 biogenic,in-vitro KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000001894669 561680127 /nfs/dbraw/zinc/68/01/27/561680127.db2.gz QMOBOOMEXBVLQJ-XJRVHGQPSA-N 1 0 576.829 7.994 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccncc2)c1 ZINC000001908721 561680131 /nfs/dbraw/zinc/68/01/31/561680131.db2.gz GGVFLXSCFPVLMS-WPCLDFDBSA-N 1 0 562.802 7.461 1 0 in-vitro KKAFRO C[NH+](C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000001486477 561675996 /nfs/dbraw/zinc/67/59/96/561675996.db2.gz YUZYROBUIAUGNA-UHFFFAOYSA-N 1 0 524.690 6.086 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)on1 ZINC000001547762 561677279 /nfs/dbraw/zinc/67/72/79/561677279.db2.gz HDDLHVLGBJTJSB-AWNIVKPZSA-N 1 0 501.646 5.968 1 0 KKAFRO COc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000001546522 561677305 /nfs/dbraw/zinc/67/73/05/561677305.db2.gz GBPBWQGPBSYBOV-QHCPKHFHSA-N 1 0 518.466 5.839 1 0 KKAFRO CCC1=C(C(=O)OCC[NH+](C)C)[C@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546525 561677315 /nfs/dbraw/zinc/67/73/15/561677315.db2.gz VNUCNKCATYSOBV-DEOSSOPVSA-N 1 0 532.493 6.229 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCCO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001553093 561677535 /nfs/dbraw/zinc/67/75/35/561677535.db2.gz WCUJHRSBAKWJAP-OYKBBOKPSA-N 1 0 582.629 7.427 1 0 KKAFRO COc1ccc(C[NH2+][C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)c(OC)c1OC ZINC000001631528 561677930 /nfs/dbraw/zinc/67/79/30/561677930.db2.gz IBYUPDOODPVKHJ-NRFANRHFSA-N 1 0 553.677 5.264 1 0 KKAFRO O=C(NCC[NH2+]CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001857010 561679651 /nfs/dbraw/zinc/67/96/51/561679651.db2.gz KMMHCDBZYFXNIU-UHFFFAOYSA-N 1 0 565.677 5.866 1 0 KKAFRO FC(F)(F)c1cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003780975 561682316 /nfs/dbraw/zinc/68/23/16/561682316.db2.gz NNQQINUYFDRYPI-SVBPBHIXSA-N 1 0 519.529 7.536 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000003819033 561683151 /nfs/dbraw/zinc/68/31/51/561683151.db2.gz VQNOKAIGVHODDW-UHFFFAOYSA-N 1 0 511.629 6.444 3 0 KKAFRO CC(C)C[NH+](CCC[C@H](NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc21)CC(C)C ZINC000003915833 561684882 /nfs/dbraw/zinc/68/48/82/561684882.db2.gz HONDONWIFJXYKS-GVYVVWIYSA-N 1 0 610.847 6.223 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 ZINC000003919976 561685522 /nfs/dbraw/zinc/68/55/22/561685522.db2.gz DWNSMKMERLQDIL-LJAQVGFWSA-N 1 0 560.720 5.526 1 0 KKAFRO CCCCCc1ccc(CN(C(=[NH+]c2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929643 561687140 /nfs/dbraw/zinc/68/71/40/561687140.db2.gz INJFMUAVDSEOMZ-RUZDIDTESA-N 1 0 563.783 7.416 1 0 KKAFRO C[C@H](NC(=O)[C@](Cc1c[nH]c2ccccc12)(C[NH+](C)C)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000003936113 561688471 /nfs/dbraw/zinc/68/84/71/561688471.db2.gz WZOWWAMXPMFHTB-ICACTRECSA-N 1 0 538.648 5.561 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000003965115 561691529 /nfs/dbraw/zinc/69/15/29/561691529.db2.gz NCKIFINBXITCQE-OGICNVKRSA-N 1 0 530.668 5.608 1 0 KKAFRO CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(C2CCCC2)c1 ZINC000003987498 561693022 /nfs/dbraw/zinc/69/30/22/561693022.db2.gz HGSCTPUCDDAAQZ-OIDHKYIRSA-N 1 0 679.805 6.953 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000003992284 561693581 /nfs/dbraw/zinc/69/35/81/561693581.db2.gz MRFZKAWUCKFKJV-OCBJUFRSSA-N 1 0 607.239 5.343 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000004387270 561694747 /nfs/dbraw/zinc/69/47/47/561694747.db2.gz WJXHLUCVCZEBHY-UHFFFAOYSA-N 1 0 658.792 6.037 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000006511224 561702771 /nfs/dbraw/zinc/70/27/71/561702771.db2.gz CFBAPINUWMHRRH-WJOKGBTCSA-N 1 0 528.741 6.354 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000006511219 561702779 /nfs/dbraw/zinc/70/27/79/561702779.db2.gz CZYZPYHWBJNCKH-NDEPHWFRSA-N 1 0 520.743 6.108 1 0 KKAFRO COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716052 561702957 /nfs/dbraw/zinc/70/29/57/561702957.db2.gz NRUKDYLILMOFJD-IBGZPJMESA-N 1 0 561.038 7.056 1 0 KKAFRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C[NH+]1CCCC1)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC000006718447 561703061 /nfs/dbraw/zinc/70/30/61/561703061.db2.gz KWOOBZQKQHYUGT-XMMPIXPASA-N 1 0 520.592 5.264 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@]4(O)[C@H](C2)[N@H+](CC2CC2)CC[C@@]314 ZINC000008036013 561704959 /nfs/dbraw/zinc/70/49/59/561704959.db2.gz PSPANKCQVWSVHM-PVVDWXEZSA-N 1 0 504.630 5.094 1 0 KKAFRO CCc1cc(I)c2c(c1)[C@@H]([NH2+]CCCNc1cc(=O)c3ccccc3[nH]1)CCN2 ZINC000009132639 561708917 /nfs/dbraw/zinc/70/89/17/561708917.db2.gz HXYAFIKGAHUOHV-IBGZPJMESA-N 1 0 502.400 5.056 1 0 KKAFRO C[C@H](Nc1nccc(-c2cc(N3CC[NH+](C)CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439161 561712271 /nfs/dbraw/zinc/71/22/71/561712271.db2.gz MBAYOYOHXJVBHG-IBGZPJMESA-N 1 0 519.575 5.544 1 0 KKAFRO CCOC(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440434 561712579 /nfs/dbraw/zinc/71/25/79/561712579.db2.gz WHAKVGBHEYJGKJ-UHFFFAOYSA-N 1 0 530.734 6.054 1 0 KKAFRO COc1ccccc1CN1CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448546 561713348 /nfs/dbraw/zinc/71/33/48/561713348.db2.gz ROIJHJVHNPMWIT-UHFFFAOYSA-N 1 0 515.629 5.138 1 0 KKAFRO CC(C)NC(=O)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000013475715 561714663 /nfs/dbraw/zinc/71/46/63/561714663.db2.gz BKEFXMVWRHAVTF-UHFFFAOYSA-N 1 0 534.144 6.098 1 0 KKAFRO O=C1NCc2c(-c3ccccc3Cl)cc(NC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487121 561715171 /nfs/dbraw/zinc/71/51/71/561715171.db2.gz KYTWYELKTBDZFP-UHFFFAOYSA-N 1 0 501.845 6.839 1 0 KKAFRO Cn1cc(C2=C(c3cn(C4CC[NH+](Cc5ccccc5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000013489985 561715992 /nfs/dbraw/zinc/71/59/92/561715992.db2.gz IKOMOLGHHLGWPZ-UHFFFAOYSA-N 1 0 514.629 5.537 1 0 KKAFRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000013532198 561717606 /nfs/dbraw/zinc/71/76/06/561717606.db2.gz MKNXUJQNACYJMY-AREMUKBSSA-N 1 0 525.674 6.719 1 0 KKAFRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2SC(C)(C)C)cc1 ZINC000013534872 561717861 /nfs/dbraw/zinc/71/78/61/561717861.db2.gz JDHQZKOERNWTFB-AREMUKBSSA-N 1 0 511.732 5.294 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534576 561717910 /nfs/dbraw/zinc/71/79/10/561717910.db2.gz KBIKENJDJYPBNS-DEOSSOPVSA-N 1 0 511.493 6.223 1 0 KKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000013560295 561719719 /nfs/dbraw/zinc/71/97/19/561719719.db2.gz UWQOQINSXNYULS-UHFFFAOYSA-N 1 0 522.520 7.291 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](Cc1ccc(C)o1)C(=O)NC1CCCCC1 ZINC000013581714 561720199 /nfs/dbraw/zinc/72/01/99/561720199.db2.gz IRQZEYBHGZCGEZ-SSEXGKCCSA-N 1 0 532.729 5.817 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013586585 561720528 /nfs/dbraw/zinc/72/05/28/561720528.db2.gz YBCPRAGWOJKBRH-OUDZLNJNSA-N 1 0 514.710 5.352 1 0 KKAFRO COc1ccc(C(=O)NCC2CC[NH+](C3CCCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643451 561722418 /nfs/dbraw/zinc/72/24/18/561722418.db2.gz LHUSVTGKUGHREB-UHFFFAOYSA-N 1 0 519.513 6.398 1 0 KKAFRO CCNC(=O)Nc1nc2cc(NCCCC[NH+](CC)CC)ncc2cc1-c1c(Cl)cccc1Cl ZINC000013647861 561722724 /nfs/dbraw/zinc/72/27/24/561722724.db2.gz QVJHVQPCRIXTMX-UHFFFAOYSA-N 1 0 503.478 6.279 1 0 KKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCC([C@@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000013651775 561723155 /nfs/dbraw/zinc/72/31/55/561723155.db2.gz SIWVJCRPVXMIBY-WJOKGBTCSA-N 1 0 507.118 6.607 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000013661252 561723452 /nfs/dbraw/zinc/72/34/52/561723452.db2.gz MJJIHQACZGUMQB-ATIYNZHBSA-N 1 0 521.698 6.805 3 0 KKAFRO COc1ccc([C@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661258 561723467 /nfs/dbraw/zinc/72/34/67/561723467.db2.gz BYWUJRKZXJZLPA-VWLOTQADSA-N 1 0 513.634 6.494 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000013661230 561723498 /nfs/dbraw/zinc/72/34/98/561723498.db2.gz UJMMJZCCXLJDEZ-RUZDIDTESA-N 1 0 506.687 6.227 3 0 KKAFRO COc1ccc([C@@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661255 561723538 /nfs/dbraw/zinc/72/35/38/561723538.db2.gz BYWUJRKZXJZLPA-RUZDIDTESA-N 1 0 513.634 6.494 3 0 KKAFRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674185 561723836 /nfs/dbraw/zinc/72/38/36/561723836.db2.gz KEZJSZDVAAWYLU-HXUWFJFHSA-N 1 0 508.403 6.114 1 0 KKAFRO COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)c2c1 ZINC000013679422 561724532 /nfs/dbraw/zinc/72/45/32/561724532.db2.gz MQAYMGGTPIYIHD-UHFFFAOYSA-N 1 0 519.089 6.588 1 0 KKAFRO COc1ccccc1Oc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1 ZINC000013686223 561724739 /nfs/dbraw/zinc/72/47/39/561724739.db2.gz HEILLZBUQBOKMO-UHFFFAOYSA-N 1 0 533.112 7.124 1 0 KKAFRO O=C(OCC[NH+]1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1 ZINC000013737399 561725640 /nfs/dbraw/zinc/72/56/40/561725640.db2.gz HHWKRRPTCYPMFB-UHFFFAOYSA-N 1 0 503.424 5.526 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c1C(F)(F)F ZINC000013740057 561725944 /nfs/dbraw/zinc/72/59/44/561725944.db2.gz PJLQVCQPLCNSLZ-UHFFFAOYSA-N 1 0 519.515 5.495 1 0 KKAFRO Cc1cc(I)cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744528 561726565 /nfs/dbraw/zinc/72/65/65/561726565.db2.gz LLUKLOGVWWPZKG-VSGBNLITSA-N 1 0 523.458 6.411 1 0 KKAFRO COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c5ccc(C(F)(F)F)cc5sc4c3=O)C[C@@H]21 ZINC000013807868 561731619 /nfs/dbraw/zinc/73/16/19/561731619.db2.gz HNZVUWXVRHTZSM-IFXJQAMLSA-N 1 0 515.557 5.006 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000013812760 561731783 /nfs/dbraw/zinc/73/17/83/561731783.db2.gz ZKUIGFKRPUCRRC-UHFFFAOYSA-N 1 0 511.453 6.372 1 0 KKAFRO O=C([O-])c1cccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000013819408 561732469 /nfs/dbraw/zinc/73/24/69/561732469.db2.gz PECQGQFPDDXSPX-IOWSJCHKSA-N 1 0 518.742 5.830 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2cccc3ccccc32)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820054 561732618 /nfs/dbraw/zinc/73/26/18/561732618.db2.gz SBEDHCDTAPBZRV-JBGGTMNVSA-N 1 0 513.751 6.512 1 0 KKAFRO O=C(c1c(-c2ccc(O)cc2)sc2cc(O)c3ccccc3c21)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834300 561734085 /nfs/dbraw/zinc/73/40/85/561734085.db2.gz CHWJUHSQSHCNTN-UHFFFAOYSA-N 1 0 523.654 7.228 1 0 KKAFRO CCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834308 561734088 /nfs/dbraw/zinc/73/40/88/561734088.db2.gz JMSHBDSUSOGKTP-UHFFFAOYSA-N 1 0 513.703 7.712 1 0 KKAFRO NC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834323 561734175 /nfs/dbraw/zinc/73/41/75/561734175.db2.gz QRCRFTCFYITDSV-UHFFFAOYSA-N 1 0 500.620 5.469 1 0 KKAFRO CN(C[C@@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000013835142 561734345 /nfs/dbraw/zinc/73/43/45/561734345.db2.gz ZWWUXEYLYPLWLP-PMERELPUSA-N 1 0 539.720 5.697 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000013910996 561735597 /nfs/dbraw/zinc/73/55/97/561735597.db2.gz KZWXNCYMBCRBBK-UIOOFZCWSA-N 1 0 522.737 7.015 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC000013919672 561735740 /nfs/dbraw/zinc/73/57/40/561735740.db2.gz PAROAZXVAZZOGY-NZQKXSOJSA-N 1 0 522.533 6.570 1 0 KKAFRO COc1cc(CN(CC[C@@H]2CCCC[NH2+]2)C(=O)CCCc2ccccc2)ccc1OCc1ccccc1 ZINC000014175365 561737342 /nfs/dbraw/zinc/73/73/42/561737342.db2.gz FXRMCJGSSQXVOH-LJAQVGFWSA-N 1 0 500.683 6.158 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccnc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191778 561737592 /nfs/dbraw/zinc/73/75/92/561737592.db2.gz RTIVWDSFWBAUKZ-JGCGQSQUSA-N 1 0 563.573 7.248 1 0 KKAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(Br)cccc3Br)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000014944224 561742352 /nfs/dbraw/zinc/74/23/52/561742352.db2.gz CADIAVLAXLUJAC-UHFFFAOYSA-N 1 0 607.395 6.281 1 0 KKAFRO CC(=O)N(CCCCSc1c2ccccc2nc2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000014946289 561743463 /nfs/dbraw/zinc/74/34/63/561743463.db2.gz WMLGPNPGGGQPET-UHFFFAOYSA-N 1 0 566.815 7.764 1 0 KKAFRO NC(=[NH2+])c1cccc(-n2nc(-c3cccnc3)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)ccc43)cc2)c1 ZINC000014950719 561745762 /nfs/dbraw/zinc/74/57/62/561745762.db2.gz YKXILNHOJFGFJF-UHFFFAOYSA-N 1 0 532.995 5.463 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc(C[C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950842 561745764 /nfs/dbraw/zinc/74/57/64/561745764.db2.gz SLHUHWJCKCRBLN-HSZRJFAPSA-N 1 0 512.617 5.831 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCc3ccccc3)c2c1 ZINC000014951051 561745895 /nfs/dbraw/zinc/74/58/95/561745895.db2.gz BILPYABKAWIYLJ-INOCPDNRSA-N 1 0 538.717 5.503 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1 ZINC000014950886 561745906 /nfs/dbraw/zinc/74/59/06/561745906.db2.gz MDFMMWJAJRKSRK-MUUNZHRXSA-N 1 0 524.628 6.270 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@@H+]4CC[C@H](O)C4)cc3F)cc12 ZINC000014951164 561745989 /nfs/dbraw/zinc/74/59/89/561745989.db2.gz HQBRJIGJLJDFHY-IBGZPJMESA-N 1 0 580.542 5.240 1 0 KKAFRO CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(C)C)ccc3N(C)CCC[NH+](C)C)c2)n1 ZINC000014957315 561747923 /nfs/dbraw/zinc/74/79/23/561747923.db2.gz RPYXKMBWDGGRIV-UHFFFAOYSA-N 1 0 572.689 5.670 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1 ZINC000014957958 561748098 /nfs/dbraw/zinc/74/80/98/561748098.db2.gz YYFLDZZDOUDZQM-UHFFFAOYSA-N 1 0 510.641 7.049 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc(Cc4ccc(O)cc4)c(=O)[nH]c3-c3ccccc3)cc2)CC1 ZINC000014957917 561748106 /nfs/dbraw/zinc/74/81/06/561748106.db2.gz WUKJMTIZYFCXHS-UHFFFAOYSA-N 1 0 583.692 5.880 1 0 KKAFRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959701 561748188 /nfs/dbraw/zinc/74/81/88/561748188.db2.gz VGXIAQUUVIGDPS-UHFFFAOYSA-N 1 0 518.042 5.853 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000014961995 561748570 /nfs/dbraw/zinc/74/85/70/561748570.db2.gz BCYCHJAJECYNPU-UHFFFAOYSA-N 1 0 500.440 6.177 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[NH2+]C(C)C)c1Cl ZINC000014963031 561748823 /nfs/dbraw/zinc/74/88/23/561748823.db2.gz QOQVKFCBGUXLRM-UHFFFAOYSA-N 1 0 527.861 6.115 1 0 KKAFRO c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c32)cc1 ZINC000014965393 561749615 /nfs/dbraw/zinc/74/96/15/561749615.db2.gz QKKHXTGUTLRIAS-UHFFFAOYSA-N 1 0 518.661 7.076 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C(C)C)OC[C@@]45C)C[C@H]3C(=O)C[C@]2(C)[C@H]1[C@H](C)[NH+](C)C ZINC000014969929 561750957 /nfs/dbraw/zinc/75/09/57/561750957.db2.gz JDLHQHRFOFZXTF-KXGINKQYSA-N 1 0 526.762 5.696 1 0 KKAFRO CC(C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](OC(=O)C(C)(C)C)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969933 561750958 /nfs/dbraw/zinc/75/09/58/561750958.db2.gz BQTQETQQERDQEX-ZDVKWCFPSA-N 1 0 568.843 6.722 1 0 KKAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000014970518 561750974 /nfs/dbraw/zinc/75/09/74/561750974.db2.gz JEBWQRLWYAVSFG-SUYBVONHSA-N 1 0 562.718 5.001 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000014970583 561751090 /nfs/dbraw/zinc/75/10/90/561751090.db2.gz FRKGNEAURFFNKA-JGCGQSQUSA-N 1 0 571.729 5.474 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2ccc(O)cc2)cc1 ZINC000014970958 561751103 /nfs/dbraw/zinc/75/11/03/561751103.db2.gz LJLNVVPIWMIDOU-UHFFFAOYSA-N 1 0 510.438 5.747 1 0 KKAFRO CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527428 561755325 /nfs/dbraw/zinc/75/53/25/561755325.db2.gz VTQGVLJZPVITEX-ZBWWXOROSA-N 1 0 579.697 5.069 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577504 561756701 /nfs/dbraw/zinc/75/67/01/561756701.db2.gz XTCDAIJNJCCXIT-GZAFRIGSSA-N 1 0 545.048 8.443 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000017654041 561757211 /nfs/dbraw/zinc/75/72/11/561757211.db2.gz GHSWAFXMCOVQIF-BIDWXGPBSA-N 1 0 541.135 7.590 1 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655085 561757763 /nfs/dbraw/zinc/75/77/63/561757763.db2.gz ZDBKWMSLDSBPEF-CLJLJLNGSA-N 1 0 604.744 5.854 1 0 KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655029 561757765 /nfs/dbraw/zinc/75/77/65/561757765.db2.gz YZLHJDXGHOKASL-URLMMPGGSA-N 1 0 571.762 6.285 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(OC)cc1 ZINC000017655083 561757775 /nfs/dbraw/zinc/75/77/75/561757775.db2.gz SYJKXQLWHPPSOQ-SXOMAYOGSA-N 1 0 546.708 6.083 1 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654986 561757776 /nfs/dbraw/zinc/75/77/76/561757776.db2.gz NDPZVFGDWNTQOK-KAYWLYCHSA-N 1 0 618.771 6.245 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000022454001 561759345 /nfs/dbraw/zinc/75/93/45/561759345.db2.gz RYUYDSMTRQCJHP-VXKWHMMOSA-N 1 0 545.509 5.280 1 0 KKAFRO O[C@H](CNc1ccc(Cl)cc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941092 561761069 /nfs/dbraw/zinc/76/10/69/561761069.db2.gz UWCWXVUOPMHJCE-MUUNZHRXSA-N 1 0 514.060 5.621 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000025421636 561762783 /nfs/dbraw/zinc/76/27/83/561762783.db2.gz XWAXZZKYNRSMJU-LJAQVGFWSA-N 1 0 592.693 5.817 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCCCC[NH+](C)C)cc1)c1ccccc1 ZINC000025965328 561763089 /nfs/dbraw/zinc/76/30/89/561763089.db2.gz ZMFZXGZXFYMIPX-YHZPTAEISA-N 1 0 609.636 9.722 1 0 KKAFRO CC[N@H+](CCOc1ccc(C=C2SC(=O)NC2=O)cc1)C[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966398 561763172 /nfs/dbraw/zinc/76/31/72/561763172.db2.gz IDCRXMOPFLSPGO-WZDMNQRASA-N 1 0 510.656 5.126 1 0 KKAFRO C[NH+](C)Cc1oc2ccccc2c1C[C@](C)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 ZINC000026153014 561767992 /nfs/dbraw/zinc/76/79/92/561767992.db2.gz BUEBEWBKGTZUAF-IEGZHYQVSA-N 1 0 557.735 5.705 1 0 KKAFRO COC(=O)[C@H](CCCC[NH3+])N(C/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1)C/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000026144038 561767000 /nfs/dbraw/zinc/76/70/00/561767000.db2.gz CLPICHLYAAHELU-COWXECPQSA-N 1 0 688.953 10.565 1 0 KKAFRO c1cc2c(NCCCN3CC[NH+](CCCNc4nc5ccccc5n5cccc45)CC3)nc3ccccc3n2c1 ZINC000026144729 561767063 /nfs/dbraw/zinc/76/70/63/561767063.db2.gz SEBCNQGDCFBGNY-UHFFFAOYSA-N 1 0 532.696 5.210 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000026147084 561767301 /nfs/dbraw/zinc/76/73/01/561767301.db2.gz WXNBPORPPAPHMU-DHUJRADRSA-N 1 0 634.827 6.539 1 0 KKAFRO Clc1ccc2nc(NCCC[NH2+]CCCNc3nc4ccc(Cl)cc4n4cccc34)c3cccn3c2c1 ZINC000026160016 561768471 /nfs/dbraw/zinc/76/84/71/561768471.db2.gz MRWLZKSQGKNQKR-UHFFFAOYSA-N 1 0 532.479 6.489 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2OC)cc1 ZINC000026166959 561769311 /nfs/dbraw/zinc/76/93/11/561769311.db2.gz RSPWHGICVNMFPG-ZJSXRUAMSA-N 1 0 504.652 5.097 1 0 KKAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260812 561775385 /nfs/dbraw/zinc/77/53/85/561775385.db2.gz LJWODJDNHCOTQT-UHFFFAOYSA-N 1 0 657.687 5.532 1 0 KKAFRO COc1ccc([C@@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271334 561777362 /nfs/dbraw/zinc/77/73/62/561777362.db2.gz HCJPKEPIBGVGBG-JGCGQSQUSA-N 1 0 535.750 7.482 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272144 561777468 /nfs/dbraw/zinc/77/74/68/561777468.db2.gz KWDOINMAPBZMFT-UHFFFAOYSA-N 1 0 665.810 7.109 1 0 KKAFRO COc1ccc([C@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274494 561777889 /nfs/dbraw/zinc/77/78/89/561777889.db2.gz ADNUKJKNFPTGRR-XIFFEERXSA-N 1 0 549.777 7.872 1 0 KKAFRO CCCCCS[C@@H](CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275434 561778001 /nfs/dbraw/zinc/77/80/01/561778001.db2.gz JHMLCLNXGMKKNW-PMERELPUSA-N 1 0 515.760 7.304 1 0 KKAFRO CCCC[N@H+](C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026276358 561778328 /nfs/dbraw/zinc/77/83/28/561778328.db2.gz OIPJFXCVPBOEOT-UHFFFAOYSA-N 1 0 582.676 6.295 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@H]3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026282639 561779298 /nfs/dbraw/zinc/77/92/98/561779298.db2.gz GRKWMUZMGMYCOJ-HKBQPEDESA-N 1 0 612.727 5.011 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(n2cnc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026290883 561780450 /nfs/dbraw/zinc/78/04/50/561780450.db2.gz UZKOIIVAUWWAMY-XMMPIXPASA-N 1 0 535.519 6.926 1 0 KKAFRO O=C(N[C@@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1cccc2ccccc21)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376785 561782244 /nfs/dbraw/zinc/78/22/44/561782244.db2.gz QFGJBBJWKHXYRN-SSEXGKCCSA-N 1 0 543.111 6.216 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385434 561784281 /nfs/dbraw/zinc/78/42/81/561784281.db2.gz YFRNOLJAPPRTQZ-NYDCQLBNSA-N 1 0 612.623 6.238 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026487227 561792612 /nfs/dbraw/zinc/79/26/12/561792612.db2.gz FBCSVOQZPCKHIA-DSLZUCJSSA-N 1 0 629.131 5.305 1 0 KKAFRO CC(C)CC[N@@H+](c1ccc(NCc2ccc(O)cc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488341 561792900 /nfs/dbraw/zinc/79/29/00/561792900.db2.gz LAIFAPPRGCLVRM-UMSFTDKQSA-N 1 0 605.868 6.848 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492789 561793637 /nfs/dbraw/zinc/79/36/37/561793637.db2.gz CGQKCZPIKDKOIQ-DPHICTOZSA-N 1 0 649.549 5.569 1 0 KKAFRO CCCN(C(=O)N(C)Cc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497183 561794557 /nfs/dbraw/zinc/79/45/57/561794557.db2.gz KAPOEWFIQGCQKJ-HKBQPEDESA-N 1 0 590.834 5.909 1 0 KKAFRO Cc1cccc(CC[NH2+][C@@H](C)c2cccc(COc3nn4c(nnc4C(F)(F)F)c4ccccc43)n2)c1 ZINC000026502742 561795931 /nfs/dbraw/zinc/79/59/31/561795931.db2.gz BNFDLMAILPXQNE-SFHVURJKSA-N 1 0 506.532 5.472 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000026507050 561796630 /nfs/dbraw/zinc/79/66/30/561796630.db2.gz SIJRUMGCKUFQJL-MGBGTMOVSA-N 1 0 606.163 5.059 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026567668 561797381 /nfs/dbraw/zinc/79/73/81/561797381.db2.gz ZXGGAWLLOZVQTA-GDLZYMKVSA-N 1 0 563.764 5.604 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CCN(C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026571182 561798171 /nfs/dbraw/zinc/79/81/71/561798171.db2.gz RQCZULDYXOGDBE-LHEWISCISA-N 1 0 723.742 6.001 1 0 KKAFRO CCS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc3[nH]c(-c4cc(C)cc(C)c4)c([C@H](C)C[NH2+]CCCCc4ccncc4)c3c2)CC1 ZINC000026576751 561800579 /nfs/dbraw/zinc/80/05/79/561800579.db2.gz XMTTVOWPPRXBMY-GDLZYMKVSA-N 1 0 657.925 6.334 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000026577623 561801982 /nfs/dbraw/zinc/80/19/82/561801982.db2.gz DZHOQJKKFCAFHT-PQZOHRHNSA-N 1 0 551.580 6.489 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000026578540 561803542 /nfs/dbraw/zinc/80/35/42/561803542.db2.gz MRNGFCCVLNCTQA-RRCPXHSZSA-N 1 0 641.686 7.096 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026579020 561804041 /nfs/dbraw/zinc/80/40/41/561804041.db2.gz NCQZTUCLQGWATO-HHSLBVOYSA-N 1 0 626.071 6.596 1 0 KKAFRO O=[S@@]1CC2(CC[NH+](CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000026579496 561804905 /nfs/dbraw/zinc/80/49/05/561804905.db2.gz CBMMNOSYXCNURZ-COOREUGTSA-N 1 0 528.545 6.839 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000026579665 561805129 /nfs/dbraw/zinc/80/51/29/561805129.db2.gz QCBJDXAWTKFZMK-IMISRGLISA-N 1 0 626.071 6.596 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1 ZINC000026580115 561805513 /nfs/dbraw/zinc/80/55/13/561805513.db2.gz RNOFTLUOCWYLNW-HRDYMXONSA-N 1 0 584.613 6.810 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026640749 561806618 /nfs/dbraw/zinc/80/66/18/561806618.db2.gz PXRUBZWEIHGXGG-XMMPIXPASA-N 1 0 539.572 7.379 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026644656 561807215 /nfs/dbraw/zinc/80/72/15/561807215.db2.gz JZHXLYHEWUWHQL-GADTUSCJSA-N 1 0 632.632 7.830 1 0 KKAFRO C[C@H](C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)OCc1ccccc1 ZINC000026645343 561807413 /nfs/dbraw/zinc/80/74/13/561807413.db2.gz HGHGMMHXNFVBOD-QRRWFCJLSA-N 1 0 657.819 5.862 1 0 KKAFRO CCOC(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1 ZINC000026647621 561807770 /nfs/dbraw/zinc/80/77/70/561807770.db2.gz YCVMIWXQJXIBKY-UHFFFAOYSA-N 1 0 604.860 5.884 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1 ZINC000026651010 561808282 /nfs/dbraw/zinc/80/82/82/561808282.db2.gz UOHHUHYDRQINME-HTMZANKASA-N 1 0 536.503 5.675 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Br)cc2ccccc21 ZINC000026659286 561810054 /nfs/dbraw/zinc/81/00/54/561810054.db2.gz NUKZUQXYNIFDJX-MSYMSKFLSA-N 1 0 686.543 8.772 1 0 KKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2CN(C(=O)c3cccc4ccccc43)C[C@@H]2c2ccccc2)CC1 ZINC000026664977 561810975 /nfs/dbraw/zinc/81/09/75/561810975.db2.gz XYUPLSIDDGFHPC-RYCFQHDISA-N 1 0 553.747 6.419 1 0 KKAFRO CC(C)N1CCN(CCN2CC[NH+]([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669891 561812025 /nfs/dbraw/zinc/81/20/25/561812025.db2.gz XDVMQRQYTNBNKW-AOYPEHQESA-N 1 0 518.599 5.185 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(COC(=O)CC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674925 561813796 /nfs/dbraw/zinc/81/37/96/561813796.db2.gz OLDPWFNVRMMJAT-UHFFFAOYSA-N 1 0 564.130 5.975 1 0 KKAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O ZINC000026825252 561821828 /nfs/dbraw/zinc/82/18/28/561821828.db2.gz GRXKGMFBAMEGTB-UHSQPCAPSA-N 1 0 518.635 5.163 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719274 561814784 /nfs/dbraw/zinc/81/47/84/561814784.db2.gz SDNQSSKDJAHSSB-UHFFFAOYSA-N 1 0 659.278 7.963 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+]C[C@@H]3C)c2c1 ZINC000026726693 561816076 /nfs/dbraw/zinc/81/60/76/561816076.db2.gz QJQOECNRYHAQBH-CABCVRRESA-N 1 0 501.077 5.399 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026730623 561816682 /nfs/dbraw/zinc/81/66/82/561816682.db2.gz KTXWLWWFYDYESF-OUDZLNJNSA-N 1 0 520.629 5.152 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026735678 561817360 /nfs/dbraw/zinc/81/73/60/561817360.db2.gz UWZCXFMGRUEOHE-YBLJPNGSSA-N 1 0 520.629 5.152 1 0 KKAFRO CC(C)([NH3+])CCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026826584 561822070 /nfs/dbraw/zinc/82/20/70/561822070.db2.gz DYQSKNXPPMLAQL-SANMLTNESA-N 1 0 512.683 5.242 1 0 KKAFRO COc1ccc(CSC[C@@H]([NH3+])C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 ZINC000026751098 561819709 /nfs/dbraw/zinc/81/97/09/561819709.db2.gz HQBPLAXDCKDONK-HHHXNRCGSA-N 1 0 534.125 5.527 1 0 KKAFRO CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH+]Nc2ccccc2)c1 ZINC000026816198 561820284 /nfs/dbraw/zinc/82/02/84/561820284.db2.gz JKDGRXBQBRHVDT-ZXVVBBHZSA-N 1 0 543.624 5.282 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833537 561823543 /nfs/dbraw/zinc/82/35/43/561823543.db2.gz VVPDJLRPPVILJY-VAVYLYDRSA-N 1 0 556.106 5.597 1 0 KKAFRO CN1C(=O)N(C[C@@H](CC[NH+]2CCC(c3ccccc3)CC2)c2cccc(Cl)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000026840589 561825701 /nfs/dbraw/zinc/82/57/01/561825701.db2.gz YOVCSQXIWUBABU-PQHLKRTFSA-N 1 0 530.112 6.199 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCC2)c(C(C)C)c1 ZINC000026842191 561825994 /nfs/dbraw/zinc/82/59/94/561825994.db2.gz KQJFAHLTPFDWFI-MHZLTWQESA-N 1 0 540.774 5.243 1 0 KKAFRO CCn1c(=O)/c(=C/C=C2\Sc3ccc4ccccc4c3N2CC)n(CC)/c1=C/c1sc2c(ccc3ccccc23)[n+]1CC ZINC000026845079 561826383 /nfs/dbraw/zinc/82/63/83/561826383.db2.gz MTWMKRNVXVKZNS-VOUVHHRISA-N 1 0 603.837 6.601 1 0 KKAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)Nc1ccc2ccccc2n1 ZINC000026849870 561827087 /nfs/dbraw/zinc/82/70/87/561827087.db2.gz UNEUHPAMWQZDRU-LGCKKZMSSA-N 1 0 669.911 5.719 1 0 KKAFRO O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nn[nH]n3)cs2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955790 561829226 /nfs/dbraw/zinc/82/92/26/561829226.db2.gz UAGVBZUKAXYUQM-NDEPHWFRSA-N 1 0 569.735 5.237 1 0 KKAFRO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@H+](CCc3ccccc3)C[C@@H]2C)cc1 ZINC000026955346 561829232 /nfs/dbraw/zinc/82/92/32/561829232.db2.gz MYPRPKLBINTPDI-SZZWIKJPSA-N 1 0 513.726 5.904 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000026979320 561831192 /nfs/dbraw/zinc/83/11/92/561831192.db2.gz SIIMYHKMMDKZOK-NXLSWJSLSA-N 1 0 561.626 6.415 1 0 KKAFRO CCCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000026984878 561831717 /nfs/dbraw/zinc/83/17/17/561831717.db2.gz LOLZTTIEADDGGY-LGEVGLALSA-N 1 0 604.883 8.414 1 0 KKAFRO CCC[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987903 561832144 /nfs/dbraw/zinc/83/21/44/561832144.db2.gz SHQQFOCNCRFSKP-MUUNZHRXSA-N 1 0 665.839 5.918 1 0 KKAFRO CCc1nc(Cc2ccccc2)oc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027088376 561836785 /nfs/dbraw/zinc/83/67/85/561836785.db2.gz DUPJTNSPHJHTFW-QTKNLHBISA-N 1 0 573.753 6.505 1 0 KKAFRO Cc1noc(C)c1C[NH2+]CC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1 ZINC000027096157 561837974 /nfs/dbraw/zinc/83/79/74/561837974.db2.gz PURARAFMFBMOOV-UHFFFAOYSA-N 1 0 559.795 7.459 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105035 561839840 /nfs/dbraw/zinc/83/98/40/561839840.db2.gz PCDOWAYMDIDVIY-LJAQVGFWSA-N 1 0 665.279 5.030 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](C[C@@H](C)OCc2ccccc2)c2ccccc2)CC1 ZINC000027108486 561840849 /nfs/dbraw/zinc/84/08/49/561840849.db2.gz DXVIZQRYEHUENT-AKGWNBJDSA-N 1 0 528.737 7.279 1 0 KKAFRO C[C@H](C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179893 561841654 /nfs/dbraw/zinc/84/16/54/561841654.db2.gz ONTDQIVDLLQOGA-POURPWNDSA-N 1 0 519.751 6.263 1 0 KKAFRO CC(C)CNc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027190677 561843379 /nfs/dbraw/zinc/84/33/79/561843379.db2.gz QWOYYZOKPPWCNN-UHFFFAOYSA-N 1 0 650.795 7.907 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000027207613 561846182 /nfs/dbraw/zinc/84/61/82/561846182.db2.gz UCTGXUBCYYWFLY-IZLXSDGUSA-N 1 0 524.661 5.310 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccc(I)cc1 ZINC000027209703 561846826 /nfs/dbraw/zinc/84/68/26/561846826.db2.gz VWUYWLASXQATSZ-CRNKYVSFSA-N 1 0 631.501 6.703 1 0 KKAFRO O=C(NCCCO)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027214667 561848016 /nfs/dbraw/zinc/84/80/16/561848016.db2.gz SBNGTUNIBSXQPH-UHFFFAOYSA-N 1 0 550.143 5.072 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000027326544 561853824 /nfs/dbraw/zinc/85/38/24/561853824.db2.gz MFTBZXGBGMFYDU-UHFFFAOYSA-N 1 0 623.729 5.940 1 0 KKAFRO CC(C)[NH+]1CCN([C@@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc3c2OCO3)CC1 ZINC000027437578 561860335 /nfs/dbraw/zinc/86/03/35/561860335.db2.gz YOMKURGHXWLZFQ-QFIPXVFZSA-N 1 0 559.551 5.221 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12 ZINC000027437092 561860365 /nfs/dbraw/zinc/86/03/65/561860365.db2.gz ZGWTZTNRPVIWNM-MGBGTMOVSA-N 1 0 575.503 7.507 1 0 KKAFRO CN(C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027437564 561860391 /nfs/dbraw/zinc/86/03/91/561860391.db2.gz KVMAFOLRKOWSLN-SANMLTNESA-N 1 0 624.497 7.724 1 0 KKAFRO CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000027517330 561861087 /nfs/dbraw/zinc/86/10/87/561861087.db2.gz CBPSLOOFWLIHIO-LJAQVGFWSA-N 1 0 608.671 6.768 1 0 KKAFRO CCOc1cccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000027517414 561861208 /nfs/dbraw/zinc/86/12/08/561861208.db2.gz PPBGNSZPDCEZLQ-DJXTYDQKSA-N 1 0 561.682 5.880 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517876 561861587 /nfs/dbraw/zinc/86/15/87/561861587.db2.gz OVNDNIJQJAWJBW-DGPALRBDSA-N 1 0 595.672 7.339 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517897 561861722 /nfs/dbraw/zinc/86/17/22/561861722.db2.gz HXDFCVUEFGABQU-AREMUKBSSA-N 1 0 555.607 5.945 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518043 561861830 /nfs/dbraw/zinc/86/18/30/561861830.db2.gz UEXAKWLHQITACD-GDLZYMKVSA-N 1 0 591.640 7.228 1 0 KKAFRO CN(C[C@@H](c1cccc2c1OCO2)N1CC[NH+](C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518123 561862002 /nfs/dbraw/zinc/86/20/02/561862002.db2.gz HHQOEPKLIPHRNY-VWLOTQADSA-N 1 0 599.616 6.145 1 0 KKAFRO COC(=O)[C@@H]1CCCN1C(=O)OC[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027518228 561862045 /nfs/dbraw/zinc/86/20/45/561862045.db2.gz ITDXVVWKISTTTD-BFGHFXMOSA-N 1 0 696.781 5.822 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000027518303 561862116 /nfs/dbraw/zinc/86/21/16/561862116.db2.gz KNMZNGOPLMOVFC-MUUNZHRXSA-N 1 0 605.623 5.918 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000027518304 561862140 /nfs/dbraw/zinc/86/21/40/561862140.db2.gz KNMZNGOPLMOVFC-NDEPHWFRSA-N 1 0 605.623 5.918 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000027519291 561863022 /nfs/dbraw/zinc/86/30/22/561863022.db2.gz GGBQHCPYXMONLA-GMYSVHFESA-N 1 0 553.684 5.030 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000027520007 561863379 /nfs/dbraw/zinc/86/33/79/561863379.db2.gz GUMNUIVKTFMZDK-KPMGJGTDSA-N 1 0 547.655 5.490 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000027548440 561867522 /nfs/dbraw/zinc/86/75/22/561867522.db2.gz WYTROYHDZVVBLA-UHFFFAOYSA-N 1 0 516.129 7.702 1 0 KKAFRO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027551422 561868026 /nfs/dbraw/zinc/86/80/26/561868026.db2.gz FMXLYBQQAIUKMP-UHFFFAOYSA-N 1 0 547.621 5.869 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)N1CCN(C2CCC(c3ccccc3)CC2)C1=O ZINC000027555532 561869459 /nfs/dbraw/zinc/86/94/59/561869459.db2.gz WJNFRXDCJOMDIS-OTPHCBAJSA-N 1 0 629.846 6.060 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCN(S(C)(=O)=O)CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027561214 561870747 /nfs/dbraw/zinc/87/07/47/561870747.db2.gz OWSYOWMLURCWPM-UHFFFAOYSA-N 1 0 618.800 5.388 1 0 KKAFRO CCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c(-c2ccccc2)cn(Cc2ccccc2)c1[C@@H]3O5 ZINC000027618565 561872136 /nfs/dbraw/zinc/87/21/36/561872136.db2.gz RASYJBAUQKYAME-XZLGBSMGSA-N 1 0 518.657 5.608 1 0 KKAFRO C[C@H](CC[NH+]1CCC(C)CC1)[C@@H](C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1 ZINC000027646480 561875890 /nfs/dbraw/zinc/87/58/90/561875890.db2.gz YGWIZVNCKBJGHU-IAGOWNOFSA-N 1 0 563.421 6.860 1 0 KKAFRO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC000027653585 561877078 /nfs/dbraw/zinc/87/70/78/561877078.db2.gz WNTHOKBCZNRPBB-YZNIXAGQSA-N 1 0 641.257 5.079 1 0 KKAFRO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000027656602 561877628 /nfs/dbraw/zinc/87/76/28/561877628.db2.gz BXUMHQJTHQBGLJ-VBTAUBHQSA-N 1 0 619.895 7.082 1 0 KKAFRO CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027657266 561878068 /nfs/dbraw/zinc/87/80/68/561878068.db2.gz ARBFDFUYDDALSU-GIKUREFASA-N 1 0 701.978 5.359 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc1)CC2 ZINC000027657794 561878331 /nfs/dbraw/zinc/87/83/31/561878331.db2.gz AEXVPZYELNSRFS-UHFFFAOYSA-N 1 0 535.644 5.809 1 0 in-vivo KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658006 561878428 /nfs/dbraw/zinc/87/84/28/561878428.db2.gz RNWITDSGQWLWQU-UHFFFAOYSA-N 1 0 600.719 6.666 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027710048 561879529 /nfs/dbraw/zinc/87/95/29/561879529.db2.gz TZASTBIDWCFCGN-UHFFFAOYSA-N 1 0 586.692 6.357 1 0 in-vivo KKAFRO O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027856034 561886490 /nfs/dbraw/zinc/88/64/90/561886490.db2.gz VEFNOXUMCKBHJC-YTTGMZPUSA-N 1 0 634.202 5.276 1 0 KKAFRO Brc1ccc(C(OCCC2CC[NH+](CCCc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000027865198 561887575 /nfs/dbraw/zinc/88/75/75/561887575.db2.gz YOYPNARDKFMVGY-UHFFFAOYSA-N 1 0 571.397 8.053 1 0 KKAFRO CC/C(=C(/c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(O)cc1 ZINC000027884559 561889274 /nfs/dbraw/zinc/88/92/74/561889274.db2.gz ZJRLQCWVKOOKCH-BYYHNAKLSA-N 1 0 539.457 6.841 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3ccccc3C)CC1)(c1ccc(F)cc1)OCC2 ZINC000027889688 561889836 /nfs/dbraw/zinc/88/98/36/561889836.db2.gz XPBIPWRGNPLCGP-HKBQPEDESA-N 1 0 504.646 5.570 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2cnc3nccnc3c2)c1 ZINC000027895405 561890152 /nfs/dbraw/zinc/89/01/52/561890152.db2.gz QNONQVOBXAIXEG-XJRVHGQPSA-N 1 0 628.865 7.937 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccs3)CO2)CC1 ZINC000027990447 561892922 /nfs/dbraw/zinc/89/29/22/561892922.db2.gz QOZQMEZPJNSHAK-NDEPHWFRSA-N 1 0 558.531 5.290 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2cccc3cnccc32)c1 ZINC000027981546 561891654 /nfs/dbraw/zinc/89/16/54/561891654.db2.gz ZYJWQOPJJJPWMH-GVOFKLESSA-N 1 0 626.889 9.147 1 0 KKAFRO CON[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986291 561892347 /nfs/dbraw/zinc/89/23/47/561892347.db2.gz IFPPRPWFEFODEU-UHSQPCAPSA-N 1 0 679.529 8.225 1 0 KKAFRO CO/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986306 561892380 /nfs/dbraw/zinc/89/23/80/561892380.db2.gz IQNVLMRVUGAEBD-CZZSLVPDSA-N 1 0 676.525 9.235 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027987955 561892520 /nfs/dbraw/zinc/89/25/20/561892520.db2.gz YTZPJEFFSUDXSY-QNGWXLTQSA-N 1 0 712.671 5.627 1 0 KKAFRO COc1cc2c(cc1OCC[NH+](CCO)CCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027990674 561893086 /nfs/dbraw/zinc/89/30/86/561893086.db2.gz LTMSBTWMKOQROE-UHFFFAOYSA-N 1 0 545.680 5.742 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027996458 561893888 /nfs/dbraw/zinc/89/38/88/561893888.db2.gz LLUYYQBYHZQMBU-XIFFEERXSA-N 1 0 642.580 5.254 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cnc4ccccc4n3)CO2)CC1 ZINC000027997733 561893992 /nfs/dbraw/zinc/89/39/92/561893992.db2.gz YPMQFAKGLXDLDO-YTTGMZPUSA-N 1 0 604.538 5.171 1 0 KKAFRO COc1cc(CC(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997722 561894011 /nfs/dbraw/zinc/89/40/11/561894011.db2.gz AMMWQWYRXWMQMW-UMSFTDKQSA-N 1 0 656.607 5.183 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000027999892 561894540 /nfs/dbraw/zinc/89/45/40/561894540.db2.gz HFTDAWJFAQMENN-BLPPHFNDSA-N 1 0 625.187 5.335 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)SCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028000958 561894718 /nfs/dbraw/zinc/89/47/18/561894718.db2.gz UELZWBYLEPKHCQ-YTTGMZPUSA-N 1 0 643.633 6.973 1 0 KKAFRO COc1ccc(OCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028000623 561894722 /nfs/dbraw/zinc/89/47/22/561894722.db2.gz YHANNGGLPWSWDN-WJOKGBTCSA-N 1 0 530.690 6.216 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CCC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028003053 561895027 /nfs/dbraw/zinc/89/50/27/561895027.db2.gz CXUPEUUCLWUJBN-UMSFTDKQSA-N 1 0 656.607 5.644 1 0 KKAFRO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028006399 561895612 /nfs/dbraw/zinc/89/56/12/561895612.db2.gz BRCFAGPWPWYSAX-QOCRQHEPSA-N 1 0 638.850 5.431 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCN(CCc3cc(OC)c(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028006028 561895629 /nfs/dbraw/zinc/89/56/29/561895629.db2.gz LJXKIMGZTFCYDE-UUWRZZSWSA-N 1 0 621.800 5.508 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028006853 561895675 /nfs/dbraw/zinc/89/56/75/561895675.db2.gz WYTXVYFAHIKUPX-JGCGQSQUSA-N 1 0 579.162 7.260 1 0 KKAFRO CCn1nc(Cc2ccc(F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008039 561895988 /nfs/dbraw/zinc/89/59/88/561895988.db2.gz ODVDBGHVIJLFQG-NNYJQHGCSA-N 1 0 564.721 5.776 1 0 KKAFRO CCn1ncc(Cc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008519 561896012 /nfs/dbraw/zinc/89/60/12/561896012.db2.gz ABASHAPKXWJBNZ-VUHKNJSWSA-N 1 0 568.806 6.422 1 0 KKAFRO Cn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008894 561896054 /nfs/dbraw/zinc/89/60/54/561896054.db2.gz NMBWUFYTQZILMB-VUHKNJSWSA-N 1 0 568.806 6.134 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028008865 561896119 /nfs/dbraw/zinc/89/61/19/561896119.db2.gz ZWOQMOJOUOIONP-HKBQPEDESA-N 1 0 548.680 6.356 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028009822 561896270 /nfs/dbraw/zinc/89/62/70/561896270.db2.gz NICFFCSRVUXGOH-XIFFEERXSA-N 1 0 594.774 6.602 1 0 KKAFRO CCn1nc(Cc2ccc(Cl)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017818 561897750 /nfs/dbraw/zinc/89/77/50/561897750.db2.gz MXJBFVIZLFDIAO-NNYJQHGCSA-N 1 0 581.176 6.291 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014306 561897002 /nfs/dbraw/zinc/89/70/02/561897002.db2.gz CAGZIBHOJDZLGX-WOFKWEEXSA-N 1 0 636.856 7.694 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028014062 561897009 /nfs/dbraw/zinc/89/70/09/561897009.db2.gz PSOBWSAKQGYGMP-MGBGTMOVSA-N 1 0 594.774 6.602 1 0 KKAFRO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014301 561897011 /nfs/dbraw/zinc/89/70/11/561897011.db2.gz IZOGIEBLWOHFCN-QYGIXFTLSA-N 1 0 636.856 7.694 1 0 KKAFRO CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028019479 561898172 /nfs/dbraw/zinc/89/81/72/561898172.db2.gz FEKNIQDVBGNYIH-NEUJRDPRSA-N 1 0 604.767 5.756 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020373 561898424 /nfs/dbraw/zinc/89/84/24/561898424.db2.gz LDQZTCUONOGUGB-YTTGMZPUSA-N 1 0 580.747 6.212 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccccc1 ZINC000028108351 561902628 /nfs/dbraw/zinc/90/26/28/561902628.db2.gz SDHHOFBLTRTNNH-AZGAKELHSA-N 1 0 516.605 5.248 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028093250 561900384 /nfs/dbraw/zinc/90/03/84/561900384.db2.gz WBKRXYVTNUALQH-UMSFTDKQSA-N 1 0 622.637 6.403 1 0 KKAFRO NC(=[NH2+])NCc1cccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)c1 ZINC000028101081 561901522 /nfs/dbraw/zinc/90/15/22/561901522.db2.gz HDUWJBVQDKDXSQ-UHFFFAOYSA-N 1 0 533.419 5.543 1 0 KKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(Cl)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104798 561902198 /nfs/dbraw/zinc/90/21/98/561902198.db2.gz CKSSQVVVVRRGTB-QFIPXVFZSA-N 1 0 530.927 8.141 1 0 KKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028111785 561903132 /nfs/dbraw/zinc/90/31/32/561903132.db2.gz FWQVEPLQUPRTLH-JOCHJYFZSA-N 1 0 514.472 7.627 1 0 KKAFRO O=C1c2cc3ccccc3cc2C(=O)N1CCCCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1 ZINC000028228721 561908643 /nfs/dbraw/zinc/90/86/43/561908643.db2.gz KHZKTGINGBEOME-UHFFFAOYSA-N 1 0 535.475 6.430 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000028116613 561903829 /nfs/dbraw/zinc/90/38/29/561903829.db2.gz TXRMMMQHBVOSRA-NRFANRHFSA-N 1 0 537.963 6.893 1 0 KKAFRO C[NH+](C)CCCn1nc(C2=C(c3cn(-c4cccc5ccccc54)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000028118325 561904091 /nfs/dbraw/zinc/90/40/91/561904091.db2.gz IGFXNXIRVKBKLL-UHFFFAOYSA-N 1 0 539.639 5.652 1 0 KKAFRO CCCCn1c2ccccc2n(C2CC[NH+](C[C@@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127745 561905217 /nfs/dbraw/zinc/90/52/17/561905217.db2.gz ATZFNPDRRIDACJ-HHHXNRCGSA-N 1 0 619.210 5.031 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028129249 561905345 /nfs/dbraw/zinc/90/53/45/561905345.db2.gz GETZJGVTPRSRQI-WDYNHAJCSA-N 1 0 584.727 6.614 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028129243 561905391 /nfs/dbraw/zinc/90/53/91/561905391.db2.gz GETZJGVTPRSRQI-FQLXRVMXSA-N 1 0 584.727 6.614 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134778 561906477 /nfs/dbraw/zinc/90/64/77/561906477.db2.gz IMCGOKASJNONCI-NIYFSFCBSA-N 1 0 513.469 5.121 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCC[C@@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217969 561907041 /nfs/dbraw/zinc/90/70/41/561907041.db2.gz RWAXNKUPBSKCHC-RUZDIDTESA-N 1 0 509.593 5.593 1 0 KKAFRO COc1cc(Cc2c3ccc(N)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028225159 561907792 /nfs/dbraw/zinc/90/77/92/561907792.db2.gz VPZXIEQNEJINFY-UHFFFAOYSA-N 1 0 557.760 6.057 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028109907 561902926 /nfs/dbraw/zinc/90/29/26/561902926.db2.gz MKDZXXZHCALEBM-UHFFFAOYSA-N 1 0 564.748 6.246 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028239287 561910231 /nfs/dbraw/zinc/91/02/31/561910231.db2.gz JIAFQKZOSKMEQV-UHFFFAOYSA-N 1 0 609.698 6.848 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S@@](=O)C(F)(F)F)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028244698 561910692 /nfs/dbraw/zinc/91/06/92/561910692.db2.gz KLMLMBZALYAYAZ-XIILWLOFSA-N 1 0 595.687 5.934 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Nc1ccccc1)C(C)C ZINC000028330675 561912740 /nfs/dbraw/zinc/91/27/40/561912740.db2.gz AXRKVKQBIUAXQE-PMERELPUSA-N 1 0 528.697 5.632 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C ZINC000028332019 561912948 /nfs/dbraw/zinc/91/29/48/561912948.db2.gz UUARZGDHGBOXLA-WJOKGBTCSA-N 1 0 591.774 5.135 1 0 KKAFRO COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)c(S(=O)(=O)c2ccccc2)cc1OCc1ccccc1 ZINC000028338314 561913629 /nfs/dbraw/zinc/91/36/29/561913629.db2.gz PVRUWGCKIMLDRQ-UUWRZZSWSA-N 1 0 634.758 5.861 1 0 KKAFRO CC(=O)c1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028337305 561913634 /nfs/dbraw/zinc/91/36/34/561913634.db2.gz OMADLRZDINRQSY-JGCGQSQUSA-N 1 0 555.719 5.443 1 0 KKAFRO CC(=O)[C@@H](C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000028340840 561914022 /nfs/dbraw/zinc/91/40/22/561914022.db2.gz YZNDAQVUGOIYLF-CZNDPXEESA-N 1 0 569.746 5.299 1 0 KKAFRO CC(=O)Nc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028344872 561914582 /nfs/dbraw/zinc/91/45/82/561914582.db2.gz YLHALWMQFXSNLR-NDEPHWFRSA-N 1 0 552.716 5.507 1 0 KKAFRO CO[P@](=O)(CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236801 561909775 /nfs/dbraw/zinc/90/97/75/561909775.db2.gz RPBLAMOSILDGGB-SHLBTRJHSA-N 1 0 556.659 5.447 1 0 KKAFRO CCC[NH+]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028347237 561915022 /nfs/dbraw/zinc/91/50/22/561915022.db2.gz TXMYNHMEJQOXEL-UHFFFAOYSA-N 1 0 515.601 6.222 1 0 KKAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)[C@H](O)c1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028354496 561916039 /nfs/dbraw/zinc/91/60/39/561916039.db2.gz HTOZTDPNNYZTSI-VFOLAFRDSA-N 1 0 535.773 5.246 1 0 KKAFRO Cc1ccc(Cl)c(OC2([C@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)[NH+](C)C)CCCCC2)c1 ZINC000028356105 561916241 /nfs/dbraw/zinc/91/62/41/561916241.db2.gz LQXZWLDWDGUVKO-MHZLTWQESA-N 1 0 511.110 5.640 1 0 KKAFRO Cc1c(-c2csc(-c3ccc(F)cc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360732 561916724 /nfs/dbraw/zinc/91/67/24/561916724.db2.gz QNGXNBXGSZLROB-DEOSSOPVSA-N 1 0 548.590 5.275 1 0 KKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4Br)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028368076 561917924 /nfs/dbraw/zinc/91/79/24/561917924.db2.gz ZDQVHGDVBPJBHO-UHFFFAOYSA-N 1 0 512.444 5.483 1 0 KKAFRO Cc1c(-c2csc(Nc3ccccc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028374165 561918913 /nfs/dbraw/zinc/91/89/13/561918913.db2.gz HPRZHXOYEKMMAR-DEOSSOPVSA-N 1 0 545.615 5.212 1 0 KKAFRO CN1CC[C@H]([N@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028379898 561919978 /nfs/dbraw/zinc/91/99/78/561919978.db2.gz BXBBTGROZZZYEE-SFHVURJKSA-N 1 0 568.061 5.650 1 0 KKAFRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028386552 561921227 /nfs/dbraw/zinc/92/12/27/561921227.db2.gz YIASALHPWOWEBM-UHFFFAOYSA-N 1 0 671.185 7.613 1 0 KKAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)C[NH+]1CCSCC1 ZINC000028389154 561921785 /nfs/dbraw/zinc/92/17/85/561921785.db2.gz UGGXSVBEXQDAJA-OAHLLOKOSA-N 1 0 531.021 5.075 1 0 KKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000028389482 561921924 /nfs/dbraw/zinc/92/19/24/561921924.db2.gz LAKDRQOGCMXZBD-UHFFFAOYSA-N 1 0 549.675 5.671 1 0 KKAFRO COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCC[NH+]1CCCCC1 ZINC000028392427 561922470 /nfs/dbraw/zinc/92/24/70/561922470.db2.gz GLYCOPUOGKGJKU-UHFFFAOYSA-N 1 0 597.720 5.039 1 0 KKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028457615 561924133 /nfs/dbraw/zinc/92/41/33/561924133.db2.gz NIUSUERMVMTRCX-UHFFFAOYSA-N 1 0 518.627 7.677 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460554 561925089 /nfs/dbraw/zinc/92/50/89/561925089.db2.gz RBKDACLJKAMLFN-PKSOEHBHSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000028461039 561925116 /nfs/dbraw/zinc/92/51/16/561925116.db2.gz KCRWTADXFHLVQC-KSMSDSDGSA-N 1 0 671.185 6.895 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3CC[NH2+]C[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461602 561925347 /nfs/dbraw/zinc/92/53/47/561925347.db2.gz HQLXQTOXHLBXLG-WNFINXHJSA-N 1 0 623.194 6.625 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[C@@H]2[NH3+])CC1 ZINC000028464407 561926021 /nfs/dbraw/zinc/92/60/21/561926021.db2.gz XLDGDUSCVKLZIR-RWSKJCERSA-N 1 0 621.266 5.213 1 0 KKAFRO O=C1N(CC[N@@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028520647 561928962 /nfs/dbraw/zinc/92/89/62/561928962.db2.gz JMZQVZXDDGZTNB-UHFFFAOYSA-N 1 0 527.068 6.225 1 0 KKAFRO CC(=O)Nc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 ZINC000028523067 561929884 /nfs/dbraw/zinc/92/98/84/561929884.db2.gz NEJCBINLDBVJRU-XIFFEERXSA-N 1 0 626.804 6.026 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCCc2cc3ccccc3[nH]2)O1 ZINC000028523525 561930260 /nfs/dbraw/zinc/93/02/60/561930260.db2.gz FRAXZZCXXRETTJ-CJXYESMESA-N 1 0 572.746 6.158 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCC3CCCC3)cs2)cc1 ZINC000028523592 561930283 /nfs/dbraw/zinc/93/02/83/561930283.db2.gz RSMZYDHCSCEXJF-YTTGMZPUSA-N 1 0 589.827 6.523 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000028524037 561930646 /nfs/dbraw/zinc/93/06/46/561930646.db2.gz WOMSAMQUKONRNK-UMSFTDKQSA-N 1 0 620.800 6.616 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(OCC[NH+](CC)CC)c2)[C@H]1O ZINC000028525043 561931106 /nfs/dbraw/zinc/93/11/06/561931106.db2.gz ZYSJZOFUDPKBDL-FIRIVFDPSA-N 1 0 558.829 6.120 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028527323 561932422 /nfs/dbraw/zinc/93/24/22/561932422.db2.gz GVPVYHKORBHADC-MUUNZHRXSA-N 1 0 587.613 6.475 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000028528382 561933025 /nfs/dbraw/zinc/93/30/25/561933025.db2.gz WXPALFNOHPEXQH-QNGWXLTQSA-N 1 0 687.928 6.110 1 0 KKAFRO C[C@@H]1CCN(C(=O)C2CCCCC2)c2c(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cccc21 ZINC000028528902 561933452 /nfs/dbraw/zinc/93/34/52/561933452.db2.gz NUULIEKFIPBBLV-JOCHJYFZSA-N 1 0 502.728 6.082 1 0 KKAFRO C[C@]12CC[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000028530723 561934874 /nfs/dbraw/zinc/93/48/74/561934874.db2.gz NLBUQUOOGHMLGR-LUXRKADZSA-N 1 0 550.787 7.156 1 0 KKAFRO CC1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028571050 561939159 /nfs/dbraw/zinc/93/91/59/561939159.db2.gz FLJLGJKLCGQKKZ-KAYWLYCHSA-N 1 0 506.090 6.101 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC([NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571238 561939263 /nfs/dbraw/zinc/93/92/63/561939263.db2.gz NKEZCSVNPKYVIB-UHFFFAOYSA-N 1 0 562.600 5.003 1 0 KKAFRO O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000028571812 561939531 /nfs/dbraw/zinc/93/95/31/561939531.db2.gz SLQATEXLOSCKLW-RRPNLBNLSA-N 1 0 522.089 5.578 1 0 KKAFRO COc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)c1 ZINC000028572263 561939858 /nfs/dbraw/zinc/93/98/58/561939858.db2.gz UDRPONFHRUHHQA-OROMBRFGSA-N 1 0 548.625 5.445 1 0 KKAFRO COc1ccc(C(c2ccc(OC)cc2)=C2C[C@H](c3ccc(OCC[NH+](C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604466 561940641 /nfs/dbraw/zinc/94/06/41/561940641.db2.gz MDAWDMHTRPPIJM-MGBGTMOVSA-N 1 0 551.683 7.136 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cncnc3)nc2)cc1 ZINC000028604468 561940710 /nfs/dbraw/zinc/94/07/10/561940710.db2.gz PRUIAFYCRPBATJ-UHFFFAOYSA-N 1 0 515.746 6.816 1 0 KKAFRO CO[C@@H](CCC1=CCCC=C1)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000028636192 561941269 /nfs/dbraw/zinc/94/12/69/561941269.db2.gz RLRJPAMIDWEUSL-NDKRRWIDSA-N 1 0 511.706 6.982 1 0 KKAFRO Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028636903 561941448 /nfs/dbraw/zinc/94/14/48/561941448.db2.gz WZBLFSBEHKJWHC-GDLZYMKVSA-N 1 0 534.708 5.429 1 0 KKAFRO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2CC[NH+]2CCCCC2)ccn1 ZINC000028636687 561941487 /nfs/dbraw/zinc/94/14/87/561941487.db2.gz XFLRINGJGXUMHW-VQJSHJPSSA-N 1 0 591.778 6.225 1 0 KKAFRO CC(C)C[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028643136 561944014 /nfs/dbraw/zinc/94/40/14/561944014.db2.gz UAXUURASZQTGIL-KAYWLYCHSA-N 1 0 607.670 5.640 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028643054 561944040 /nfs/dbraw/zinc/94/40/40/561944040.db2.gz POLHGSULGVCVRH-CLJLJLNGSA-N 1 0 607.670 5.782 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(C[NH+]3CCCC3)ccc21 ZINC000028643140 561944044 /nfs/dbraw/zinc/94/40/44/561944044.db2.gz RWSNBZPLWHLFHV-KAYWLYCHSA-N 1 0 605.654 5.490 1 0 KKAFRO CCC(C(=O)NCCC[NH+]1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028710121 561950977 /nfs/dbraw/zinc/95/09/77/561950977.db2.gz GDXCCQORISFUQU-UHFFFAOYSA-N 1 0 525.737 6.363 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710174 561951005 /nfs/dbraw/zinc/95/10/05/561951005.db2.gz PZSAAJDAUJLGEO-UHFFFAOYSA-N 1 0 525.737 6.579 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000028710137 561951010 /nfs/dbraw/zinc/95/10/10/561951010.db2.gz MQQZLHMZAFVDKC-UHFFFAOYSA-N 1 0 533.663 6.077 1 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(CO)c3)C[C@@H]2C1)C(C)C ZINC000028649970 561945808 /nfs/dbraw/zinc/94/58/08/561945808.db2.gz LYEQKYURSBNTPS-ZLZBJJAKSA-N 1 0 516.101 6.435 1 0 KKAFRO C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2cc(Cl)nc(Cl)c2)CC3)c1 ZINC000028650188 561945921 /nfs/dbraw/zinc/94/59/21/561945921.db2.gz RKIZEMGGSLKGQX-ZLZBJJAKSA-N 1 0 608.636 5.466 1 0 KKAFRO Cc1ccccc1N1CC[NH+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 ZINC000028702695 561947191 /nfs/dbraw/zinc/94/71/91/561947191.db2.gz KOWXOUSZBZVURT-OAQYLSRUSA-N 1 0 585.618 5.684 1 0 KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(N(CC[NH+]4CCCC4)C(=O)c4ccccc4)c3)nnc2c1 ZINC000028702873 561947438 /nfs/dbraw/zinc/94/74/38/561947438.db2.gz PUMXEUMJPWUEQO-UHFFFAOYSA-N 1 0 556.714 7.103 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702906 561947489 /nfs/dbraw/zinc/94/74/89/561947489.db2.gz SSLRKYCBEPQPOB-JXWWNXESSA-N 1 0 732.816 8.520 1 0 KKAFRO CCCCCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704029 561948100 /nfs/dbraw/zinc/94/81/00/561948100.db2.gz PZTOZWZKJLRLIC-SVVQVXAZSA-N 1 0 620.722 9.156 1 0 KKAFRO CC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704000 561948137 /nfs/dbraw/zinc/94/81/37/561948137.db2.gz FEHOZFOZMBPRSW-WMQPQHNASA-N 1 0 564.614 7.596 1 0 KKAFRO CCCCCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704078 561948323 /nfs/dbraw/zinc/94/83/23/561948323.db2.gz FONMXWMXXFXJLM-JPXPHEEESA-N 1 0 570.715 8.277 1 0 KKAFRO O=C1Cc2c(-c3ccccc3)cc(-c3ccc(OCCCC[NH+]4CCOCC4)c(Cl)c3)nc2-c2ccccc2N1 ZINC000028704149 561948345 /nfs/dbraw/zinc/94/83/45/561948345.db2.gz SMYQIQOIDKMPJV-UHFFFAOYSA-N 1 0 554.090 6.722 1 0 KKAFRO CN1CC[NH+](CCCCOc2ccc(-c3cc(-c4cccc(Cl)c4)nc4c3CC(=O)Nc3ccccc3-4)cc2)CC1 ZINC000028704158 561948392 /nfs/dbraw/zinc/94/83/92/561948392.db2.gz OFRBUOPHDSHXIY-UHFFFAOYSA-N 1 0 567.133 6.637 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704293 561948530 /nfs/dbraw/zinc/94/85/30/561948530.db2.gz LTKKMSORNDRROD-IAPPQJPRSA-N 1 0 560.160 5.711 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cncc(OC)c5)cc4)CC3)C2=O)c1 ZINC000028704502 561948705 /nfs/dbraw/zinc/94/87/05/561948705.db2.gz GMAUZWFHZJGCSP-UHFFFAOYSA-N 1 0 580.660 5.909 1 0 KKAFRO CC[NH+](CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028758701 561957388 /nfs/dbraw/zinc/95/73/88/561957388.db2.gz INBHEMVZSGTLCO-UHFFFAOYSA-N 1 0 554.404 7.016 1 0 KKAFRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711866 561952410 /nfs/dbraw/zinc/95/24/10/561952410.db2.gz RGCRRRXBLPVENP-GDLZYMKVSA-N 1 0 523.681 6.667 1 0 KKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000028711928 561952638 /nfs/dbraw/zinc/95/26/38/561952638.db2.gz MNVDKXPJRHTVKG-NRFANRHFSA-N 1 0 540.029 7.357 1 0 KKAFRO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH+](C)C)c(I)c1 ZINC000028712354 561952983 /nfs/dbraw/zinc/95/29/83/561952983.db2.gz WNOMYBDPGOMADI-UHFFFAOYSA-N 1 0 617.265 6.156 1 0 KKAFRO CC(C)(C)C(=O)[C@@H](C(=O)N1CCC(CC[NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@H]2c2ccccc2)[C@@H]1/C=C/c1ccccc1 ZINC000028713348 561953965 /nfs/dbraw/zinc/95/39/65/561953965.db2.gz PXNIRIADSDYIAW-GUTFHGTRSA-N 1 0 654.852 5.571 1 0 KKAFRO CCC[NH+]1CCN(C(=O)CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000028713449 561953966 /nfs/dbraw/zinc/95/39/66/561953966.db2.gz SRMPJKDHFPXOIQ-JDJNTPLHSA-N 1 0 731.816 5.511 1 0 KKAFRO C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC000028713464 561954082 /nfs/dbraw/zinc/95/40/82/561954082.db2.gz FJUKOXWSIGULLE-JVOQCOEYSA-N 1 0 703.884 5.586 1 0 investigational KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(OC(F)(F)F)c1 ZINC000028714039 561954491 /nfs/dbraw/zinc/95/44/91/561954491.db2.gz HRIRMMAVRJBHLX-UHFFFAOYSA-N 1 0 550.025 5.027 1 0 KKAFRO OCCCCC[NH2+]C[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028771610 561961519 /nfs/dbraw/zinc/96/15/19/561961519.db2.gz MARVVBZVZJCNTH-QBLDGPCBSA-N 1 0 678.870 6.960 1 0 KKAFRO c1ccc(C(C[NH+]2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816189 561963975 /nfs/dbraw/zinc/96/39/75/561963975.db2.gz ZTEXVRHCXLULPT-GYOJGHLZSA-N 1 0 624.825 8.433 1 0 KKAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817311 561964655 /nfs/dbraw/zinc/96/46/55/561964655.db2.gz NONROIXFLUILLP-LBFZIJHGSA-N 1 0 706.296 5.541 1 0 KKAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000028818484 561965183 /nfs/dbraw/zinc/96/51/83/561965183.db2.gz XLEBNXXELANZQW-VXKWHMMOSA-N 1 0 526.106 5.094 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824138 561969055 /nfs/dbraw/zinc/96/90/55/561969055.db2.gz QCTUSBFBBGMJJM-REUBFRLUSA-N 1 0 555.163 5.604 1 0 KKAFRO CCNC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](CCCn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824396 561969528 /nfs/dbraw/zinc/96/95/28/561969528.db2.gz BWVAZLGDVQMTSE-UHFFFAOYSA-N 1 0 691.817 6.260 1 0 KKAFRO COC(=O)c1oc2cc(F)ccc2c1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028824378 561969532 /nfs/dbraw/zinc/96/95/32/561969532.db2.gz KHQBPFWJMSVKLA-XMMPIXPASA-N 1 0 642.650 5.386 1 0 KKAFRO COC(=O)c1sc2cc(F)ccc2c1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824387 561969557 /nfs/dbraw/zinc/96/95/57/561969557.db2.gz DZNAVKWCMXJPNV-HSZRJFAPSA-N 1 0 694.773 5.268 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824414 561969651 /nfs/dbraw/zinc/96/96/51/561969651.db2.gz VREOYTDRIFYGEZ-HSZRJFAPSA-N 1 0 636.140 5.262 1 0 KKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000028825218 561970551 /nfs/dbraw/zinc/97/05/51/561970551.db2.gz WCTPDNWSGMTDLQ-UOSBZTQKSA-N 1 0 652.905 6.609 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879282 561976308 /nfs/dbraw/zinc/97/63/08/561976308.db2.gz ULTXWBYNFDFCHD-FQLXRVMXSA-N 1 0 604.188 6.383 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 ZINC000028825773 561970952 /nfs/dbraw/zinc/97/09/52/561970952.db2.gz GWQJQMUYAJRYAV-AZGAKELHSA-N 1 0 565.080 5.287 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3c(F)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc43)CC2)CC1 ZINC000028826070 561971117 /nfs/dbraw/zinc/97/11/17/561971117.db2.gz ZQPNUHLMKKJBQM-UHFFFAOYSA-N 1 0 644.275 9.075 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827012 561971529 /nfs/dbraw/zinc/97/15/29/561971529.db2.gz WGNKVNLUAVGKQK-WUFINQPMSA-N 1 0 565.607 5.710 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)cc1 ZINC000028827032 561971530 /nfs/dbraw/zinc/97/15/30/561971530.db2.gz NZXXSPTYMKQRAI-AJQTZOPKSA-N 1 0 679.711 5.627 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879673 561976432 /nfs/dbraw/zinc/97/64/32/561976432.db2.gz QRUVSTZLYGAOFS-IZZNHLLZSA-N 1 0 582.113 5.598 1 0 KKAFRO CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028864630 561973198 /nfs/dbraw/zinc/97/31/98/561973198.db2.gz YCBLLSMEKTYMNF-OUKQBFOZSA-N 1 0 677.875 6.975 1 0 KKAFRO CCCCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874919 561975446 /nfs/dbraw/zinc/97/54/46/561975446.db2.gz RHXCECMKFJHNGV-LJAQVGFWSA-N 1 0 550.744 5.167 1 0 KKAFRO O=C(OC[C@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880517 561976748 /nfs/dbraw/zinc/97/67/48/561976748.db2.gz PHVSXWGGJQKCLX-XMMPIXPASA-N 1 0 550.096 5.076 1 0 KKAFRO O=C(OC[C@@H]1CCc2c(F)cc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880432 561976761 /nfs/dbraw/zinc/97/67/61/561976761.db2.gz HBGHSOQXDLWDPG-QFIPXVFZSA-N 1 0 568.086 5.215 1 0 KKAFRO CC(C)(OC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[C@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880595 561976775 /nfs/dbraw/zinc/97/67/75/561976775.db2.gz HSHATGMVTYSDEB-WDYNHAJCSA-N 1 0 606.204 6.629 1 0 KKAFRO CN(C)c1cc2cc([nH+]1)CCCn1cc(c3ccccc31)C1=C(c3cn(c4ccccc34)CCC2)C(=O)NC1=O ZINC000028881945 561977124 /nfs/dbraw/zinc/97/71/24/561977124.db2.gz HCTDQRULARFYTB-UHFFFAOYSA-N 1 0 529.644 5.203 1 0 KKAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NCCCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887232 561977820 /nfs/dbraw/zinc/97/78/20/561977820.db2.gz VQUKMVMBKDTJKD-MHZLTWQESA-N 1 0 581.548 5.716 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 ZINC000028887487 561977908 /nfs/dbraw/zinc/97/79/08/561977908.db2.gz DUHCBIIVYFQPKC-QHCPKHFHSA-N 1 0 632.693 8.680 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cc(OCC[NH+]3CCCCC3)ccc2[nH]c1-c1ccccc1 ZINC000028892255 561978272 /nfs/dbraw/zinc/97/82/72/561978272.db2.gz QCKGPLDJMIKRJD-XMMPIXPASA-N 1 0 525.693 6.085 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cc(OCCCCC[NH+]3CCCCC3)ccc2[nH]c1-c1ccccc1 ZINC000028892270 561978279 /nfs/dbraw/zinc/97/82/79/561978279.db2.gz IXHKQKNNYNMMIN-HHHXNRCGSA-N 1 0 567.774 7.256 1 0 KKAFRO COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](C)c3ccco3)sc21 ZINC000028901688 561980064 /nfs/dbraw/zinc/98/00/64/561980064.db2.gz MNRSOCSLHRGHDZ-GOSISDBHSA-N 1 0 528.074 5.121 1 0 KKAFRO COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(OCc6ccccc6)cc45)C3)nc2c1 ZINC000028951154 561981416 /nfs/dbraw/zinc/98/14/16/561981416.db2.gz VUBJBYTZSTWDPM-UIOOFZCWSA-N 1 0 520.677 6.745 1 0 KKAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 ZINC000028958035 561983557 /nfs/dbraw/zinc/98/35/57/561983557.db2.gz BGHYFJPSEDCVLZ-YTTGMZPUSA-N 1 0 670.810 5.999 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@@H]3CCCC[N@H+]3CC(C)C)n2)s1 ZINC000028961214 561984059 /nfs/dbraw/zinc/98/40/59/561984059.db2.gz OYFNKNKHBNWRMV-QFIPXVFZSA-N 1 0 598.695 7.445 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000028961575 561984351 /nfs/dbraw/zinc/98/43/51/561984351.db2.gz SJGUSHZGMIQWAW-UHFFFAOYSA-N 1 0 588.862 6.283 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+]2CC[C@H](C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000028961725 561984438 /nfs/dbraw/zinc/98/44/38/561984438.db2.gz ATYOFXVORANGGC-JONXMXLVSA-N 1 0 630.899 6.304 1 0 KKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000028967702 561985358 /nfs/dbraw/zinc/98/53/58/561985358.db2.gz HMLAFIOESYVCJA-UHFFFAOYSA-N 1 0 548.590 6.240 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCC1 ZINC000028967816 561985362 /nfs/dbraw/zinc/98/53/62/561985362.db2.gz DGSLFPMHFOWLJO-RPWUZVMVSA-N 1 0 512.679 6.475 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]CCc3ccncc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976358 561986833 /nfs/dbraw/zinc/98/68/33/561986833.db2.gz PBWSJHXWVMJUOO-GDLZYMKVSA-N 1 0 535.673 5.321 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5ncc6c5ncnc6N)CC4)cc3)nc2n1 ZINC000029037319 561988446 /nfs/dbraw/zinc/98/84/46/561988446.db2.gz MAMNMVNADHVXSH-UHFFFAOYSA-N 1 0 559.703 5.640 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039294 561989580 /nfs/dbraw/zinc/98/95/80/561989580.db2.gz TVUMGACZYNEAHR-SUUTYIOQSA-N 1 0 556.094 5.216 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000029040108 561990429 /nfs/dbraw/zinc/99/04/29/561990429.db2.gz VNMQSFGXHMQIMW-XMMPIXPASA-N 1 0 512.538 6.636 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)C(C)(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041038 561990902 /nfs/dbraw/zinc/99/09/02/561990902.db2.gz FQUPYLMXSGFHKX-FQLPYIGMSA-N 1 0 539.164 5.384 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)C3CCC3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041183 561991066 /nfs/dbraw/zinc/99/10/66/561991066.db2.gz PXPQDTMYWPFLRO-IGBKUBFESA-N 1 0 537.148 5.138 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044509 561992257 /nfs/dbraw/zinc/99/22/57/561992257.db2.gz ORHKJNWCYHCDSW-KREPMNCTSA-N 1 0 541.614 5.086 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000029044688 561992272 /nfs/dbraw/zinc/99/22/72/561992272.db2.gz WBODQQAWQLKCCK-LZCMNWNNSA-N 1 0 529.578 5.217 1 0 KKAFRO O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045301 561992521 /nfs/dbraw/zinc/99/25/21/561992521.db2.gz ADCWDMMOFNYAJK-DBXZWAMYSA-N 1 0 554.504 5.562 1 0 KKAFRO CC(=O)NC[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029045921 561992705 /nfs/dbraw/zinc/99/27/05/561992705.db2.gz OIDRKZCFSVOPSB-UQXBXQHDSA-N 1 0 552.641 5.221 1 0 KKAFRO C[NH+](C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000029048276 561993437 /nfs/dbraw/zinc/99/34/37/561993437.db2.gz AUSYXSAYCHFBCG-UHFFFAOYSA-N 1 0 570.477 5.350 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)[NH2+]C3CCCC3)c2=O)c1F ZINC000029048081 561993494 /nfs/dbraw/zinc/99/34/94/561993494.db2.gz DPZXJEKKYPDJHQ-INIZCTEOSA-N 1 0 551.556 5.260 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](CCc3ccccc3)CC[NH2+]2)c1 ZINC000029128926 562001396 /nfs/dbraw/zinc/00/13/96/562001396.db2.gz KBVPZKQXFAMKSU-IIFCFJOHSA-N 1 0 619.797 6.238 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cocn4)c3=O)CC2)C(C)C)c1 ZINC000029061972 561995920 /nfs/dbraw/zinc/99/59/20/561995920.db2.gz TUJJXSMSKFHTFP-NDEPHWFRSA-N 1 0 518.658 5.287 1 0 KKAFRO O=C(NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)[C@H]1CCC[NH2+]1 ZINC000029125531 561997717 /nfs/dbraw/zinc/99/77/17/561997717.db2.gz NXQSPQDDZFXLND-XMMPIXPASA-N 1 0 556.877 5.865 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(n5c6cccnc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125658 561997796 /nfs/dbraw/zinc/99/77/96/561997796.db2.gz FLLYSDWXMXBDLY-UHFFFAOYSA-N 1 0 560.687 5.391 1 0 KKAFRO Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029126854 561999131 /nfs/dbraw/zinc/99/91/31/561999131.db2.gz WCRUEPKTOWQCQO-UHFFFAOYSA-N 1 0 502.014 5.660 1 0 KKAFRO CCc1nc2cc3c(c(C)c2o1)CC[N@@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126988 561999184 /nfs/dbraw/zinc/99/91/84/561999184.db2.gz VNUWHBRXYDCOFA-FQEVSTJZSA-N 1 0 540.737 6.322 1 0 KKAFRO COc1ccc([C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127063 561999369 /nfs/dbraw/zinc/99/93/69/561999369.db2.gz PHOVRFFBNBIKQH-HMINTENPSA-N 1 0 505.618 5.032 1 0 KKAFRO Cn1c2cc(OCCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029127166 561999508 /nfs/dbraw/zinc/99/95/08/561999508.db2.gz SJIUAJVZBGNRFY-UHFFFAOYSA-N 1 0 503.986 5.106 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127465 561999869 /nfs/dbraw/zinc/99/98/69/561999869.db2.gz RLYPJRVMOKDHBV-UHFFFAOYSA-N 1 0 540.737 5.286 1 0 KKAFRO CC[NH+](CC)C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000029127681 562000076 /nfs/dbraw/zinc/00/00/76/562000076.db2.gz YWEJXMRKAAFWNX-HKBQPEDESA-N 1 0 550.744 5.671 1 0 KKAFRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C[NH+]3CCCCC3)C2)cc1 ZINC000029128157 562000538 /nfs/dbraw/zinc/00/05/38/562000538.db2.gz DOLSDPWCNNSYNQ-YTTGMZPUSA-N 1 0 562.755 5.815 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1 ZINC000029130309 562002416 /nfs/dbraw/zinc/00/24/16/562002416.db2.gz VXLNOYAINXJRCV-UHFFFAOYSA-N 1 0 596.674 6.888 1 0 KKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000029130401 562002586 /nfs/dbraw/zinc/00/25/86/562002586.db2.gz VGQVERFTHHEIEQ-NSJVFKKDSA-N 1 0 528.718 5.494 1 0 KKAFRO COc1ccccc1Oc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2)c1 ZINC000029133367 562003690 /nfs/dbraw/zinc/00/36/90/562003690.db2.gz WUCNLBAXCJABQR-UHFFFAOYSA-N 1 0 505.058 6.659 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029215134 562006377 /nfs/dbraw/zinc/00/63/77/562006377.db2.gz OXSCWQUFMCTAJL-RWYGWLOXSA-N 1 0 743.909 5.404 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029215142 562006415 /nfs/dbraw/zinc/00/64/15/562006415.db2.gz OXSCWQUFMCTAJL-VQJSHJPSSA-N 1 0 743.909 5.404 1 0 KKAFRO O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 ZINC000029224469 562007886 /nfs/dbraw/zinc/00/78/86/562007886.db2.gz CMMXVQAMBOUFED-UHFFFAOYSA-N 1 0 590.400 7.390 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 ZINC000029330398 562013753 /nfs/dbraw/zinc/01/37/53/562013753.db2.gz DSXYRINTWYCUIR-PMERELPUSA-N 1 0 560.720 5.526 1 0 KKAFRO CCCCC1(CCCC)C[N@@H+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000029404637 562020438 /nfs/dbraw/zinc/02/04/38/562020438.db2.gz REWMMSRDWPLSDM-ZULJPCJZSA-N 1 0 529.806 6.204 1 0 KKAFRO C[NH+](C)CCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029393282 562017927 /nfs/dbraw/zinc/01/79/27/562017927.db2.gz DQBBVQXMZLHEOK-SHQCIBLASA-N 1 0 530.521 5.747 1 0 KKAFRO C[NH+](CCCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCCNc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000029403999 562020253 /nfs/dbraw/zinc/02/02/53/562020253.db2.gz OZYKZHTVCKMZAG-UHFFFAOYSA-N 1 0 515.276 6.289 1 0 KKAFRO CCCN(CCC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029409937 562021493 /nfs/dbraw/zinc/02/14/93/562021493.db2.gz HPINLEOMRRRQAD-UHFFFAOYSA-N 1 0 658.953 7.904 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)c4cnccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029413361 562022325 /nfs/dbraw/zinc/02/23/25/562022325.db2.gz YHIBXEIBSOLHKK-FQEVSTJZSA-N 1 0 532.044 5.831 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(CC(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029414257 562022554 /nfs/dbraw/zinc/02/25/54/562022554.db2.gz XLRMYACURZHCTL-UHFFFAOYSA-N 1 0 574.791 5.609 1 0 KKAFRO CCOC(=O)[C@@H](C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417471 562023272 /nfs/dbraw/zinc/02/32/72/562023272.db2.gz SDKYLZYCEWRREX-VWLOTQADSA-N 1 0 589.802 6.645 1 0 KKAFRO CCOC(=O)C1=C(COCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029463663 562023528 /nfs/dbraw/zinc/02/35/28/562023528.db2.gz LKVXLSYXZNNVFV-PTBNBFCCSA-N 1 0 602.559 5.619 1 0 KKAFRO CCN(CCO)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029463227 562023542 /nfs/dbraw/zinc/02/35/42/562023542.db2.gz STAWMTJSUZISPR-UHFFFAOYSA-N 1 0 512.698 5.456 1 0 KKAFRO CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029464333 562023682 /nfs/dbraw/zinc/02/36/82/562023682.db2.gz JZIPIPBPNKZXLP-UHFFFAOYSA-N 1 0 590.856 8.213 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029464978 562024065 /nfs/dbraw/zinc/02/40/65/562024065.db2.gz UQMILXFLXOSGFZ-KAYWLYCHSA-N 1 0 614.856 6.991 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029464994 562024072 /nfs/dbraw/zinc/02/40/72/562024072.db2.gz FUNSVWNYPBWHOX-UHFFFAOYSA-N 1 0 602.801 5.451 1 0 KKAFRO CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029470440 562025425 /nfs/dbraw/zinc/02/54/25/562025425.db2.gz CQBWKRQJPJUWGX-UHFFFAOYSA-N 1 0 559.176 7.984 1 0 KKAFRO CC(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000029472487 562025816 /nfs/dbraw/zinc/02/58/16/562025816.db2.gz DBMONIIDEMHTQO-UHFFFAOYSA-N 1 0 515.673 5.676 1 0 KKAFRO O=C(CCCN1c2ccccc2C(C2CCCCC2)=NCC1=O)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000029481012 562027389 /nfs/dbraw/zinc/02/73/89/562027389.db2.gz QAAOXOFBHZFKKL-UHFFFAOYSA-N 1 0 569.794 6.276 1 0 KKAFRO CC[C@H]1CCC[C@@H](CCOc2c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c(=O)c2-c2cc(C)cc(C)c2)[NH2+]1 ZINC000029474562 562026226 /nfs/dbraw/zinc/02/62/26/562026226.db2.gz LOMBPLWSHUPNFD-VXKWHMMOSA-N 1 0 560.098 6.610 1 0 KKAFRO O=C1N(COCc2ccccc2)CN(c2ccccc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029479781 562027017 /nfs/dbraw/zinc/02/70/17/562027017.db2.gz NTHIRIXYFVSLSL-UHFFFAOYSA-N 1 0 596.722 6.808 1 0 KKAFRO COc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000029545647 562029752 /nfs/dbraw/zinc/02/97/52/562029752.db2.gz XITFJVUYVFILBW-MHZLTWQESA-N 1 0 527.492 6.083 1 0 KKAFRO COc1ccc(COC(=O)C2(C(=O)OCc3ccc(OC)cc3)Oc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4cccc(Cl)c4)cc3O2)cc1 ZINC000029561052 562033216 /nfs/dbraw/zinc/03/32/16/562033216.db2.gz JQHNDVOWHLAYCA-IPBJYNAHSA-N 1 0 662.135 5.566 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1 ZINC000029551546 562031157 /nfs/dbraw/zinc/03/11/57/562031157.db2.gz IKTFQNGZGUOWLG-GFRPZHATSA-N 1 0 668.835 6.077 1 0 KKAFRO CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](CCCc1ccccc1)CCCc1ccccc1)C(=O)C(F)(F)F ZINC000029553773 562031697 /nfs/dbraw/zinc/03/16/97/562031697.db2.gz WKQSQQHHTZBHTH-NGDRWEMDSA-N 1 0 601.754 5.842 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)CCC3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555092 562031945 /nfs/dbraw/zinc/03/19/45/562031945.db2.gz XYVHGSPNHFSKDW-PMERELPUSA-N 1 0 532.706 5.773 1 0 KKAFRO CCCC(O)(CCC)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029554828 562031964 /nfs/dbraw/zinc/03/19/64/562031964.db2.gz VQBKCXBPQSWWAZ-VWLOTQADSA-N 1 0 533.584 7.283 1 0 KKAFRO Cc1cccc(CCOC(=O)C2(C(=O)OCCc3cccc(C)c3)Oc3ccc(C[C@@H](C)[NH2+]C[C@H](O)c4cccc(Cl)c4)cc3O2)c1 ZINC000029556619 562032239 /nfs/dbraw/zinc/03/22/39/562032239.db2.gz MWEFSMSQCOMYLU-SYBRLPANSA-N 1 0 658.191 6.250 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c2nccc(C)c2c1 ZINC000029562664 562033561 /nfs/dbraw/zinc/03/35/61/562033561.db2.gz REQVUCLZYUWCDA-UHFFFAOYSA-N 1 0 566.790 6.948 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccc(C)c2c1 ZINC000029566270 562034481 /nfs/dbraw/zinc/03/44/81/562034481.db2.gz IJQXIYANWHOYEK-UMSFTDKQSA-N 1 0 557.182 7.585 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000029566453 562034519 /nfs/dbraw/zinc/03/45/19/562034519.db2.gz DKIKWFPJWNCAOP-YTTGMZPUSA-N 1 0 607.761 6.087 1 0 KKAFRO COc1cc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000029568268 562034921 /nfs/dbraw/zinc/03/49/21/562034921.db2.gz XJPBQLMSTXKBKW-UHFFFAOYSA-N 1 0 518.633 5.369 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)C(C)(C)O2 ZINC000029568690 562035061 /nfs/dbraw/zinc/03/50/61/562035061.db2.gz VCBUSSFRFSIRMS-WMGNFNAESA-N 1 0 612.792 7.313 1 0 KKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037373 /nfs/dbraw/zinc/03/73/73/562037373.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 1 0 500.687 5.005 1 0 KKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(C(F)(F)F)cc1 ZINC000034039003 562038063 /nfs/dbraw/zinc/03/80/63/562038063.db2.gz VGEMBQMSELNKPV-UHFFFAOYSA-N 1 0 508.584 7.254 1 0 KKAFRO CS(=O)(=O)c1ccc(OP(=O)(Oc2ccc(S(C)(=O)=O)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034717880 562039991 /nfs/dbraw/zinc/03/99/91/562039991.db2.gz NKKHYCKPVFOIAT-NDEPHWFRSA-N 1 0 686.705 5.075 1 0 KKAFRO NC(=[NH2+])Nc1ccc([C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)cc1 ZINC000034717876 562040000 /nfs/dbraw/zinc/04/00/00/562040000.db2.gz CXIZSJWDKLZFNQ-UUWRZZSWSA-N 1 0 630.641 8.574 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(CC(=O)OC)cc3)cc2)cc1 ZINC000034802854 562042225 /nfs/dbraw/zinc/04/22/25/562042225.db2.gz OMHINHHMZYKPLC-UHFFFAOYSA-N 1 0 584.845 8.346 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NC(=O)c3cnccn3)cc2)cc1 ZINC000034802960 562042365 /nfs/dbraw/zinc/04/23/65/562042365.db2.gz DGFMTBRHWQHOLH-UHFFFAOYSA-N 1 0 557.783 7.006 1 0 KKAFRO Cc1ccc(CC(C)(C)[C@@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)o1 ZINC000034803847 562042674 /nfs/dbraw/zinc/04/26/74/562042674.db2.gz RFOCKHDQNXMQBS-QXNWPYRLSA-N 1 0 534.660 6.385 1 0 KKAFRO CC(C)(Cc1ccccn1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803885 562042831 /nfs/dbraw/zinc/04/28/31/562042831.db2.gz BTXOZSOPQCVUNK-QXNWPYRLSA-N 1 0 531.660 5.878 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 ZINC000034804286 562043047 /nfs/dbraw/zinc/04/30/47/562043047.db2.gz GKIYQHDLNRLZLS-MHZLTWQESA-N 1 0 578.641 7.988 1 0 KKAFRO COc1cc([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000034961431 562044189 /nfs/dbraw/zinc/04/41/89/562044189.db2.gz OFSNSRZUEWQAFB-GHTZIAJQSA-N 1 0 525.642 5.398 1 0 KKAFRO CC[NH+](CC)CCCOc1ccccc1[C@@H](C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175756 562048976 /nfs/dbraw/zinc/04/89/76/562048976.db2.gz RDQGKWOYWXMOBW-HXUWFJFHSA-N 1 0 537.072 6.685 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175773 562048993 /nfs/dbraw/zinc/04/89/93/562048993.db2.gz GVQOZPIUVJHSCK-NRFANRHFSA-N 1 0 533.521 6.815 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000036175796 562049012 /nfs/dbraw/zinc/04/90/12/562049012.db2.gz GPHKYWKJDLRMFR-JOCHJYFZSA-N 1 0 532.628 6.527 1 0 KKAFRO CC(C)(C)NC(=O)Nc1cccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c21 ZINC000036176882 562049392 /nfs/dbraw/zinc/04/93/92/562049392.db2.gz RQIXEOXMOHDTLC-UHFFFAOYSA-N 1 0 514.678 5.481 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036177586 562049432 /nfs/dbraw/zinc/04/94/32/562049432.db2.gz HWBDUMFRVQEBPH-PKNBQFBNSA-N 1 0 537.919 6.186 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C)ncn2)cc1 ZINC000036187636 562050717 /nfs/dbraw/zinc/05/07/17/562050717.db2.gz ORUKHTZASKBQDW-UHFFFAOYSA-N 1 0 614.751 6.455 1 0 KKAFRO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[NH+](C)C)c2c1=O ZINC000035836995 562045538 /nfs/dbraw/zinc/04/55/38/562045538.db2.gz QWXQHEJVLSGXPM-UHFFFAOYSA-N 1 0 506.624 5.034 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000035922968 562045772 /nfs/dbraw/zinc/04/57/72/562045772.db2.gz FGDJVYHIWKDZEM-UHFFFAOYSA-N 1 0 502.062 6.319 1 0 KKAFRO CC(C)C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036284790 562053460 /nfs/dbraw/zinc/05/34/60/562053460.db2.gz XGEGHRUJBTWJCS-UVQPCEMDSA-N 1 0 579.229 5.933 1 0 KKAFRO CC(C)C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284786 562053462 /nfs/dbraw/zinc/05/34/62/562053462.db2.gz XGEGHRUJBTWJCS-JIZBBPSKSA-N 1 0 579.229 5.933 1 0 KKAFRO CC(C)C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036284794 562053481 /nfs/dbraw/zinc/05/34/81/562053481.db2.gz XGEGHRUJBTWJCS-AFEGNUHBSA-N 1 0 579.229 5.933 1 0 KKAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H](C[NH2+]C2CCC2)CC2CCCCC2)CC1 ZINC000036284920 562053629 /nfs/dbraw/zinc/05/36/29/562053629.db2.gz QDOQJKGCPCRRMX-JBIUIVRGSA-N 1 0 620.282 5.420 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)cc2Cl)CC1 ZINC000036285405 562054070 /nfs/dbraw/zinc/05/40/70/562054070.db2.gz SILNTLFKAKKABH-GKVSMKOHSA-N 1 0 512.016 5.695 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000036285461 562054243 /nfs/dbraw/zinc/05/42/43/562054243.db2.gz DWGHGPMZSFXSGH-QFIPXVFZSA-N 1 0 515.542 6.052 1 0 KKAFRO CCOc1cccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285714 562054326 /nfs/dbraw/zinc/05/43/26/562054326.db2.gz FGPYYVRPPVIISD-NLFFAJNJSA-N 1 0 505.625 5.677 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000036285699 562054370 /nfs/dbraw/zinc/05/43/70/562054370.db2.gz CAWFJTGOUOKIJP-DEOSSOPVSA-N 1 0 500.609 5.524 1 0 KKAFRO COc1cc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)ccc1Cl ZINC000036285755 562054569 /nfs/dbraw/zinc/05/45/69/562054569.db2.gz YIUVYPLGMPCBAC-MBSDFSHPSA-N 1 0 526.043 5.941 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000036310768 562055038 /nfs/dbraw/zinc/05/50/38/562055038.db2.gz POQAFSKCCQVOAP-DWACAAAGSA-N 1 0 569.681 5.215 1 0 KKAFRO O=C1CC[C@@H](C[NH2+][C@H]2CC[C@@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)N1 ZINC000036324439 562055472 /nfs/dbraw/zinc/05/54/72/562055472.db2.gz XFSJGZVARSALDD-NNXSRULWSA-N 1 0 500.483 5.424 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2c(ncn2Cc2c(Cl)cccc2Cl)c(Br)c1 ZINC000036330275 562055535 /nfs/dbraw/zinc/05/55/35/562055535.db2.gz FHVXFCIEMXSRJD-UHFFFAOYSA-N 1 0 590.377 6.054 1 0 KKAFRO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[N@H+](CC)Cc3ccccc3)c2c1=O ZINC000036331648 562056734 /nfs/dbraw/zinc/05/67/34/562056734.db2.gz CFLDETIROACOKJ-UHFFFAOYSA-N 1 0 596.749 6.994 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc21 ZINC000036349221 562057834 /nfs/dbraw/zinc/05/78/34/562057834.db2.gz SFSGLZYSWHPYBC-UUWRZZSWSA-N 1 0 609.778 6.755 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000036351476 562058306 /nfs/dbraw/zinc/05/83/06/562058306.db2.gz CZSUCMAQMLGPBX-JSOSNVBQSA-N 1 0 627.151 6.931 1 0 KKAFRO COc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351549 562058507 /nfs/dbraw/zinc/05/85/07/562058507.db2.gz GCGBTYFYLYFXGB-KODFZCBSSA-N 1 0 515.073 5.079 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc4cccnc43)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351655 562058954 /nfs/dbraw/zinc/05/89/54/562058954.db2.gz WTHCAMVZYWWKJH-PSXMRANNSA-N 1 0 613.633 8.401 1 0 KKAFRO O=C(CN1CCc2cc(-c3ccccc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351690 562058993 /nfs/dbraw/zinc/05/89/93/562058993.db2.gz COYFWRQZIIDGFN-MGBGTMOVSA-N 1 0 562.585 7.853 1 0 KKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2ccc(Br)cc2)cc1C ZINC000036351798 562059297 /nfs/dbraw/zinc/05/92/97/562059297.db2.gz IEJFFMAPQSUQIU-UHFFFAOYSA-N 1 0 551.485 6.328 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCC[NH+]3CCCC3)ncc2c1 ZINC000036758592 562061494 /nfs/dbraw/zinc/06/14/94/562061494.db2.gz RKNYQDPVAHZMFZ-UHFFFAOYSA-N 1 0 533.598 6.692 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@H]1c1ccc(Br)cc1 ZINC000038139872 562062709 /nfs/dbraw/zinc/06/27/09/562062709.db2.gz AUKAZWAZMPOWHQ-MHZLTWQESA-N 1 0 594.506 5.625 3 0 KKAFRO C[C@H]1C[N@H+](C/C=C/c2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147749 562065570 /nfs/dbraw/zinc/06/55/70/562065570.db2.gz ASBPTJRKOKLUNT-XQKJNEPASA-N 1 0 508.706 6.310 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000038157239 562068591 /nfs/dbraw/zinc/06/85/91/562068591.db2.gz FJGKVFWXFGAENH-OFVILXPXSA-N 1 0 559.585 5.799 1 0 KKAFRO O=c1ccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c[nH]1 ZINC000038157854 562069555 /nfs/dbraw/zinc/06/95/55/562069555.db2.gz ZXKSAIRBLNKHSW-UHFFFAOYSA-N 1 0 522.546 6.384 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000038276156 562070751 /nfs/dbraw/zinc/07/07/51/562070751.db2.gz YVMRZYPIAAUZMZ-LOSJGSFVSA-N 1 0 523.073 5.489 1 0 KKAFRO C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCN2CC[NH+](C)CC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377629 562071515 /nfs/dbraw/zinc/07/15/15/562071515.db2.gz NUKCQDDVORQLDB-OLILMLBXSA-N 1 0 706.456 6.109 1 0 KKAFRO C[NH+](C)CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377664 562071623 /nfs/dbraw/zinc/07/16/23/562071623.db2.gz JRZMBZBPVQMTFT-SANMLTNESA-N 1 0 651.376 6.252 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CC[NH2+]CC3)cc2)C(=O)Cc2ccccc2)c1 ZINC000040403119 562074691 /nfs/dbraw/zinc/07/46/91/562074691.db2.gz LGCLDAOGSOUDEH-UHFFFAOYSA-N 1 0 533.716 5.581 1 0 KKAFRO CCN(C(=O)Cc1cccc(Cl)c1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380041 562073424 /nfs/dbraw/zinc/07/34/24/562073424.db2.gz BKSQFACSRZWUHK-DFHRPNOPSA-N 1 0 510.122 5.632 1 0 KKAFRO CCN(C(=O)C(C)(C)c1ccccc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380428 562073465 /nfs/dbraw/zinc/07/34/65/562073465.db2.gz HUSIYLIXVFOCGJ-OUTSHDOLSA-N 1 0 503.731 5.713 1 0 KKAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C(C)C)CC1 ZINC000040379856 562073468 /nfs/dbraw/zinc/07/34/68/562073468.db2.gz XHJJLDTUNPMPBX-XMMPIXPASA-N 1 0 504.502 5.480 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)[nH]1 ZINC000040404368 562074876 /nfs/dbraw/zinc/07/48/76/562074876.db2.gz ATEQNOXHLBHSBB-UHFFFAOYSA-N 1 0 508.022 6.863 1 0 KKAFRO CCN(C)c1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C(=[NH2+])N(C)C)cc1 ZINC000040408468 562075027 /nfs/dbraw/zinc/07/50/27/562075027.db2.gz ODLWWQOWIVBTEZ-UHFFFAOYSA-N 1 0 513.429 5.236 1 0 KKAFRO COC(=O)C1CC[NH+](CCOc2ccc([C@@]3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 ZINC000040408192 562075037 /nfs/dbraw/zinc/07/50/37/562075037.db2.gz IZWWWUWUHNOEGL-HKBQPEDESA-N 1 0 518.629 5.121 1 0 KKAFRO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4cccc5cccc(c45)C3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040420264 562075571 /nfs/dbraw/zinc/07/55/71/562075571.db2.gz AFRODRJMTDVWIX-BIWWMPFASA-N 1 0 512.609 6.266 1 0 KKAFRO CC[NH+](CC)C[C@H](O)CSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040422443 562075973 /nfs/dbraw/zinc/07/59/73/562075973.db2.gz LLMCAXLJBYLHOZ-GMAHTHKFSA-N 1 0 514.679 5.868 1 0 KKAFRO N[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040568416 562078111 /nfs/dbraw/zinc/07/81/11/562078111.db2.gz KYSQZRXWHAPYOE-JOCHJYFZSA-N 1 0 511.510 5.118 1 0 KKAFRO COc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567681 562078164 /nfs/dbraw/zinc/07/81/64/562078164.db2.gz SSZUGNCZYQRLDG-UHFFFAOYSA-N 1 0 514.588 7.131 1 0 KKAFRO O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000040827837 562079973 /nfs/dbraw/zinc/07/99/73/562079973.db2.gz KXHUUIJDLZRBQX-VXMNRCMCSA-N 1 0 521.701 6.475 1 0 KKAFRO CC[NH+](CC)Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040860186 562080709 /nfs/dbraw/zinc/08/07/09/562080709.db2.gz DSJMWSZZVBLHLI-UHFFFAOYSA-N 1 0 519.493 7.315 1 0 KKAFRO CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000040863505 562081100 /nfs/dbraw/zinc/08/11/00/562081100.db2.gz AROUWIMOXIPEQX-SVEHJYQDSA-N 1 0 504.700 5.029 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000040865145 562081187 /nfs/dbraw/zinc/08/11/87/562081187.db2.gz JRGQZQQTSQNVKL-INIZCTEOSA-N 1 0 522.652 5.149 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040935986 562085121 /nfs/dbraw/zinc/08/51/21/562085121.db2.gz DBJFGLLLLSGPOT-UHFFFAOYSA-N 1 0 529.084 6.710 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040936219 562085138 /nfs/dbraw/zinc/08/51/38/562085138.db2.gz VRZJRRFRFQRESG-ZRZAMGCNSA-N 1 0 501.646 5.359 1 0 KKAFRO O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937371 562085402 /nfs/dbraw/zinc/08/54/02/562085402.db2.gz VKLJOUGRSNUTNZ-XMMPIXPASA-N 1 0 521.652 6.299 1 0 in-vitro KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCCC1 ZINC000040951049 562086008 /nfs/dbraw/zinc/08/60/08/562086008.db2.gz MQIGEJLZKVQZSL-LADGPHEKSA-N 1 0 526.690 6.012 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952144 562086143 /nfs/dbraw/zinc/08/61/43/562086143.db2.gz HMYAEJVTRKONJY-GMAHTHKFSA-N 1 0 512.663 5.622 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000040957620 562086970 /nfs/dbraw/zinc/08/69/70/562086970.db2.gz SWBZFFOHVHXOKJ-QZKYGZFJSA-N 1 0 508.547 5.796 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O ZINC000085596830 560063333 /nfs/dbraw/zinc/06/33/33/560063333.db2.gz OCHIDSXUVUXZLM-GGXMVOPNSA-N 1 0 543.745 6.024 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(C[C@@H]4CCCC45CCCC5)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532477 560072597 /nfs/dbraw/zinc/07/25/97/560072597.db2.gz AABJOSWGDPWIAI-MGJHEIJWSA-N 1 0 523.714 6.113 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCC(C)C)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532524 560072749 /nfs/dbraw/zinc/07/27/49/560072749.db2.gz FODZFLQQLFGKHZ-OACMKAMESA-N 1 0 521.698 5.734 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532390 560072764 /nfs/dbraw/zinc/07/27/64/560072764.db2.gz GCHYOCHSQNIWCE-VZDVRXESSA-N 1 0 509.687 5.602 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532493 560072779 /nfs/dbraw/zinc/07/27/79/560072779.db2.gz PPLPUWATLMUHBI-IISINQDCSA-N 1 0 535.725 6.124 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCC[N@@H+]2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(C)=C2OC)[C@H]4C)c1 ZINC000085532511 560072783 /nfs/dbraw/zinc/07/27/83/560072783.db2.gz YBAXYFIRBJPAFO-MDLSCIRGSA-N 1 0 575.790 7.002 1 0 biogenic,in-vitro KKAFRO CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@@H+]21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532423 560072861 /nfs/dbraw/zinc/07/28/61/560072861.db2.gz TYTHLLRPVXKIIW-WYLFRODCSA-N 1 0 559.747 6.439 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532312 560073015 /nfs/dbraw/zinc/07/30/15/560073015.db2.gz REZMSXNLULQIBG-MTSBFQQFSA-N 1 0 545.720 5.900 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3C[C@@H]3CCC4=CC[C@H](C)C[C@@H]4[C@@]35O)[C@H]2[C@@H]1C ZINC000085532241 560073030 /nfs/dbraw/zinc/07/30/30/560073030.db2.gz RWHXQYADASQZGM-MTNRTOELSA-N 1 0 531.693 5.520 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@@H+]13 ZINC000085511861 560073783 /nfs/dbraw/zinc/07/37/83/560073783.db2.gz NEKIHSCHYFCIRU-XSPVPKSASA-N 1 0 579.690 5.170 1 0 biogenic,in-vitro KKAFRO Cc1nc(NCc2ccc(C(F)(F)F)cc2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043062339 562645207 /nfs/dbraw/zinc/64/52/07/562645207.db2.gz MZKILMUYEGIFOO-HFJWLAOPSA-N 1 0 603.914 8.659 1 0 KKAFRO O=C(N[C@H](Cn1ccnc1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062447 562645213 /nfs/dbraw/zinc/64/52/13/562645213.db2.gz PFTYUXPUTSSSAS-HHHXNRCGSA-N 1 0 536.602 5.398 1 0 KKAFRO C[C@H](c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000043080625 562645838 /nfs/dbraw/zinc/64/58/38/562645838.db2.gz QGAXFYZQEFFPKG-LEWJYISDSA-N 1 0 550.497 5.548 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000043169184 562646492 /nfs/dbraw/zinc/64/64/92/562646492.db2.gz NAXULJKEABEWJM-HKBQPEDESA-N 1 0 564.711 5.011 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000043193736 562646684 /nfs/dbraw/zinc/64/66/84/562646684.db2.gz LDSNTQBMGGRIJG-UHFFFAOYSA-N 1 0 558.912 8.279 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCC3CCCCC3)cc2)n1 ZINC000043524362 562648957 /nfs/dbraw/zinc/64/89/57/562648957.db2.gz IMSADWPVDZLBLE-MHZLTWQESA-N 1 0 548.684 5.616 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc3c(c(-c4ccccc4Cl)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CC1 ZINC000043531926 562649209 /nfs/dbraw/zinc/64/92/09/562649209.db2.gz OWDUYKGBBIRFIH-UHFFFAOYSA-N 1 0 529.899 7.658 1 0 KKAFRO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1F)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000043532540 562649415 /nfs/dbraw/zinc/64/94/15/562649415.db2.gz NWEHAMQGCHTUHB-BGOLNKOXSA-N 1 0 624.550 8.310 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589888 562650066 /nfs/dbraw/zinc/65/00/66/562650066.db2.gz CKYOUSJBAOMLEO-YDOVEJIGSA-N 1 0 582.113 5.455 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000044157165 562652472 /nfs/dbraw/zinc/65/24/72/562652472.db2.gz PKEPNCXIQXADFL-PXLJZGITSA-N 1 0 610.202 7.285 1 0 KKAFRO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(C)c3C)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1 ZINC000044280869 562652936 /nfs/dbraw/zinc/65/29/36/562652936.db2.gz OOKWAKNAKCWKGD-BNHMMOKISA-N 1 0 637.821 5.835 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc(OCc6ccccc6)c(OCc6ccccc6)c5)nc4c3)nc2c1 ZINC000044305903 562653602 /nfs/dbraw/zinc/65/36/02/562653602.db2.gz POLZAHKUZBDJDN-UHFFFAOYSA-N 1 0 564.649 7.215 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1ccccc1Br ZINC000044306061 562653626 /nfs/dbraw/zinc/65/36/26/562653626.db2.gz LFWNQKMHWIOLSS-UHFFFAOYSA-N 1 0 616.560 5.875 1 0 KKAFRO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cnccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000044306105 562653628 /nfs/dbraw/zinc/65/36/28/562653628.db2.gz GDHFXVDRDHDCCN-UHFFFAOYSA-N 1 0 540.631 5.212 1 0 KKAFRO COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1OCC(C)C ZINC000044307970 562654163 /nfs/dbraw/zinc/65/41/63/562654163.db2.gz AGKIJDSUCAPQKZ-UHFFFAOYSA-N 1 0 628.235 5.877 1 0 KKAFRO CC(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000044308318 562654286 /nfs/dbraw/zinc/65/42/86/562654286.db2.gz YBAWIIPUVZKECJ-ZEQKJWHPSA-N 1 0 617.555 5.038 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(CN3CC[NH+](C4CCCC4)CC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044350870 562654414 /nfs/dbraw/zinc/65/44/14/562654414.db2.gz MYADEKXTRWYHEI-UHFFFAOYSA-N 1 0 600.611 7.533 1 0 KKAFRO CCCCC[NH+](CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000044359158 562655432 /nfs/dbraw/zinc/65/54/32/562655432.db2.gz DIHPUPINDJBECL-CQTOTRCISA-N 1 0 603.723 7.982 1 0 KKAFRO CC(C)C[NH2+]CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044360886 562655685 /nfs/dbraw/zinc/65/56/85/562655685.db2.gz IRBLDGMIGSNXLP-UHFFFAOYSA-N 1 0 565.589 6.469 1 0 KKAFRO CCCC[C@H]1C(=O)[C@@H](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388399 562656347 /nfs/dbraw/zinc/65/63/47/562656347.db2.gz KXOYWYHTSWKVEF-IZLXSDGUSA-N 1 0 552.804 5.773 1 0 KKAFRO CCCC[C@H]1C(=O)[C@H](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388393 562656357 /nfs/dbraw/zinc/65/63/57/562656357.db2.gz KXOYWYHTSWKVEF-NSOVKSMOSA-N 1 0 552.804 5.773 1 0 KKAFRO CC[N@H+](CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416755 562656985 /nfs/dbraw/zinc/65/69/85/562656985.db2.gz UPQMKAIHADRBKX-QFIPXVFZSA-N 1 0 568.187 5.988 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2c[nH]c3ccc(-c4ccccc4)cc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000045187924 562658252 /nfs/dbraw/zinc/65/82/52/562658252.db2.gz GQNGHKSJRRARNX-UHFFFAOYSA-N 1 0 527.712 7.892 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045187411 562658292 /nfs/dbraw/zinc/65/82/92/562658292.db2.gz FLYQMGNBZSBSLE-WUATYOAZSA-N 1 0 526.508 5.967 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045188998 562658379 /nfs/dbraw/zinc/65/83/79/562658379.db2.gz MKKSZEUBFZKMQM-CSKARUKUSA-N 1 0 524.536 7.386 1 0 KKAFRO c1cc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)oc1C[NH+]1CCSCC1 ZINC000045189903 562658438 /nfs/dbraw/zinc/65/84/38/562658438.db2.gz AMJSXHKFLDTIPT-UHFFFAOYSA-N 1 0 508.647 6.761 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)[NH2+][C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190173 562658453 /nfs/dbraw/zinc/65/84/53/562658453.db2.gz MRIXOSVAIGMWCR-PMACEKPBSA-N 1 0 521.621 6.206 1 0 KKAFRO O=C(Cc1ccc(NC(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)cc1)NCC[NH+]1CCCCC1 ZINC000045193397 562658678 /nfs/dbraw/zinc/65/86/78/562658678.db2.gz QFBIETZEQTWDLI-UHFFFAOYSA-N 1 0 526.464 5.763 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045193088 562658679 /nfs/dbraw/zinc/65/86/79/562658679.db2.gz PEFHORCHHWGDBL-XETPZZHUSA-N 1 0 522.904 6.297 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2cccc3ccccc32)CC1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000045193421 562658742 /nfs/dbraw/zinc/65/87/42/562658742.db2.gz MEYQORZXHPBXIZ-UHFFFAOYSA-N 1 0 531.622 7.310 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000045194379 562658794 /nfs/dbraw/zinc/65/87/94/562658794.db2.gz NUCSYJBDJZSVQV-CSKARUKUSA-N 1 0 507.437 5.282 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3nc4cc(O)ccc4[nH]3)CC2)CC1 ZINC000045195549 562658871 /nfs/dbraw/zinc/65/88/71/562658871.db2.gz JUMIFVCQKIPSBN-ONNFQVAWSA-N 1 0 527.496 6.143 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1N1CC[NH+](C)CC1 ZINC000045201270 562659020 /nfs/dbraw/zinc/65/90/20/562659020.db2.gz NSMVFEPWKGFMNQ-UHFFFAOYSA-N 1 0 519.070 6.143 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)CC2)CC1 ZINC000045201046 562659023 /nfs/dbraw/zinc/65/90/23/562659023.db2.gz NTUZTULLYYCVJJ-UHFFFAOYSA-N 1 0 522.693 6.468 1 0 KKAFRO COc1cc2c(c(Cl)c1OC)CC[N@H+](Cc1ccccc1)C[C@@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201380 562659074 /nfs/dbraw/zinc/65/90/74/562659074.db2.gz QQMFIUATCMBQRK-JOCHJYFZSA-N 1 0 518.963 6.048 1 0 KKAFRO c1ccc(Oc2ccc(Nc3ccnc(Nc4cccc(C[NH2+]CCCN5CCOCC5)c4)n3)cc2)cc1 ZINC000045202000 562659100 /nfs/dbraw/zinc/65/91/00/562659100.db2.gz OVMYADSVEDSBBN-UHFFFAOYSA-N 1 0 510.642 5.568 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@@H](c2c[nH]c3ccccc32)[C@@H](O)C1 ZINC000045202496 562659183 /nfs/dbraw/zinc/65/91/83/562659183.db2.gz KXZLPSIOZXQKOP-NQYHZCBFSA-N 1 0 500.470 5.625 1 0 KKAFRO Cc1ccccc1NC(=O)NC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045203064 562659227 /nfs/dbraw/zinc/65/92/27/562659227.db2.gz IQYYPFMAVOITMR-ZRDIBKRKSA-N 1 0 517.501 5.888 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000045226775 562659332 /nfs/dbraw/zinc/65/93/32/562659332.db2.gz SDXRGTOIFTWANP-BNCSFYMNSA-N 1 0 522.904 6.297 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4[nH]c5ccccc5c4-c4ccccc4)CC3)c2c1 ZINC000045211276 562659381 /nfs/dbraw/zinc/65/93/81/562659381.db2.gz UWHHFGJXXJGADN-LJAQVGFWSA-N 1 0 520.633 5.320 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000045228815 562659484 /nfs/dbraw/zinc/65/94/84/562659484.db2.gz KWSDDVAQTUGOSI-UHFFFAOYSA-N 1 0 523.621 5.281 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045229106 562659508 /nfs/dbraw/zinc/65/95/08/562659508.db2.gz SFEGWRQTNBLOCS-UMSFTDKQSA-N 1 0 543.752 6.391 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccc(C)cc3)c3n(c2=O)CCCC3)CC1 ZINC000045245390 562659727 /nfs/dbraw/zinc/65/97/27/562659727.db2.gz CBDCVAMCHBVLOL-UHFFFAOYSA-N 1 0 524.709 5.771 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000045245362 562659762 /nfs/dbraw/zinc/65/97/62/562659762.db2.gz YOTKDEFXCGRSLS-UHFFFAOYSA-N 1 0 500.691 5.600 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045259030 562659983 /nfs/dbraw/zinc/65/99/83/562659983.db2.gz CCWKJFUTAIMLPZ-UHFFFAOYSA-N 1 0 508.670 5.467 1 0 KKAFRO CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302197 562660591 /nfs/dbraw/zinc/66/05/91/562660591.db2.gz FTQVYVFAAPRQJU-NRFANRHFSA-N 1 0 516.629 6.863 1 0 KKAFRO Cc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045302300 562660603 /nfs/dbraw/zinc/66/06/03/562660603.db2.gz CJHQWWQYKXGFQA-UHFFFAOYSA-N 1 0 504.634 5.611 1 0 KKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)c1 ZINC000045302590 562660661 /nfs/dbraw/zinc/66/06/61/562660661.db2.gz ZFOYEFAKHZZNHL-UHFFFAOYSA-N 1 0 515.535 6.992 1 0 KKAFRO Cn1cnc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)c1 ZINC000045302627 562660665 /nfs/dbraw/zinc/66/06/65/562660665.db2.gz PCMHHNMXAPFATH-AWNIVKPZSA-N 1 0 500.662 5.405 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc1)CC2 ZINC000045302711 562660699 /nfs/dbraw/zinc/66/06/99/562660699.db2.gz UGZCENGMQDZDFY-DEOSSOPVSA-N 1 0 522.571 5.613 1 0 KKAFRO COc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000045303211 562660767 /nfs/dbraw/zinc/66/07/67/562660767.db2.gz UMWBAGDAILGKDO-UHFFFAOYSA-N 1 0 534.100 6.299 1 0 KKAFRO Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000045303119 562660801 /nfs/dbraw/zinc/66/08/01/562660801.db2.gz ZGGCVODMJJEPIW-ONNFQVAWSA-N 1 0 526.512 6.020 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000045317825 562660885 /nfs/dbraw/zinc/66/08/85/562660885.db2.gz GGBHRKPDSPZDTC-HSZRJFAPSA-N 1 0 523.621 5.281 1 0 KKAFRO CCCCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321571 562661065 /nfs/dbraw/zinc/66/10/65/562661065.db2.gz MDOBMFVRAIEFSI-LJQANCHMSA-N 1 0 511.610 5.138 1 0 KKAFRO Cc1cc(O)cc2c(C3CC[NH+](CC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c21 ZINC000045323733 562661148 /nfs/dbraw/zinc/66/11/48/562661148.db2.gz RFIKDGXPRWAPSN-HWKANZROSA-N 1 0 526.508 6.620 1 0 KKAFRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045324852 562661236 /nfs/dbraw/zinc/66/12/36/562661236.db2.gz WKHROYMXFJFFOD-UHFFFAOYSA-N 1 0 508.591 5.006 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045334501 562661283 /nfs/dbraw/zinc/66/12/83/562661283.db2.gz CUCKSUFPXYIBLI-JBOJMBJVSA-N 1 0 524.536 7.386 1 0 KKAFRO Oc1cc(-c2[nH]c(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)nc2-c2ccncc2)ccc1Cl ZINC000045334976 562661355 /nfs/dbraw/zinc/66/13/55/562661355.db2.gz UMKVYGIGRBCDBA-UHFFFAOYSA-N 1 0 507.465 7.143 1 0 KKAFRO C[NH+]1CCC([C@@H](c2ccc(Cl)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365032 562662036 /nfs/dbraw/zinc/66/20/36/562662036.db2.gz QUDJCWKOPXBSPH-JGCGQSQUSA-N 1 0 516.129 6.089 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOCC2(C)C)C1 ZINC000045505698 562662843 /nfs/dbraw/zinc/66/28/43/562662843.db2.gz MKWXOPNMYPINDJ-VIZSFHNOSA-N 1 0 508.547 5.940 1 0 KKAFRO CC[C@@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)c(N4CC[NH+](CC5CC5)CC4)c3)cc2)cc1 ZINC000048307295 562662853 /nfs/dbraw/zinc/66/28/53/562662853.db2.gz TUUZZFRUFZPDTB-HSZRJFAPSA-N 1 0 576.763 5.794 1 0 KKAFRO O=C(NCc1ccccc1)N[C@@H](CCC[NH+]1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307325 562662937 /nfs/dbraw/zinc/66/29/37/562662937.db2.gz BZHDEWLIFSTTHO-NDEPHWFRSA-N 1 0 560.953 7.511 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307342 562663010 /nfs/dbraw/zinc/66/30/10/562663010.db2.gz BTGARQGHTCRAIZ-CTSIERMWSA-N 1 0 581.544 6.981 1 0 KKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)cc1 ZINC000048308898 562663161 /nfs/dbraw/zinc/66/31/61/562663161.db2.gz BVSWRDJFHGJWQP-UHFFFAOYSA-N 1 0 535.591 6.609 1 0 KKAFRO O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049837 562663767 /nfs/dbraw/zinc/66/37/67/562663767.db2.gz IHOVJSHWHKBKCL-FYBSXPHGSA-N 1 0 521.488 6.436 1 0 KKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049833 562663782 /nfs/dbraw/zinc/66/37/82/562663782.db2.gz IHOVJSHWHKBKCL-RNAHPLFWSA-N 1 0 521.488 6.436 1 0 KKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054484 562663846 /nfs/dbraw/zinc/66/38/46/562663846.db2.gz VKEKQOWZBFVSMP-BHBYDHKZSA-N 1 0 520.595 6.148 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000049112278 562664603 /nfs/dbraw/zinc/66/46/03/562664603.db2.gz CTOTVDSIFQCUNY-UHFFFAOYSA-N 1 0 520.721 6.071 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(C[NH2+]CCN(C)C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049112930 562664612 /nfs/dbraw/zinc/66/46/12/562664612.db2.gz DQJRSRINKOLTGU-UHFFFAOYSA-N 1 0 522.657 5.409 1 0 KKAFRO CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049114376 562664702 /nfs/dbraw/zinc/66/47/02/562664702.db2.gz SOTWHQNDCMJPNL-SANMLTNESA-N 1 0 539.765 5.514 1 0 KKAFRO COc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000049604913 562665086 /nfs/dbraw/zinc/66/50/86/562665086.db2.gz OKAKKDGSGZNIPP-UHFFFAOYSA-N 1 0 571.936 6.746 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049604965 562665139 /nfs/dbraw/zinc/66/51/39/562665139.db2.gz QMLJBMPSZMCTSH-UUWRZZSWSA-N 1 0 645.599 6.871 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CC[C@H](NC(=O)Cc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049604988 562665164 /nfs/dbraw/zinc/66/51/64/562665164.db2.gz NMPGHMNIEPZGQE-NDEPHWFRSA-N 1 0 553.534 6.378 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N1CCCS1(=O)=O ZINC000049605002 562665168 /nfs/dbraw/zinc/66/51/68/562665168.db2.gz KAFWCFZFMQROAM-MFMCTBQISA-N 1 0 596.838 5.167 1 0 KKAFRO COc1cc(Br)ccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049605006 562665249 /nfs/dbraw/zinc/66/52/49/562665249.db2.gz NZGKXPJQDVOKFQ-UHFFFAOYSA-N 1 0 599.957 5.696 1 0 KKAFRO COc1ccccc1CC[N@H+](C)CCN1CCC(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049605063 562665259 /nfs/dbraw/zinc/66/52/59/562665259.db2.gz JMQKVALMMGFCPU-UHFFFAOYSA-N 1 0 539.642 5.750 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3cccnc32)CC1 ZINC000049605073 562665294 /nfs/dbraw/zinc/66/52/94/562665294.db2.gz OONLQBVOQXYWJX-UHFFFAOYSA-N 1 0 703.756 7.442 1 0 KKAFRO O=C(CC1CCCCC1)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049605153 562665435 /nfs/dbraw/zinc/66/54/35/562665435.db2.gz NPUUYFIWCJMTLC-VWLOTQADSA-N 1 0 618.414 6.273 1 0 KKAFRO O=C(CC1CCCCC1)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049605154 562665452 /nfs/dbraw/zinc/66/54/52/562665452.db2.gz NPUUYFIWCJMTLC-RUZDIDTESA-N 1 0 618.414 6.273 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049605250 562665572 /nfs/dbraw/zinc/66/55/72/562665572.db2.gz ASAJVNGIJZCMAM-SZAHLOSFSA-N 1 0 730.894 6.125 1 0 KKAFRO COc1cccc(C2CC[NH+](CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1 ZINC000049605270 562665610 /nfs/dbraw/zinc/66/56/10/562665610.db2.gz QBHNCWLFBBZUIN-UHFFFAOYSA-N 1 0 565.680 6.455 1 0 KKAFRO CC(C)(C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000049605295 562665662 /nfs/dbraw/zinc/66/56/62/562665662.db2.gz NSBFJNMHNJELHG-NTUHNPAUSA-N 1 0 593.039 7.143 1 0 KKAFRO CN1CC[NH+](Cc2cccc(-c3cc4nccc(Nc5ccc(Oc6ccccc6)cc5)c4cc3Cl)c2)CC1 ZINC000049605309 562665683 /nfs/dbraw/zinc/66/56/83/562665683.db2.gz LLFWLMNOCZOMDD-UHFFFAOYSA-N 1 0 535.091 7.839 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049605389 562665782 /nfs/dbraw/zinc/66/57/82/562665782.db2.gz PMKUFGAWQQIJAH-YRNVUSSQSA-N 1 0 619.943 7.595 1 0 KKAFRO COc1cccc(NC(=O)Nc2ccc(-c3oc(C(=O)NC[C@H](c4ccccc4)[NH+](C)C)cc3-c3ccncc3)cc2)c1 ZINC000049605393 562665789 /nfs/dbraw/zinc/66/57/89/562665789.db2.gz KRIFDEVQJXSACM-SSEXGKCCSA-N 1 0 575.669 6.694 1 0 KKAFRO COc1cccc(NC(=O)Nc2ccc(-c3oc(C(=O)NC[C@@H](c4ccccc4)[NH+](C)C)cc3-c3ccncc3)cc2)c1 ZINC000049605392 562665813 /nfs/dbraw/zinc/66/58/13/562665813.db2.gz KRIFDEVQJXSACM-PMERELPUSA-N 1 0 575.669 6.694 1 0 KKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049605424 562665848 /nfs/dbraw/zinc/66/58/48/562665848.db2.gz AHMKPVNMZVSNHZ-IZZDOVSWSA-N 1 0 609.472 7.035 1 0 KKAFRO CS(=O)(=O)N(c1ccc(F)cc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1 ZINC000049605464 562665898 /nfs/dbraw/zinc/66/58/98/562665898.db2.gz DHYNFBHESZSNCF-JHOUSYSJSA-N 1 0 712.766 5.561 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC(=O)OC)c1 ZINC000049605553 562666047 /nfs/dbraw/zinc/66/60/47/562666047.db2.gz JVAZAJLGJALTBZ-UHFFFAOYSA-N 1 0 606.163 6.096 1 0 KKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049605660 562666165 /nfs/dbraw/zinc/66/61/65/562666165.db2.gz ZSYUYCGOXXOFOB-UIOOFZCWSA-N 1 0 548.609 5.977 1 0 KKAFRO CN(C(=O)/C=C/c1ccccc1F)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605712 562666229 /nfs/dbraw/zinc/66/62/29/562666229.db2.gz MOSMGXCQWONONO-IFQMDVHZSA-N 1 0 546.514 6.068 1 0 KKAFRO CC(C)(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1 ZINC000049605738 562666279 /nfs/dbraw/zinc/66/62/79/562666279.db2.gz WIGBDJODNUHAFH-UHFFFAOYSA-N 1 0 716.795 8.437 1 0 KKAFRO O=C(N[C@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605737 562666315 /nfs/dbraw/zinc/66/63/15/562666315.db2.gz UPECNCZLZOVUOM-ACHIHNKUSA-N 1 0 576.770 6.454 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605730 562666329 /nfs/dbraw/zinc/66/63/29/562666329.db2.gz FWOCVWATTUPVMG-XUVXKRRUSA-N 1 0 572.364 6.586 1 0 KKAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1cccc(SC(F)(F)F)c1 ZINC000049625980 562666957 /nfs/dbraw/zinc/66/69/57/562666957.db2.gz KTXTUNIMMAODRX-UHFFFAOYSA-N 1 0 553.010 5.001 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cnn(-c2ccccc2)c1-c1ccccc1Cl ZINC000049626169 562667068 /nfs/dbraw/zinc/66/70/68/562667068.db2.gz ZOVSGXOBCGVSFH-UHFFFAOYSA-N 1 0 592.187 7.842 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049626242 562667128 /nfs/dbraw/zinc/66/71/28/562667128.db2.gz XGSYVSHDHZKLOG-SANMLTNESA-N 1 0 540.491 5.309 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000049626422 562667148 /nfs/dbraw/zinc/66/71/48/562667148.db2.gz YQJINCYTAOKQSB-WEVVVXLNSA-N 1 0 572.364 6.886 1 0 KKAFRO COc1cc(C(=O)NCc2nn(CCN3CCC([NH+]4CCCC4)CC3)cc2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049626363 562667177 /nfs/dbraw/zinc/66/71/77/562667177.db2.gz WWDMWBAMZYJJNC-UHFFFAOYSA-N 1 0 616.590 5.373 1 0 KKAFRO Cc1ccc(Cn2ncc(N3CCC([NH3+])CC3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049626428 562667182 /nfs/dbraw/zinc/66/71/82/562667182.db2.gz HJIAAMXVAAAHCU-UHFFFAOYSA-N 1 0 543.071 5.492 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000049626398 562667183 /nfs/dbraw/zinc/66/71/83/562667183.db2.gz YYILXHAZJSPIFY-UHFFFAOYSA-N 1 0 552.600 8.477 1 0 KKAFRO COC(=O)c1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049626509 562667207 /nfs/dbraw/zinc/66/72/07/562667207.db2.gz YQKBEKWFRGTAFD-XVNBXDOJSA-N 1 0 568.545 6.783 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000049626467 562667219 /nfs/dbraw/zinc/66/72/19/562667219.db2.gz RAERQTJTDNYBEQ-IQHLECGASA-N 1 0 576.785 7.663 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2)Cc2cccnc2)cc1 ZINC000049626665 562667248 /nfs/dbraw/zinc/66/72/48/562667248.db2.gz VUPFCWGEGABPPT-UHFFFAOYSA-N 1 0 563.702 5.565 1 0 KKAFRO CC(C)(C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000049627022 562667443 /nfs/dbraw/zinc/66/74/43/562667443.db2.gz LKHVUZKMVGQEFB-UHFFFAOYSA-N 1 0 609.052 7.353 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049639113 562667598 /nfs/dbraw/zinc/66/75/98/562667598.db2.gz TUFVWUZNTWURJE-XVNBXDOJSA-N 1 0 567.561 6.955 1 0 KKAFRO C[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cn(Cc2cc(Br)cc(Br)c2)c2ccccc12 ZINC000049639197 562667641 /nfs/dbraw/zinc/66/76/41/562667641.db2.gz UJENOYYPJPQWII-IBGZPJMESA-N 1 0 608.378 6.894 1 0 KKAFRO CC[N@H+](CCO)CCc1cccc(Nc2nccc(-c3c4ccccn4nc3-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1 ZINC000049639245 562667709 /nfs/dbraw/zinc/66/77/09/562667709.db2.gz OCVYBLCOGVCSKI-UHFFFAOYSA-N 1 0 577.733 6.043 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000049650187 562668055 /nfs/dbraw/zinc/66/80/55/562668055.db2.gz ZJTTUPATNKQEFG-MPQUPPDSSA-N 1 0 675.842 6.879 1 0 KKAFRO COc1ccc([C@@H](CCCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679204 562668781 /nfs/dbraw/zinc/66/87/81/562668781.db2.gz KOLWWPAODLKMSJ-PDDLMNHVSA-N 1 0 656.824 6.619 1 0 KKAFRO Cc1ccc2c(c1)nc(N1CCCCCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049679295 562668853 /nfs/dbraw/zinc/66/88/53/562668853.db2.gz ALUJTNZFYZSCHV-UHFFFAOYSA-N 1 0 562.762 6.781 1 0 KKAFRO CCC(=O)N(CCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000049679821 562669035 /nfs/dbraw/zinc/66/90/35/562669035.db2.gz NWWDJZJTOILOGZ-UHFFFAOYSA-N 1 0 737.216 9.434 1 0 KKAFRO COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](CC2CC2)CC4)cc1 ZINC000049694419 562669340 /nfs/dbraw/zinc/66/93/40/562669340.db2.gz JOAAHOIEFIBOCR-DFOKCWARSA-N 1 0 536.760 7.379 1 0 KKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCC([NH+]3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049694556 562669507 /nfs/dbraw/zinc/66/95/07/562669507.db2.gz FEYQUORVTPSCPR-UHFFFAOYSA-N 1 0 607.413 6.412 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccccc5C)c5n(c4=O)CCCC5)CC3)c2c1 ZINC000049694776 562669743 /nfs/dbraw/zinc/66/97/43/562669743.db2.gz BMKGKYCRFOOCOC-UHFFFAOYSA-N 1 0 540.708 5.471 1 0 KKAFRO C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H]([NH3+])Cc4ccccc4)nn3)nn2)nn1 ZINC000049694794 562669776 /nfs/dbraw/zinc/66/97/76/562669776.db2.gz TUCYWCJNVXTKPN-NLKOQUQSSA-N 1 0 634.792 5.977 1 0 KKAFRO Cc1ccc(C(OC[C@@H](O)CNCC[NH2+]C[C@H](O)COC(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000049694990 562670093 /nfs/dbraw/zinc/67/00/93/562670093.db2.gz QKABGOLJDASWHS-ZPGRZCPFSA-N 1 0 596.812 5.733 1 0 KKAFRO C[C@H]1C[C@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000049695104 562670169 /nfs/dbraw/zinc/67/01/69/562670169.db2.gz PRPPWWOPQVJUNZ-NBGIEHNGSA-N 1 0 621.440 6.800 1 0 KKAFRO CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[NH2+]CC3)c2F)c1 ZINC000049695418 562670535 /nfs/dbraw/zinc/67/05/35/562670535.db2.gz VIWAMLXNVNUQII-UHFFFAOYSA-N 1 0 575.616 5.244 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710519 562671726 /nfs/dbraw/zinc/67/17/26/562671726.db2.gz XBZRVHUHDCWGBJ-PKTZIBPZSA-N 1 0 585.498 6.688 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Nc3cc(F)cc(F)c3)CCO2)CC1 ZINC000049710574 562671752 /nfs/dbraw/zinc/67/17/52/562671752.db2.gz IZFKBRJLUQFVJC-YTTGMZPUSA-N 1 0 616.536 7.044 1 0 KKAFRO CC(C)(CNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049711243 562671997 /nfs/dbraw/zinc/67/19/97/562671997.db2.gz DIPJMJUXVATSDB-UHFFFAOYSA-N 1 0 588.152 5.820 1 0 KKAFRO Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CC[NH+](CCNC(=O)c4cccc(C(F)(F)F)c4)CC2)CCC3)cc1 ZINC000049722554 562672162 /nfs/dbraw/zinc/67/21/62/562672162.db2.gz DKDGLVZHWCBLTC-UHFFFAOYSA-N 1 0 575.675 6.411 1 0 KKAFRO Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3cccc(C(F)(F)F)c3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049722559 562672175 /nfs/dbraw/zinc/67/21/75/562672175.db2.gz HTZSOATXZBDJMD-UHFFFAOYSA-N 1 0 593.654 5.208 1 0 KKAFRO COc1cccc(OC[C@@H]2CCC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000049722584 562672203 /nfs/dbraw/zinc/67/22/03/562672203.db2.gz QTAKTQLXWVARJB-HSZRJFAPSA-N 1 0 550.099 5.902 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722593 562672214 /nfs/dbraw/zinc/67/22/14/562672214.db2.gz JLOWWZLDDROYCZ-HKBQPEDESA-N 1 0 688.741 7.659 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722635 562672329 /nfs/dbraw/zinc/67/23/29/562672329.db2.gz RXEVELWDBBDFGK-XMZCSZCVSA-N 1 0 606.538 6.002 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049722645 562672337 /nfs/dbraw/zinc/67/23/37/562672337.db2.gz SNJHTFZUNBOZOI-GOQOSDJISA-N 1 0 607.261 5.208 1 0 KKAFRO C[C@H](Oc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)ccc2c1CCCC2)C(N)=O ZINC000049722735 562672433 /nfs/dbraw/zinc/67/24/33/562672433.db2.gz PIVQMXWKJDZYGR-DEOSSOPVSA-N 1 0 588.192 6.528 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2cc(F)ccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722790 562672574 /nfs/dbraw/zinc/67/25/74/562672574.db2.gz POBHGYKZEXVHDN-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO COc1cc(OC[C@H]2CCC[N@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049722906 562672717 /nfs/dbraw/zinc/67/27/17/562672717.db2.gz QGWMDCQQTSZJSY-IBGZPJMESA-N 1 0 575.135 5.033 1 0 KKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccc(OCc4cccc(F)c4)cc3)cc12 ZINC000049723053 562672845 /nfs/dbraw/zinc/67/28/45/562672845.db2.gz PGQPOXOROWCYIE-LJAQVGFWSA-N 1 0 558.657 7.267 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5n(c4=O)CCCC5)CC3)c2c1 ZINC000049723131 562672960 /nfs/dbraw/zinc/67/29/60/562672960.db2.gz SPWPUQAIHRETPS-UHFFFAOYSA-N 1 0 561.126 5.816 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049723295 562673197 /nfs/dbraw/zinc/67/31/97/562673197.db2.gz XLXQJROSSHMXCQ-FNORWQNLSA-N 1 0 539.454 5.857 1 0 KKAFRO O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049723306 562673211 /nfs/dbraw/zinc/67/32/11/562673211.db2.gz ZODMUAAVGKXMFB-HMIRPBQQSA-N 1 0 698.820 6.210 1 0 KKAFRO Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049723312 562673225 /nfs/dbraw/zinc/67/32/25/562673225.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 1 0 568.725 6.946 1 0 KKAFRO Cc1ccc([C@@H]2[C@H](c3cccc4ccccc43)[C@@]3(CCC[N@@H+]([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000049745048 562673630 /nfs/dbraw/zinc/67/36/30/562673630.db2.gz RUGMTSJCEJZCGZ-RWDBSFSPSA-N 1 0 538.735 9.021 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049745103 562673667 /nfs/dbraw/zinc/67/36/67/562673667.db2.gz DMZWJLNEYMJQPY-SSEXGKCCSA-N 1 0 606.516 8.042 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1CCc1ccc(F)cc1 ZINC000049745174 562673685 /nfs/dbraw/zinc/67/36/85/562673685.db2.gz FPFYMPYRJGTUPA-UHFFFAOYSA-N 1 0 664.769 7.439 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745246 562673785 /nfs/dbraw/zinc/67/37/85/562673785.db2.gz GUNSFAQQGCFKPF-NNWRFLSQSA-N 1 0 539.454 5.558 1 0 KKAFRO CN(c1ccc2c(c1)[nH+]c(NCc1ccc(F)cc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000049746033 562674191 /nfs/dbraw/zinc/67/41/91/562674191.db2.gz GPTCYKQEGNCZMK-UHFFFAOYSA-N 1 0 545.644 5.171 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049746240 562674321 /nfs/dbraw/zinc/67/43/21/562674321.db2.gz CLYCJZBXTYXKNX-WEVVVXLNSA-N 1 0 558.337 6.450 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049746628 562674489 /nfs/dbraw/zinc/67/44/89/562674489.db2.gz KVPNRPRWDRVCLS-RTWAWAEBSA-N 1 0 586.391 6.976 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(C)cc1OCCO ZINC000049746722 562674532 /nfs/dbraw/zinc/67/45/32/562674532.db2.gz OHUAUAWWGRRVLG-UHFFFAOYSA-N 1 0 568.680 6.750 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746758 562674589 /nfs/dbraw/zinc/67/45/89/562674589.db2.gz SJCQMSFAOMNDNV-UHFFFAOYSA-N 1 0 662.945 7.209 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5cc(Cl)ccc5s4)cc3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049756459 562675035 /nfs/dbraw/zinc/67/50/35/562675035.db2.gz WCRYRBRNFCXTTR-UHFFFAOYSA-N 1 0 575.138 6.328 1 0 KKAFRO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCCCC2)nn1 ZINC000049756608 562675114 /nfs/dbraw/zinc/67/51/14/562675114.db2.gz ICQNEYDWZJCYMM-CMVGPNDKSA-N 1 0 611.684 7.347 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCCOc1cccc2[nH]c4ccccc4c21)CCc1cc2c(cc1-3)OCO2 ZINC000049756767 562675228 /nfs/dbraw/zinc/67/52/28/562675228.db2.gz AJJNIDHLDAYZLU-UHFFFAOYSA-N 1 0 587.696 7.740 1 0 KKAFRO Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)C[NH2+][C@@H](C)c1cccc(C(C)C)c1)NC2=O ZINC000049756862 562675309 /nfs/dbraw/zinc/67/53/09/562675309.db2.gz WRDFTFAHALVDPT-KEPSJGTLSA-N 1 0 531.697 5.118 1 0 KKAFRO CC(C)c1cccc(C2([NH2+]C[C@@H](O)[C@@H]3Cc4cccc(c4)OCCCCOc4cc(cc(N5CCCC5=O)c4)C(=O)N3)CC2)c1 ZINC000049757056 562675457 /nfs/dbraw/zinc/67/54/57/562675457.db2.gz UPWNAHZYMBYMAH-SZAHLOSFSA-N 1 0 611.783 5.469 1 0 KKAFRO Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000049757072 562675531 /nfs/dbraw/zinc/67/55/31/562675531.db2.gz SWDVOOPRYHDOBJ-GMTSZFNJSA-N 1 0 505.658 7.306 1 0 KKAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2Cc3cccc(c3)OCCCCNc3cc(cc(N4C=COC4)c3)C(=O)N2)c1 ZINC000049757231 562675744 /nfs/dbraw/zinc/67/57/44/562675744.db2.gz AKKRZBQIPILXBF-JHOUSYSJSA-N 1 0 570.734 5.152 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000049757397 562675973 /nfs/dbraw/zinc/67/59/73/562675973.db2.gz NACVPONJWZPHAP-UHFFFAOYSA-N 1 0 575.138 6.328 1 0 KKAFRO COc1cccc2c1OC[C@H](Cc1ccc(OCC[NH+]3CCCCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049761755 562676129 /nfs/dbraw/zinc/67/61/29/562676129.db2.gz QIJQSMNRCSAHEZ-NDEPHWFRSA-N 1 0 564.748 5.453 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C=Cc1ccco1)C(N)=O ZINC000049762050 562676301 /nfs/dbraw/zinc/67/63/01/562676301.db2.gz CGTYRICCONCCOQ-XTAUXZKDSA-N 1 0 668.949 5.890 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3C)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049762080 562676317 /nfs/dbraw/zinc/67/63/17/562676317.db2.gz DXQXEQLCDPJFHI-UHFFFAOYSA-N 1 0 554.720 5.983 1 0 KKAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000049763171 562676869 /nfs/dbraw/zinc/67/68/69/562676869.db2.gz PJORFOHALZCPRN-NDEPHWFRSA-N 1 0 612.793 5.245 1 0 KKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767191 562677396 /nfs/dbraw/zinc/67/73/96/562677396.db2.gz NOBRZARFPUZXNK-HXUWFJFHSA-N 1 0 558.901 5.353 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049767566 562677618 /nfs/dbraw/zinc/67/76/18/562677618.db2.gz CYXVEZJWVJIFPJ-UHFFFAOYSA-N 1 0 556.692 5.381 1 0 KKAFRO CC[N@H+](C[C@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771145 562678035 /nfs/dbraw/zinc/67/80/35/562678035.db2.gz CZQXPDBVKLWLQZ-IZLXSDGUSA-N 1 0 653.827 5.245 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCC[C@H]2CCC[NH2+]2)ncn1 ZINC000049775263 562679002 /nfs/dbraw/zinc/67/90/02/562679002.db2.gz PTTXMHGPBHSAPT-HSZRJFAPSA-N 1 0 600.649 6.693 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CC[NH+]4CCC(N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775721 562679219 /nfs/dbraw/zinc/67/92/19/562679219.db2.gz JSQUFUABHMZJIE-LJAQVGFWSA-N 1 0 602.845 5.167 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000049775753 562679252 /nfs/dbraw/zinc/67/92/52/562679252.db2.gz QXHSKALBSZTNEQ-HKBQPEDESA-N 1 0 635.249 5.681 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776342 562679385 /nfs/dbraw/zinc/67/93/85/562679385.db2.gz UMCNAJOTZHHMOT-MGBGTMOVSA-N 1 0 646.581 8.752 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049776371 562679446 /nfs/dbraw/zinc/67/94/46/562679446.db2.gz PSOLLAWKFQBNIY-ZHAMFGDSSA-N 1 0 655.909 5.707 1 0 KKAFRO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000049777156 562679717 /nfs/dbraw/zinc/67/97/17/562679717.db2.gz FXKGMLCCXKNJLB-HSZRJFAPSA-N 1 0 538.636 5.625 1 0 KKAFRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCCN8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680088 /nfs/dbraw/zinc/68/00/88/562680088.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 1 0 576.829 7.520 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NC2CC[NH+](C)CC2)ncn1 ZINC000049777975 562680752 /nfs/dbraw/zinc/68/07/52/562680752.db2.gz QQVLIPDYPZXRET-UHFFFAOYSA-N 1 0 600.649 6.645 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1ccccc1 ZINC000049778264 562681151 /nfs/dbraw/zinc/68/11/51/562681151.db2.gz YWPTVOHCMHCFBE-MUUNZHRXSA-N 1 0 651.673 6.138 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049778313 562681161 /nfs/dbraw/zinc/68/11/61/562681161.db2.gz IMQBTGWOTKESLU-VIZCGCQYSA-N 1 0 709.517 8.558 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccc(O)cc4)c3Cl)c2n1 ZINC000049778383 562681240 /nfs/dbraw/zinc/68/12/40/562681240.db2.gz QLPWGEHNTXNVPI-UHFFFAOYSA-N 1 0 645.609 5.488 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780766 562682224 /nfs/dbraw/zinc/68/22/24/562682224.db2.gz DNIQTSLHXSQKBK-DIPNUNPCSA-N 1 0 641.894 6.344 1 0 KKAFRO C[NH+](C)CCc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nc4sccn43)n2)cc1 ZINC000049781187 562682748 /nfs/dbraw/zinc/68/27/48/562682748.db2.gz CDIOXDOXJQDENS-UHFFFAOYSA-N 1 0 595.679 6.898 1 0 KKAFRO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[N@@H+]4C)cc2C)ccc1F ZINC000049781226 562682799 /nfs/dbraw/zinc/68/27/99/562682799.db2.gz WVGILCCRPFXQQT-ZEQRLZLVSA-N 1 0 520.612 5.474 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 ZINC000049783783 562683219 /nfs/dbraw/zinc/68/32/19/562683219.db2.gz KIQJBZWNZGNCLV-VJGNERBWSA-N 1 0 523.668 5.380 1 0 KKAFRO O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CC[NH2+]C4)n2)c1)c1c(F)cccc1F ZINC000049793427 562684826 /nfs/dbraw/zinc/68/48/26/562684826.db2.gz UUFDRURWKKKAJF-UHFFFAOYSA-N 1 0 579.636 6.440 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[N@@H+]5CCCC[C@H]5C)c(OC)cc43)ccc2s1 ZINC000049803169 562686082 /nfs/dbraw/zinc/68/60/82/562686082.db2.gz GZZGWFBVDBGCQH-LJQANCHMSA-N 1 0 534.682 6.417 1 0 KKAFRO COc1ccc(OCCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)cc1 ZINC000049803773 562686235 /nfs/dbraw/zinc/68/62/35/562686235.db2.gz WVZAQPXTJMNNLJ-UHFFFAOYSA-N 1 0 500.571 5.334 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([NH2+]Cc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049841099 562688022 /nfs/dbraw/zinc/68/80/22/562688022.db2.gz MDEMRDYRGASTCX-CKOJHNACSA-N 1 0 633.758 5.074 1 0 KKAFRO CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841418 562688348 /nfs/dbraw/zinc/68/83/48/562688348.db2.gz YFWVAYGDSFKIJW-UHFFFAOYSA-N 1 0 650.791 5.587 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049841466 562688375 /nfs/dbraw/zinc/68/83/75/562688375.db2.gz QXJNTMSGRQZRFO-QAXCHELISA-N 1 0 649.754 7.822 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)C[C@@H]3c4ccccc4[NH+]=C(N(C)C)N3c3ccccc3)cc2)cc1 ZINC000049850452 562688663 /nfs/dbraw/zinc/68/86/63/562688663.db2.gz BUARRUHMMCHOQJ-SSEXGKCCSA-N 1 0 567.715 5.613 1 0 in-vivo KKAFRO CCOC(=O)[C@@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000049872473 562690055 /nfs/dbraw/zinc/69/00/55/562690055.db2.gz BSAKCTVYTGENGJ-NWFTYUCRSA-N 1 0 554.613 5.043 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 ZINC000049889057 562691736 /nfs/dbraw/zinc/69/17/36/562691736.db2.gz PIYAMSIJZQDTMB-AIUHUKMKSA-N 1 0 714.873 5.972 1 0 KKAFRO CC(=CC[n+]1cn(C)c2ncnc(N)c21)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(COC(=O)c3cc(Br)c[nH]3)=CCC[C@H]21 ZINC000049889137 562691808 /nfs/dbraw/zinc/69/18/08/562691808.db2.gz ULTNQKUXFQRXIO-PKEVTCQSSA-O 1 0 610.621 6.291 1 0 KKAFRO C[NH+](C)C[C@H](O)COc1cccc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)c1 ZINC000049889259 562691917 /nfs/dbraw/zinc/69/19/17/562691917.db2.gz IUBAGEWAWOROKE-VWLOTQADSA-N 1 0 635.675 6.034 1 0 KKAFRO COC(=O)Cc1c[nH]c2ccc(OCCC[N@@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc12 ZINC000049889460 562692137 /nfs/dbraw/zinc/69/21/37/562692137.db2.gz QCPMSPLCIPCOOQ-UHFFFAOYSA-N 1 0 635.126 8.659 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(OC3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049916748 562693516 /nfs/dbraw/zinc/69/35/16/562693516.db2.gz INIPJCMUHKXHJQ-UHFFFAOYSA-N 1 0 616.648 6.194 1 0 KKAFRO C[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2SCc2cccc(F)c2F)CCC3)CC1 ZINC000049917536 562693543 /nfs/dbraw/zinc/69/35/43/562693543.db2.gz NIXOXURBZLAQIP-UHFFFAOYSA-N 1 0 681.771 7.716 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917592 562693613 /nfs/dbraw/zinc/69/36/13/562693613.db2.gz ICIDSHHZAPVAKX-MSEJLTFDSA-N 1 0 637.756 5.306 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049917582 562693627 /nfs/dbraw/zinc/69/36/27/562693627.db2.gz IVUJSISMRKSLRP-SSEXGKCCSA-N 1 0 574.499 7.301 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCc2ccccn2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049917636 562693696 /nfs/dbraw/zinc/69/36/96/562693696.db2.gz HNXWRGGWZQMJHR-UHFFFAOYSA-N 1 0 651.251 7.835 1 0 KKAFRO CC(C)Cc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000049917621 562693706 /nfs/dbraw/zinc/69/37/06/562693706.db2.gz HXRGYGFWMAGJER-UHFFFAOYSA-N 1 0 648.692 7.507 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@@H](NC(=S)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917680 562693726 /nfs/dbraw/zinc/69/37/26/562693726.db2.gz AVGGLWCCZIZIFS-AREMUKBSSA-N 1 0 603.641 6.225 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(NC(=O)C(F)(F)F)cc4)cc3)CC2)ccc2c1CCCC2 ZINC000049917692 562693744 /nfs/dbraw/zinc/69/37/44/562693744.db2.gz GSALJULVMQXISE-UHFFFAOYSA-N 1 0 607.717 7.131 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000049917723 562693767 /nfs/dbraw/zinc/69/37/67/562693767.db2.gz AXWSLXQQWLRFQH-SSVWKNEZSA-N 1 0 540.894 6.436 1 0 KKAFRO COc1ccc(C(F)(F)F)cc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049917743 562693827 /nfs/dbraw/zinc/69/38/27/562693827.db2.gz DUOZENLOBZABDB-UHFFFAOYSA-N 1 0 589.058 5.952 1 0 KKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000049917745 562693865 /nfs/dbraw/zinc/69/38/65/562693865.db2.gz SKZZXDBQDRCXJM-UHFFFAOYSA-N 1 0 541.620 6.671 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1 ZINC000049917819 562693956 /nfs/dbraw/zinc/69/39/56/562693956.db2.gz DLIBGMCXVCUNOA-UUWRZZSWSA-N 1 0 624.609 7.140 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3nn(C)cc3c(=O)cc2CCc2cccc(F)c2F)CC1 ZINC000049917863 562693995 /nfs/dbraw/zinc/69/39/95/562693995.db2.gz ISPYBGMNPYDORW-UHFFFAOYSA-N 1 0 691.745 6.997 1 0 KKAFRO COc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)CC2)ccc1OC(C)C ZINC000049917889 562694111 /nfs/dbraw/zinc/69/41/11/562694111.db2.gz CTJCFKOCKPVRMD-UHFFFAOYSA-N 1 0 679.702 8.162 1 0 KKAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5cccc(OCc6ccccc6)c5[nH]4)CC3)c2c1 ZINC000049917919 562694120 /nfs/dbraw/zinc/69/41/20/562694120.db2.gz CKGLAZIGHBFHGP-HKBQPEDESA-N 1 0 536.676 5.591 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917908 562694134 /nfs/dbraw/zinc/69/41/34/562694134.db2.gz LROQIJZEUPRJEP-JVNGFTGRSA-N 1 0 557.444 6.208 1 0 KKAFRO O=C(N[C@H](CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049917925 562694138 /nfs/dbraw/zinc/69/41/38/562694138.db2.gz CXAAWZIHSALWCA-AREMUKBSSA-N 1 0 544.910 6.402 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049917905 562694142 /nfs/dbraw/zinc/69/41/42/562694142.db2.gz GUIMLYMLFIYPKB-KPKJPENVSA-N 1 0 605.023 6.917 1 0 KKAFRO COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000049917979 562694259 /nfs/dbraw/zinc/69/42/59/562694259.db2.gz AJYANRJFLGRSNM-VAWYXSNFSA-N 1 0 556.581 5.608 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCCO)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)c(CO)c1 ZINC000049918028 562694339 /nfs/dbraw/zinc/69/43/39/562694339.db2.gz ZSEYZVTULVNDNE-UHFFFAOYSA-N 1 0 638.771 6.894 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3ccccc3c2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049918011 562694340 /nfs/dbraw/zinc/69/43/40/562694340.db2.gz MDIPFUYEALJFFO-UHFFFAOYSA-N 1 0 540.107 7.135 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2F)CC1 ZINC000049918075 562694382 /nfs/dbraw/zinc/69/43/82/562694382.db2.gz DOJOFNHQAPGLKV-CSKARUKUSA-N 1 0 555.909 6.372 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049938220 562695166 /nfs/dbraw/zinc/69/51/66/562695166.db2.gz WZCRTOKSBDFVAS-OFSOJUDTSA-N 1 0 675.072 7.905 1 0 KKAFRO C[NH+](C)CCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000049938430 562695276 /nfs/dbraw/zinc/69/52/76/562695276.db2.gz CUXYJJOQGJZCMF-VWLOTQADSA-N 1 0 637.349 5.862 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000049938411 562695293 /nfs/dbraw/zinc/69/52/93/562695293.db2.gz MJVSDWUKXXUPBE-FSEITFBQSA-N 1 0 705.856 5.053 1 0 in-vivo KKAFRO CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942342 562695462 /nfs/dbraw/zinc/69/54/62/562695462.db2.gz AAULUGZZFCAQJP-GDLZYMKVSA-N 1 0 559.736 5.352 1 0 in-vivo KKAFRO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@H]3CC[N@H+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696088 /nfs/dbraw/zinc/69/60/88/562696088.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 1 0 583.198 5.173 1 0 KKAFRO CCN(CC)c1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3c(C)cccc3Cl)ncn2)cc1 ZINC000053159854 562696322 /nfs/dbraw/zinc/69/63/22/562696322.db2.gz XIFDWULJBGHZEO-UHFFFAOYSA-N 1 0 510.086 6.018 1 0 KKAFRO COc1cc2ccnc3c2c(c1O)Oc1cc2c(cc1OC)CC[N@@H+](C)[C@@H]2Cc1ccc(O)c(c1)Oc1ccc(cc1)C3 ZINC000053230921 562696669 /nfs/dbraw/zinc/69/66/69/562696669.db2.gz PWVLBPQSZKHZHU-HHHXNRCGSA-N 1 0 576.649 6.924 1 0 KKAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccccc2-n2cccn2)n1 ZINC000053277614 562697112 /nfs/dbraw/zinc/69/71/12/562697112.db2.gz UUKKTEAGWFZJSI-UHFFFAOYSA-N 1 0 523.645 5.170 1 0 KKAFRO CC1(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053293577 562697182 /nfs/dbraw/zinc/69/71/82/562697182.db2.gz IOFXXLGAQWIHTF-JBVCSEDXSA-N 1 0 551.791 6.531 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000055768067 562697779 /nfs/dbraw/zinc/69/77/79/562697779.db2.gz YUIZGPPZFYCRQD-UHFFFAOYSA-N 1 0 546.695 5.636 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@H](O)C2)CC1 ZINC000058487762 562698218 /nfs/dbraw/zinc/69/82/18/562698218.db2.gz FTLGKSKBYORBFI-AZGJVMLZSA-N 1 0 512.481 5.577 1 0 KKAFRO CC[C@H](C)N(C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@H]1CCCC[NH2+]1)[C@@H](C)CC ZINC000058508512 562698387 /nfs/dbraw/zinc/69/83/87/562698387.db2.gz YXRWQRQZSUPRFI-SONWIMMPSA-N 1 0 566.186 7.416 1 0 KKAFRO Cc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000058568393 562699509 /nfs/dbraw/zinc/69/95/09/562699509.db2.gz LLQGTCNVKSGYQG-UHFFFAOYSA-N 1 0 510.410 5.241 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CC[NH+]5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058594410 562700688 /nfs/dbraw/zinc/70/06/88/562700688.db2.gz NXOJBDCDDRAJDO-HXUWFJFHSA-N 1 0 590.153 5.090 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3F)cc2)c(Cl)c1 ZINC000059031235 562701591 /nfs/dbraw/zinc/70/15/91/562701591.db2.gz ZUNPKGJBZFDEPB-QFIPXVFZSA-N 1 0 558.908 8.504 1 0 KKAFRO COc1cc(-c2ccccc2Cl)ccc1[C@H](C[NH3+])Cc1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1 ZINC000059031238 562701614 /nfs/dbraw/zinc/70/16/14/562701614.db2.gz RIINYUGVNAMTRL-QHCPKHFHSA-N 1 0 570.944 8.374 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1 ZINC000059031248 562701635 /nfs/dbraw/zinc/70/16/35/562701635.db2.gz POUSUTIZRYXQHT-QFIPXVFZSA-N 1 0 575.363 9.018 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NC(=O)OC)c2)ccc1OC(C)C ZINC000059375797 562702023 /nfs/dbraw/zinc/70/20/23/562702023.db2.gz BWEOJIQOGIMVLP-MUUNZHRXSA-N 1 0 557.651 5.651 1 0 KKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000059744869 562702222 /nfs/dbraw/zinc/70/22/22/562702222.db2.gz DIIOKAPUKRNPAJ-WNCULLNHSA-N 1 0 540.704 6.797 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796295 562702307 /nfs/dbraw/zinc/70/23/07/562702307.db2.gz LSIDHJBKTOAZTN-OETVIHDQSA-N 1 0 568.639 7.576 3 0 KKAFRO COc1ccc(/C=C/C[NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904317 562702979 /nfs/dbraw/zinc/70/29/79/562702979.db2.gz FSGLJBPFKQQGAQ-RPQDIBGKSA-N 1 0 509.625 6.014 3 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc(OC)c1 ZINC000061906409 562703073 /nfs/dbraw/zinc/70/30/73/562703073.db2.gz WXIIXROMGVLSQR-PMERELPUSA-N 1 0 513.613 5.509 3 0 KKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061926142 562703583 /nfs/dbraw/zinc/70/35/83/562703583.db2.gz QQYAPCJBIKFBEQ-HKBQPEDESA-N 1 0 507.634 6.000 3 0 KKAFRO Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(OC5CC[NH+](C)CC5)c(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064415684 562705002 /nfs/dbraw/zinc/70/50/02/562705002.db2.gz NCTRDRAFCRZEPK-UHFFFAOYSA-N 1 0 574.991 6.550 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Br)c1 ZINC000064436812 562705241 /nfs/dbraw/zinc/70/52/41/562705241.db2.gz RTBIPFUMKDXETP-SFTDATJTSA-N 1 0 577.490 5.657 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064448543 562705557 /nfs/dbraw/zinc/70/55/57/562705557.db2.gz AVPLNVLKHWYKNZ-YTTGMZPUSA-N 1 0 604.216 5.342 1 0 KKAFRO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064499008 562706005 /nfs/dbraw/zinc/70/60/05/562706005.db2.gz RTNHZZUGWDBHSN-UHFFFAOYSA-N 1 0 507.028 6.376 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CO6)CC[NH+](C)CC4)c(C)c3)cc2)no1 ZINC000064513546 562706408 /nfs/dbraw/zinc/70/64/08/562706408.db2.gz VDROGCZIMLOXKX-UHFFFAOYSA-N 1 0 520.633 5.579 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](Nc2ncccn2)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064513925 562706498 /nfs/dbraw/zinc/70/64/98/562706498.db2.gz ANSDKCGTAPTVGF-OUPRXKBMSA-N 1 0 524.509 6.351 1 0 KKAFRO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548771 562707911 /nfs/dbraw/zinc/70/79/11/562707911.db2.gz WOARFNLDHSQISN-NDEPHWFRSA-N 1 0 550.728 6.269 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4CCOC(N)=O)cc3C)cc2)c(Cl)c1 ZINC000064549031 562707961 /nfs/dbraw/zinc/70/79/61/562707961.db2.gz GFHPIXQQVBFKDB-MHZLTWQESA-N 1 0 607.578 7.658 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4CCC(=O)N(C)C)cc3C)cc2)c(Cl)c1 ZINC000064549030 562707972 /nfs/dbraw/zinc/70/79/72/562707972.db2.gz RQMAZORAJNUJBP-GDLZYMKVSA-N 1 0 619.633 8.041 1 0 KKAFRO CC(C)(C)c1ccc(C2(CCC[N@@H+]3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550069 562708201 /nfs/dbraw/zinc/70/82/01/562708201.db2.gz ZLRSPZURKJYEMQ-XIFFEERXSA-N 1 0 557.775 7.161 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066113 562709275 /nfs/dbraw/zinc/70/92/75/562709275.db2.gz HNONFUHKZPMDDO-UCGGBYDDSA-N 1 0 632.554 7.056 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066445 562709397 /nfs/dbraw/zinc/70/93/97/562709397.db2.gz XQZPJUKBNPBJEI-LHXZUMEBSA-N 1 0 578.584 6.346 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073650 562709492 /nfs/dbraw/zinc/70/94/92/562709492.db2.gz VBLXYTXLCHOLLW-XYFQYJLHSA-N 1 0 582.547 6.176 1 0 KKAFRO CSc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073709 562709565 /nfs/dbraw/zinc/70/95/65/562709565.db2.gz WKAVKEJZJBPTLN-ZORMNXRFSA-N 1 0 610.651 6.759 1 0 KKAFRO Cc1cccc(N2CC[NH+](CCCCNc3nc4ccc(F)cc4c(NCc4ccco4)n3)CC2)c1C ZINC000066074022 562709662 /nfs/dbraw/zinc/70/96/62/562709662.db2.gz RKOSRCVWIKXMCP-UHFFFAOYSA-N 1 0 502.638 5.605 1 0 KKAFRO CNC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066075398 562710001 /nfs/dbraw/zinc/71/00/01/562710001.db2.gz BEUZUMJUVANYFS-XYFQYJLHSA-N 1 0 579.572 5.830 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 ZINC000066077275 562710260 /nfs/dbraw/zinc/71/02/60/562710260.db2.gz QLRCKWYTUWTCTQ-RYCFQHDISA-N 1 0 527.684 5.178 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077234 562710281 /nfs/dbraw/zinc/71/02/81/562710281.db2.gz JRVSGBSKZMZOOC-MGBGTMOVSA-N 1 0 646.898 5.470 1 0 KKAFRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCc2c[nH]c(N)[nH+]2)nn1)CCc1ccccn1 ZINC000066078679 562710458 /nfs/dbraw/zinc/71/04/58/562710458.db2.gz KACIMGCUDNMNDB-RKVVATLDSA-N 1 0 606.860 6.636 1 0 KKAFRO Cn1nc(Cc2ccccc2)cc1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066079481 562710622 /nfs/dbraw/zinc/71/06/22/562710622.db2.gz LJTVHAQRPVLLMC-LJAQVGFWSA-N 1 0 542.749 5.343 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000066079973 562710659 /nfs/dbraw/zinc/71/06/59/562710659.db2.gz UJMRCKFCSDQECV-QVWWMRLHSA-N 1 0 548.102 5.523 1 0 KKAFRO C[NH+](C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100595 562711241 /nfs/dbraw/zinc/71/12/41/562711241.db2.gz HHNZAJOXHSVYML-NRFANRHFSA-N 1 0 552.597 6.046 1 0 KKAFRO C[C@@H](C[NH2+][C@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100826 562711282 /nfs/dbraw/zinc/71/12/82/562711282.db2.gz JSZDJCIBUSBZII-VCPVOTNNSA-N 1 0 629.805 6.455 1 0 KKAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(C[NH+]5CCCCC5)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066103051 562711503 /nfs/dbraw/zinc/71/15/03/562711503.db2.gz PYECISSSXMVGER-QIXIFPRPSA-N 1 0 572.658 5.212 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2cccc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000066103377 562711539 /nfs/dbraw/zinc/71/15/39/562711539.db2.gz PUELNLUTVALFIG-UHFFFAOYSA-N 1 0 507.700 5.780 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2cccc([C@H](C)N(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000066104054 562711667 /nfs/dbraw/zinc/71/16/67/562711667.db2.gz SIPOPCCIDZIEBA-QHCPKHFHSA-N 1 0 521.727 6.341 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccccc3OC)cs2)cc1 ZINC000066104577 562711782 /nfs/dbraw/zinc/71/17/82/562711782.db2.gz LVAZQIJFRVOZAF-UHFFFAOYSA-N 1 0 513.729 5.842 1 0 KKAFRO CCN1c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N(C2CCCC2)[C@@H](c2ccccc2)CC1=O ZINC000066136499 562713180 /nfs/dbraw/zinc/71/31/80/562713180.db2.gz IJVJTMNJBNMDDU-MUUNZHRXSA-N 1 0 597.764 5.300 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000066139110 562713443 /nfs/dbraw/zinc/71/34/43/562713443.db2.gz WYNCONGFJQZCFS-KCYKTTMJSA-N 1 0 590.470 5.627 3 0 KKAFRO O=C1N=C(c2ccc(F)cc2)C(CC[NH+]2CCN(c3cc(Br)cc(Br)c3)CC2)O1 ZINC000084495815 562743244 /nfs/dbraw/zinc/74/32/44/562743244.db2.gz IQLYPAORURWIIH-UHFFFAOYSA-N 1 0 525.216 5.076 1 0 KKAFRO CN(CC[NH+](C)C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066259554 562715299 /nfs/dbraw/zinc/71/52/99/562715299.db2.gz LXGUQYLBTQNGHK-UHFFFAOYSA-N 1 0 553.555 5.256 1 0 KKAFRO COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C[NH2+]CC(C)(C)C)cc3)n2)C2CCCC2)cc1 ZINC000066259823 562715383 /nfs/dbraw/zinc/71/53/83/562715383.db2.gz AIIRTNRFIHOHNN-UHFFFAOYSA-N 1 0 527.756 6.088 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000068077982 562715699 /nfs/dbraw/zinc/71/56/99/562715699.db2.gz GFFWLUQHUNXNNR-IZLXSDGUSA-N 1 0 661.070 7.271 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nccc(-c3[nH]c(-c4c(Cl)cc(CO)cc4Cl)nc3-c3cccc(Cl)c3)n2)cc1 ZINC000068014416 562715724 /nfs/dbraw/zinc/71/57/24/562715724.db2.gz GXQYYVSMHUOPGZ-UHFFFAOYSA-N 1 0 637.999 8.117 1 0 KKAFRO COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]2CC(=O)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087528 562715762 /nfs/dbraw/zinc/71/57/62/562715762.db2.gz XPZQCKNZYVHICG-GDLZYMKVSA-N 1 0 649.600 6.018 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000068198083 562715896 /nfs/dbraw/zinc/71/58/96/562715896.db2.gz BGIPSPTYDHJEKL-MHZLTWQESA-N 1 0 520.695 5.054 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000068198107 562715907 /nfs/dbraw/zinc/71/59/07/562715907.db2.gz PHOQBEAWVINSIU-UHFFFAOYSA-N 1 0 592.626 5.175 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC(F)(F)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068243679 562716032 /nfs/dbraw/zinc/71/60/32/562716032.db2.gz BSKLQZWXCYJXNJ-REUBFRLUSA-N 1 0 662.212 7.292 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[NH2+]C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245727 562716090 /nfs/dbraw/zinc/71/60/90/562716090.db2.gz OSIANIBQPVZPOY-QHCPKHFHSA-N 1 0 514.578 5.169 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[NH2+]C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245726 562716108 /nfs/dbraw/zinc/71/61/08/562716108.db2.gz OSIANIBQPVZPOY-HSZRJFAPSA-N 1 0 514.578 5.169 1 0 KKAFRO O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1 ZINC000070631611 562716481 /nfs/dbraw/zinc/71/64/81/562716481.db2.gz HCWOLAWHRUPDEU-KILMMMHPSA-N 1 0 538.644 5.300 1 0 KKAFRO CCOc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071296032 562717387 /nfs/dbraw/zinc/71/73/87/562717387.db2.gz FMKILCPRKFXDED-BETPUDKTSA-N 1 0 562.758 6.867 1 0 KKAFRO COc1ccc(CC[N@@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000071296504 562717572 /nfs/dbraw/zinc/71/75/72/562717572.db2.gz LCKMFSRIRZPXAK-WIOPSUGQSA-N 1 0 513.465 5.699 1 0 KKAFRO Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071296742 562717605 /nfs/dbraw/zinc/71/76/05/562717605.db2.gz YCXJWROMAAKJOE-XMMPIXPASA-N 1 0 514.069 6.849 1 0 KKAFRO Cc1cccnc1O[C@@H](c1ccc(Br)cc1)C1CC[NH+]([C@@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071315956 562717798 /nfs/dbraw/zinc/71/77/98/562717798.db2.gz BPLIGEHINHNRPM-SIBVEZHUSA-N 1 0 606.392 6.895 1 0 KKAFRO COc1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071316346 562717915 /nfs/dbraw/zinc/71/79/15/562717915.db2.gz FLCOWDAPEOXPIR-MYUZEXMDSA-N 1 0 611.492 6.852 1 0 KKAFRO Cc1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071317022 562718088 /nfs/dbraw/zinc/71/80/88/562718088.db2.gz KIXBJYUJUOHEKG-UZTOHYMASA-N 1 0 595.493 7.151 1 0 KKAFRO Cc1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071317023 562718100 /nfs/dbraw/zinc/71/81/00/562718100.db2.gz KIXBJYUJUOHEKG-WINIVTDRSA-N 1 0 595.493 7.151 1 0 KKAFRO COc1cccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC000071329162 562718834 /nfs/dbraw/zinc/71/88/34/562718834.db2.gz ZKVNMGGIYYBIAO-JYFHCDHNSA-N 1 0 509.046 5.054 1 0 KKAFRO Cc1ccc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 ZINC000071330543 562719143 /nfs/dbraw/zinc/71/91/43/562719143.db2.gz RNFWJVYCNCVOTK-WINIVTDRSA-N 1 0 606.392 6.895 1 0 KKAFRO [NH3+]CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071332267 562719345 /nfs/dbraw/zinc/71/93/45/562719345.db2.gz NXWHUSWLVBSIJF-RSXGOPAZSA-N 1 0 593.323 6.106 1 0 KKAFRO CC(C)c1ccc(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334367 562719571 /nfs/dbraw/zinc/71/95/71/562719571.db2.gz OHNIUIOFVVGQRR-MRWVFDTMSA-N 1 0 507.747 7.306 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072104631 562720570 /nfs/dbraw/zinc/72/05/70/562720570.db2.gz GSOKOLQABSVSMM-UHFFFAOYSA-N 1 0 507.682 5.407 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111427 562721922 /nfs/dbraw/zinc/72/19/22/562721922.db2.gz IFUMWLOPXCEQDI-ZQGWNMLXSA-N 1 0 642.769 7.962 1 0 KKAFRO C[C@@H]1CN(C(=O)C2CCCCC2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112446 562722080 /nfs/dbraw/zinc/72/20/80/562722080.db2.gz GREPRJJCDHWUCR-CHWPHWHQSA-N 1 0 526.806 5.831 1 0 KKAFRO O=C1C(c2cccs2)=C(c2cccs2)C(=O)N1CCCN1CC[NH+](CCCN2C(=O)C(c3cccs3)=C(c3cccs3)C2=O)CC1 ZINC000072113125 562722242 /nfs/dbraw/zinc/72/22/42/562722242.db2.gz XGEGCTYXCIFNEL-UHFFFAOYSA-N 1 0 688.922 5.590 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113392 562722342 /nfs/dbraw/zinc/72/23/42/562722342.db2.gz AQHHATMJPBALGD-RXCFDRAVSA-N 1 0 518.746 6.411 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072115357 562722983 /nfs/dbraw/zinc/72/29/83/562722983.db2.gz HEWBYZPOUNEUEA-HEHLMWRFSA-N 1 0 672.875 5.575 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cccc(C(F)(F)F)c1 ZINC000072117065 562723336 /nfs/dbraw/zinc/72/33/36/562723336.db2.gz SENDUEUOHLBKIY-QFIPXVFZSA-N 1 0 528.600 5.467 1 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)N[C@H](CCCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119046 562723790 /nfs/dbraw/zinc/72/37/90/562723790.db2.gz HEWBYZPOUNEUEA-ZBKIVJSUSA-N 1 0 672.875 5.575 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072119930 562723884 /nfs/dbraw/zinc/72/38/84/562723884.db2.gz INQGVWVTBPOLPM-KWRMZWAXSA-N 1 0 662.026 6.467 3 0 KKAFRO CC(C)NC(=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 ZINC000072120336 562724020 /nfs/dbraw/zinc/72/40/20/562724020.db2.gz NKJVEESZKXXZFT-DTTPJGKXSA-N 1 0 650.783 6.163 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072121361 562724225 /nfs/dbraw/zinc/72/42/25/562724225.db2.gz SZYOEPFBMRLVKU-UUWRZZSWSA-N 1 0 545.658 7.284 3 0 KKAFRO COc1ccc(C[N@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072122720 562724642 /nfs/dbraw/zinc/72/46/42/562724642.db2.gz RRRJJHOCKYLCQN-ITEXHPTBSA-N 1 0 631.814 5.875 3 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)cc1 ZINC000072123578 562724723 /nfs/dbraw/zinc/72/47/23/562724723.db2.gz JCSQMRVGUMFDNY-UUWRZZSWSA-N 1 0 568.721 6.846 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123635 562724797 /nfs/dbraw/zinc/72/47/97/562724797.db2.gz YUJFTKLYMNNTRQ-GOXGLGGOSA-N 1 0 633.447 7.344 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123719 562724857 /nfs/dbraw/zinc/72/48/57/562724857.db2.gz SVTATNUUFRMUDH-OFKCIZEBSA-N 1 0 659.728 7.501 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123718 562724900 /nfs/dbraw/zinc/72/49/00/562724900.db2.gz SVTATNUUFRMUDH-FSGZAOGXSA-N 1 0 659.728 7.501 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12 ZINC000072125162 562725202 /nfs/dbraw/zinc/72/52/02/562725202.db2.gz DEFUQFJLENSELG-GDLZYMKVSA-N 1 0 541.095 6.141 1 0 KKAFRO C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000072126794 562725386 /nfs/dbraw/zinc/72/53/86/562725386.db2.gz CWZXBJMDDIOGRX-PQDHALMWSA-N 1 0 651.776 7.939 1 0 KKAFRO O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126805 562725450 /nfs/dbraw/zinc/72/54/50/562725450.db2.gz CVNUDPVQPWCUGZ-GOVYPMRZSA-N 1 0 649.760 7.693 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127047 562725638 /nfs/dbraw/zinc/72/56/38/562725638.db2.gz GMAGJOWBPJKTNU-WNQXLSPZSA-N 1 0 678.025 6.172 3 0 KKAFRO Cc1nn(-c2cccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)c2)c(=O)c2ccccc12 ZINC000072127895 562725944 /nfs/dbraw/zinc/72/59/44/562725944.db2.gz DVLLTTXAMFTJSO-SSEXGKCCSA-N 1 0 506.650 5.487 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128620 562726086 /nfs/dbraw/zinc/72/60/86/562726086.db2.gz LAZZTJJMWPLAFV-BBACVFHCSA-N 1 0 692.052 6.562 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128744 562726281 /nfs/dbraw/zinc/72/62/81/562726281.db2.gz KNCJAHMCOMXAGP-ULJKERAFSA-N 1 0 680.702 6.731 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(C(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128745 562726291 /nfs/dbraw/zinc/72/62/91/562726291.db2.gz YEIOSWIOUHGOGK-BCFRNYDHSA-N 1 0 688.338 7.201 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000072128775 562726322 /nfs/dbraw/zinc/72/63/22/562726322.db2.gz VYZQOIFECDLGPS-FITHBNAOSA-N 1 0 647.792 5.703 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)CC1 ZINC000072128777 562726358 /nfs/dbraw/zinc/72/63/58/562726358.db2.gz IARIPQCAAVOTIF-ZVBBVAIHSA-N 1 0 698.692 6.870 1 0 KKAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(C[NH+]4CCCC4)ccc3OC)(N3CCC[C@H]3c3ncco3)C2=O)cc1 ZINC000072129852 562726479 /nfs/dbraw/zinc/72/64/79/562726479.db2.gz NUWNAUVHMPVPKS-BFGHFXMOSA-N 1 0 663.196 5.757 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726690 /nfs/dbraw/zinc/72/66/90/562726690.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 1 0 724.318 7.395 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072132833 562726952 /nfs/dbraw/zinc/72/69/52/562726952.db2.gz DSJGKJAUOYZTRF-MRDQGFSESA-N 1 0 649.463 7.862 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072137711 562728384 /nfs/dbraw/zinc/72/83/84/562728384.db2.gz ORCUQVZUTYUDHO-OWOAZTCBSA-N 1 0 585.532 5.990 1 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000072138255 562728701 /nfs/dbraw/zinc/72/87/01/562728701.db2.gz WFUNTFJZTRFJFT-KWRMZWAXSA-N 1 0 662.026 6.467 3 0 KKAFRO CCc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072138597 562728849 /nfs/dbraw/zinc/72/88/49/562728849.db2.gz JYQVCKVAVFLGCT-UHFFFAOYSA-N 1 0 574.567 6.080 3 0 KKAFRO C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[NH+]1CCCC1 ZINC000072139958 562729127 /nfs/dbraw/zinc/72/91/27/562729127.db2.gz DIVUWJFWEQMVAY-RCRUUEGKSA-N 1 0 503.090 5.812 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072141617 562729435 /nfs/dbraw/zinc/72/94/35/562729435.db2.gz YONZQCMXPIWVTN-SPWOZAQASA-N 1 0 726.069 6.759 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147609 562729735 /nfs/dbraw/zinc/72/97/35/562729735.db2.gz AFFAQTIQURLOEQ-NLDZOOGBSA-N 1 0 703.111 6.105 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(OCC3=C[C@@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147596 562729737 /nfs/dbraw/zinc/72/97/37/562729737.db2.gz LDOOJWYIGGXIHB-FILRIAJHSA-N 1 0 689.587 5.383 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)cn1 ZINC000072147601 562729773 /nfs/dbraw/zinc/72/97/73/562729773.db2.gz BKQJJWLNWLFDGH-FTJBHMTQSA-N 1 0 686.587 6.759 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1 ZINC000072148929 562729953 /nfs/dbraw/zinc/72/99/53/562729953.db2.gz BIWLWXCWEBBLDR-WDYNHAJCSA-N 1 0 684.611 7.969 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171081 562730479 /nfs/dbraw/zinc/73/04/79/562730479.db2.gz JGUWRDGVCUGGGI-XMMPIXPASA-N 1 0 556.615 5.296 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[N@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172005 562730571 /nfs/dbraw/zinc/73/05/71/562730571.db2.gz QQLMRUWZPSJDOW-QHCPKHFHSA-N 1 0 544.604 5.211 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072174716 562731162 /nfs/dbraw/zinc/73/11/62/562731162.db2.gz HZKBLVKLARJXIY-CLYVBNDRSA-N 1 0 648.475 8.467 1 0 KKAFRO CC(C)c1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@@H+](C)CC4)n2)s1 ZINC000072176233 562731554 /nfs/dbraw/zinc/73/15/54/562731554.db2.gz JMTLTJSFIRBAFK-UHFFFAOYSA-N 1 0 596.707 7.653 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183321 562732901 /nfs/dbraw/zinc/73/29/01/562732901.db2.gz LVGDISGNKYDSAM-AUSIDOKSSA-N 1 0 539.507 6.478 1 0 KKAFRO COc1cc2c(cc1OCCCCN1CC[NH+](CCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317212 562733171 /nfs/dbraw/zinc/73/31/71/562733171.db2.gz TZKVMGYQIISFFQ-MHZLTWQESA-N 1 0 593.772 5.991 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318466 562733266 /nfs/dbraw/zinc/73/32/66/562733266.db2.gz ABJSOROVZZKJGI-CRFRDXJISA-N 1 0 586.933 6.127 1 0 in-vitro KKAFRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000073159985 562734022 /nfs/dbraw/zinc/73/40/22/562734022.db2.gz BLWAXJUYAKUVSK-ZJSXRUAMSA-N 1 0 591.030 5.024 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)[NH2+]C2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000073196023 562735047 /nfs/dbraw/zinc/73/50/47/562735047.db2.gz JIILPKNLHUAGJM-NFDZKTDPSA-N 1 0 525.615 5.514 1 0 KKAFRO CN(C)C(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196354 562735128 /nfs/dbraw/zinc/73/51/28/562735128.db2.gz FXQFHLWYGIPPLB-DXZUDKFHSA-N 1 0 566.668 5.610 1 0 KKAFRO CNC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196352 562735138 /nfs/dbraw/zinc/73/51/38/562735138.db2.gz AZVSLUBBYSIRII-KOAJYHSYSA-N 1 0 552.641 5.268 1 0 KKAFRO CNC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196351 562735147 /nfs/dbraw/zinc/73/51/47/562735147.db2.gz AZVSLUBBYSIRII-FSOYUZNWSA-N 1 0 552.641 5.268 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000073220808 562736296 /nfs/dbraw/zinc/73/62/96/562736296.db2.gz SZEDSAUOSMHXRV-UHFFFAOYSA-N 1 0 585.030 7.410 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000073220811 562736303 /nfs/dbraw/zinc/73/63/03/562736303.db2.gz KCVMRCBFSCVBTH-UHFFFAOYSA-N 1 0 500.578 5.877 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nccs4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224169 562736599 /nfs/dbraw/zinc/73/65/99/562736599.db2.gz JANHUOBCFXTIKL-FHTJMNSISA-N 1 0 510.729 5.165 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccccc4Cl)c4ccccc4c3=O)CC2)c1 ZINC000073224503 562736688 /nfs/dbraw/zinc/73/66/88/562736688.db2.gz JOSLZDFDRWASRU-UHFFFAOYSA-N 1 0 515.057 5.945 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5o4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224880 562736765 /nfs/dbraw/zinc/73/67/65/562736765.db2.gz XCTOVKLMGQYVBN-UFLJZRJVSA-N 1 0 544.721 5.850 1 0 KKAFRO CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=[NH2+])N(C)[C@@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000073389950 562738558 /nfs/dbraw/zinc/73/85/58/562738558.db2.gz BRRBBMGKRWVXNP-CQSZACIVSA-N 1 0 539.458 5.483 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2C)c2cccc(F)c2)CC1 ZINC000082138052 562739143 /nfs/dbraw/zinc/73/91/43/562739143.db2.gz LVTIZLQTCNISDX-UHFFFAOYSA-N 1 0 661.760 5.198 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082150986 562739861 /nfs/dbraw/zinc/73/98/61/562739861.db2.gz KRTZTABXRLIXPM-WOJBJXKFSA-N 1 0 547.479 5.621 1 0 KKAFRO C[NH+]1CCC(COc2ccc3c(c2)ncnc3Nc2ccc(NC(=O)Nc3ccc(Br)cc3F)cc2)CC1 ZINC000082155146 562740432 /nfs/dbraw/zinc/74/04/32/562740432.db2.gz NUVLAIWRNGFACE-UHFFFAOYSA-N 1 0 579.474 6.640 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082155803 562740563 /nfs/dbraw/zinc/74/05/63/562740563.db2.gz YFKPCGSURNAABL-JGCGQSQUSA-N 1 0 621.609 5.753 1 0 KKAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(-c3cccc(C[NH2+]Cc4ccccc4)c3)c1)ccc2[O-] ZINC000082155691 562740603 /nfs/dbraw/zinc/74/06/03/562740603.db2.gz HXHAEKRMZXMRER-NDEPHWFRSA-N 1 0 525.674 5.118 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164707 562741209 /nfs/dbraw/zinc/74/12/09/562741209.db2.gz SZDNRBMQYZRUIM-QIKUIUABSA-N 1 0 691.862 5.110 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165090 562741361 /nfs/dbraw/zinc/74/13/61/562741361.db2.gz QXSAFGQAHODVKD-AFPLUKJUSA-N 1 0 726.307 5.764 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170264 562741478 /nfs/dbraw/zinc/74/14/78/562741478.db2.gz QGOMFWNTZLMDCP-FHPVIJFVSA-N 1 0 721.888 5.119 1 0 KKAFRO [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175476 562741653 /nfs/dbraw/zinc/74/16/53/562741653.db2.gz LIMJKIRESKWUFU-GOTSBHOMSA-N 1 0 666.816 7.736 1 0 KKAFRO COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)oc2c1 ZINC000084596672 562743792 /nfs/dbraw/zinc/74/37/92/562743792.db2.gz ZGZSZRMYJSHPOQ-UHFFFAOYSA-N 1 0 585.745 7.200 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000084601970 562743958 /nfs/dbraw/zinc/74/39/58/562743958.db2.gz DOXCXODFBWULSM-LEWJYISDSA-N 1 0 519.423 5.475 1 0 KKAFRO CC[C@H]([NH3+])c1oc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(Cl)cc1 ZINC000084604452 562744286 /nfs/dbraw/zinc/74/42/86/562744286.db2.gz MCCKQHWROTZNBD-KRWDZBQOSA-N 1 0 518.923 5.910 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084605415 562744353 /nfs/dbraw/zinc/74/43/53/562744353.db2.gz IJOCSKCDBYPCIX-NSHDSACASA-N 1 0 522.886 5.659 1 0 KKAFRO COc1ccc(C(=O)N(CC[C@@H]2CCC[N@@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000084616110 562744556 /nfs/dbraw/zinc/74/45/56/562744556.db2.gz OEXJNJYSGHNLML-SJQUQUAPSA-N 1 0 508.556 5.892 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@H]3C[N@@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084616229 562744563 /nfs/dbraw/zinc/74/45/63/562744563.db2.gz UGZLOXSYSUEOAM-RPBOFIJWSA-N 1 0 556.101 6.036 1 0 KKAFRO Cc1c(NCC[NH+]2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(c2ncnc3n[nH]c(Br)c32)CC1 ZINC000084616380 562744615 /nfs/dbraw/zinc/74/46/15/562744615.db2.gz BZWINHLDUBAFJC-UHFFFAOYSA-N 1 0 569.596 5.237 1 0 KKAFRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)C1 ZINC000084617871 562745009 /nfs/dbraw/zinc/74/50/09/562745009.db2.gz LNIHDGIRNYROME-XZOQPEGZSA-N 1 0 545.049 6.163 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(-c2cc4ccccc4[nH]2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084619775 562745327 /nfs/dbraw/zinc/74/53/27/562745327.db2.gz PEVGGKJDMNPGDS-UHFFFAOYSA-N 1 0 571.653 7.084 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(F)c2)n1 ZINC000084634584 562745932 /nfs/dbraw/zinc/74/59/32/562745932.db2.gz BLHIUOFSVQAHDS-BJKOFHAPSA-N 1 0 559.076 6.472 1 0 KKAFRO O=C(C[C@@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084634866 562746008 /nfs/dbraw/zinc/74/60/08/562746008.db2.gz JBWUFPJPOHNINP-SSEXGKCCSA-N 1 0 619.574 6.009 1 0 KKAFRO [NH3+][C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084652472 562746528 /nfs/dbraw/zinc/74/65/28/562746528.db2.gz WHKHKRMWZFJQBP-IIXSRDTASA-N 1 0 543.600 5.661 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652403 562746540 /nfs/dbraw/zinc/74/65/40/562746540.db2.gz BVBOTXZHHHFXGV-GKPJMAKXSA-N 1 0 592.743 8.209 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084652471 562746557 /nfs/dbraw/zinc/74/65/57/562746557.db2.gz MVEZHAKRMLTOJH-TYPXCFOJSA-N 1 0 547.477 6.383 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084653678 562746946 /nfs/dbraw/zinc/74/69/46/562746946.db2.gz ZIPHWEXKCPWMMU-JWZKTCGFSA-N 1 0 528.047 5.433 1 0 KKAFRO Cc1cc(C[NH+](C)C)sc1-c1cnc(N)c(-c2ccc(C(N)=O)c(O[C@H](C)c3ccccc3C(F)(F)F)c2)c1 ZINC000084654429 562747278 /nfs/dbraw/zinc/74/72/78/562747278.db2.gz OQOJDWGAZXHBJD-QGZVFWFLSA-N 1 0 554.638 6.687 1 0 KKAFRO COc1c(C(C)(C)C)cc(CN2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668473 562747602 /nfs/dbraw/zinc/74/76/02/562747602.db2.gz XRYLRSPQAGGXGI-UHFFFAOYSA-N 1 0 590.843 9.079 1 0 KKAFRO COc1c(C(C)(C)C)cc(CN2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671292 562748529 /nfs/dbraw/zinc/74/85/29/562748529.db2.gz WYNCUEJLIAVRPR-MUUNZHRXSA-N 1 0 604.870 9.372 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccc(-c5cncnc5)cc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084672508 562748794 /nfs/dbraw/zinc/74/87/94/562748794.db2.gz GIDNAZYCGIBNKS-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO C[C@H](Oc1cc(-c2nc(-c3cccc(C[NH+](C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712427 562750772 /nfs/dbraw/zinc/75/07/72/562750772.db2.gz QJRLRIHVMQQFHO-KRWDZBQOSA-N 1 0 535.570 5.712 1 0 KKAFRO Cc1nc([C@@H](C)N(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084712444 562750776 /nfs/dbraw/zinc/75/07/76/562750776.db2.gz GLKLNERYMVOUTP-GZGVDWRWSA-N 1 0 613.872 8.657 1 0 KKAFRO C[C@@H](Oc1cc(-c2nc(-c3cccc(C[NH+](C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712429 562750801 /nfs/dbraw/zinc/75/08/01/562750801.db2.gz QJRLRIHVMQQFHO-QGZVFWFLSA-N 1 0 535.570 5.712 1 0 KKAFRO COc1c(C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC[C@@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C ZINC000084758464 562752631 /nfs/dbraw/zinc/75/26/31/562752631.db2.gz SYTCYUDZWUIXOD-VIZCGCQYSA-N 1 0 533.757 5.576 1 0 KKAFRO COc1c(C(C)C)cc(C(=O)NC[C@H]2CCN(C(=O)CCCC[C@@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000084758456 562752652 /nfs/dbraw/zinc/75/26/52/562752652.db2.gz NOAVFVRVYCXART-NSJVFKKDSA-N 1 0 589.865 7.206 1 0 KKAFRO COc1cc(CN2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000084759420 562752922 /nfs/dbraw/zinc/75/29/22/562752922.db2.gz LGWUJYVVGNWGQS-UHFFFAOYSA-N 1 0 524.652 6.198 1 0 KKAFRO C[NH2+]CCc1cc(Br)c(OCCCNC(=O)C2=NO[C@]3(C2)CC(Br)=C(OC)C(Br)=CO3)c(Br)c1 ZINC000095539237 562754905 /nfs/dbraw/zinc/75/49/05/562754905.db2.gz SVQWCRXJQYHZEQ-QFIPXVFZSA-N 1 0 731.074 5.241 1 0 KKAFRO O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540083 562755510 /nfs/dbraw/zinc/75/55/10/562755510.db2.gz BHZYDNYEQNZRJY-FPGXKDDPSA-N 1 0 746.997 5.365 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)NCc2ccccc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095540785 562756011 /nfs/dbraw/zinc/75/60/11/562756011.db2.gz IQJHHVSVXUMNRI-JTTJSRJUSA-N 1 0 788.902 5.448 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095542029 562756473 /nfs/dbraw/zinc/75/64/73/562756473.db2.gz KBPBCEDQPUACDU-RWYGWLOXSA-N 1 0 759.908 5.023 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095543148 562757116 /nfs/dbraw/zinc/75/71/16/562757116.db2.gz WJEAYMAHIVBPGF-HUESYALOSA-N 1 0 773.733 8.325 1 0 KKAFRO O=C([O-])[C@@H](CC1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000095543547 562757314 /nfs/dbraw/zinc/75/73/14/562757314.db2.gz DDFIOPXESZZFRO-AVXDPSIRSA-N 1 0 570.740 7.549 1 0 KKAFRO Cc1c(C(=O)NCC[NH2+]CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000095544794 562757856 /nfs/dbraw/zinc/75/78/56/562757856.db2.gz BAXHFHNXVCEHCG-UHFFFAOYSA-N 1 0 830.431 9.679 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548861 562759546 /nfs/dbraw/zinc/75/95/46/562759546.db2.gz NEUMPLGRWKXMEG-ATBXQPEQSA-N 1 0 754.847 5.600 1 0 KKAFRO C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548854 562759570 /nfs/dbraw/zinc/75/95/70/562759570.db2.gz LSIFUWIWPRWHMV-CWXSISCDSA-N 1 0 778.844 6.372 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2ccc3ccccc3n2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095549253 562759832 /nfs/dbraw/zinc/75/98/32/562759832.db2.gz LSWQSGGGZBUJOV-QRFXEOMOSA-N 1 0 765.945 5.110 1 0 KKAFRO C[NH+](CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1ccccc21)CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1ccccc21 ZINC000095550049 562759901 /nfs/dbraw/zinc/75/99/01/562759901.db2.gz JXDGWXNYEUHHHJ-UHFFFAOYSA-N 1 0 823.612 10.156 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2C[C@@H]([NH+](C)C)C[C@@H](C)O2)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095551790 562760443 /nfs/dbraw/zinc/76/04/43/562760443.db2.gz HUENWTLOXJUFDB-RKBGGDOWSA-N 1 0 749.946 6.139 1 0 KKAFRO Cc1ccc(COc2cc(OCc3ccc(C)cc3)cc(-c3cc(=O)c4ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc4o3)c2)cc1 ZINC000095553056 562760890 /nfs/dbraw/zinc/76/08/90/562760890.db2.gz UNYBXMNZUVDUIS-SSEXGKCCSA-N 1 0 607.747 7.363 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3cccc(F)c3)cc2)oc2ccccc12 ZINC000095554825 562761431 /nfs/dbraw/zinc/76/14/31/562761431.db2.gz AGAGQZFZLXIPDR-UHFFFAOYSA-N 1 0 741.812 8.366 1 0 KKAFRO Nc1sc(-c2ccccc2)c(CN2CCN(c3ccccc3C(F)(F)F)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095557011 562761905 /nfs/dbraw/zinc/76/19/05/562761905.db2.gz ALALCCQLCWZUAN-UHFFFAOYSA-N 1 0 556.053 7.223 1 0 KKAFRO C[C@H]([NH3+])C(=O)N(CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1)CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000095558212 562762384 /nfs/dbraw/zinc/76/23/84/562762384.db2.gz RTSZNEVXBRXASI-NDEPHWFRSA-N 1 0 704.776 5.900 1 0 KKAFRO Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc(C(F)(F)F)cc3)c2s1 ZINC000095561358 562763332 /nfs/dbraw/zinc/76/33/32/562763332.db2.gz NDPLWRFRPYSHLT-PMERELPUSA-O 1 0 694.756 5.984 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC[NH2+]CC4)sc3n2)c1 ZINC000095562406 562763696 /nfs/dbraw/zinc/76/36/96/562763696.db2.gz UTXWKRHTJNADQG-UHFFFAOYSA-N 1 0 525.556 5.568 1 0 KKAFRO CCCCc1sc(-c2ccc(OC[C@H]3CCC[N@H+](CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563335 562763949 /nfs/dbraw/zinc/76/39/49/562763949.db2.gz WROFIVGZFHZPEZ-DEOSSOPVSA-N 1 0 561.191 9.376 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095565251 562764576 /nfs/dbraw/zinc/76/45/76/562764576.db2.gz ISYWMCSQLOVTPH-MZXMJASYSA-N 1 0 643.829 5.078 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566443 562765011 /nfs/dbraw/zinc/76/50/11/562765011.db2.gz PSWWDIXZTPANEG-JCGBMYGUSA-N 1 0 647.769 5.771 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566616 562765161 /nfs/dbraw/zinc/76/51/61/562765161.db2.gz FKTABSPDLVGIRZ-LQHOUDLQSA-N 1 0 710.872 7.140 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095566759 562765255 /nfs/dbraw/zinc/76/52/55/562765255.db2.gz TWIGAEAIANFZGS-ASHZAFPQSA-N 1 0 602.629 5.841 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095566999 562765395 /nfs/dbraw/zinc/76/53/95/562765395.db2.gz GEPWAINBAFOOPW-FQWYTPLZSA-N 1 0 613.799 6.279 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567005 562765407 /nfs/dbraw/zinc/76/54/07/562765407.db2.gz DVQUFFYKIBJZKN-HSHANODTSA-N 1 0 656.827 7.432 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567087 562765466 /nfs/dbraw/zinc/76/54/66/562765466.db2.gz GQWDZONLPIYMSR-SYHDGPRRSA-N 1 0 672.826 7.557 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567444 562765780 /nfs/dbraw/zinc/76/57/80/562765780.db2.gz UIWHTZIAIXNFGN-UXVOWUFOSA-N 1 0 718.880 6.249 1 0 KKAFRO 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 ZINC000095567803 562766097 /nfs/dbraw/zinc/76/60/97/562766097.db2.gz XGMQKVJTWVADHD-MJZSVGSSSA-N 1 0 714.826 7.286 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000095567846 562766154 /nfs/dbraw/zinc/76/61/54/562766154.db2.gz YABSBZZUJWTBJP-ZYADHFCISA-N 1 0 670.005 6.129 3 0 KKAFRO 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 ZINC000095568051 562766299 /nfs/dbraw/zinc/76/62/99/562766299.db2.gz LZRMYYQDLQFCEK-BUACAMDTSA-N 1 0 728.809 7.006 1 0 KKAFRO COc1cc(OC)nc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc2C)n1 ZINC000095568159 562766400 /nfs/dbraw/zinc/76/64/00/562766400.db2.gz SRILUZWRNIXOEA-WJOKGBTCSA-N 1 0 552.675 5.712 3 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568313 562766508 /nfs/dbraw/zinc/76/65/08/562766508.db2.gz GQPLODGYDYCVNT-PHKGMDLESA-N 1 0 650.625 5.084 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569241 562767305 /nfs/dbraw/zinc/76/73/05/562767305.db2.gz BZQGFEPSUFQXHE-RDXDNIQESA-N 1 0 648.225 6.160 1 0 KKAFRO 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 ZINC000095569743 562767629 /nfs/dbraw/zinc/76/76/29/562767629.db2.gz NGQWRAJVXVPGQM-KECSPFHLSA-N 1 0 668.770 5.656 1 0 KKAFRO 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 ZINC000095570017 562767870 /nfs/dbraw/zinc/76/78/70/562767870.db2.gz FGZYRMRERWZGKV-BALWLHIASA-N 1 0 614.665 5.710 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570116 562767888 /nfs/dbraw/zinc/76/78/88/562767888.db2.gz QLJXCVWJUUTTMH-JVAKCPTJSA-N 1 0 606.572 5.146 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570193 562768039 /nfs/dbraw/zinc/76/80/39/562768039.db2.gz UIWHTZIAIXNFGN-AZAGJHQNSA-N 1 0 718.880 6.249 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570348 562768107 /nfs/dbraw/zinc/76/81/07/562768107.db2.gz OFYJPRSBIVOGOZ-LRZFZUCMSA-N 1 0 666.663 6.649 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570793 562768498 /nfs/dbraw/zinc/76/84/98/562768498.db2.gz ILRCCMQCDZZMAZ-DFRLRCAJSA-N 1 0 706.265 5.327 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570917 562768603 /nfs/dbraw/zinc/76/86/03/562768603.db2.gz DTGXRBNGNVLSQA-UJGIGBKRSA-N 1 0 672.911 7.791 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095571359 562768984 /nfs/dbraw/zinc/76/89/84/562768984.db2.gz VEYXNSARLJIJRR-DOKVQHETSA-N 1 0 684.800 7.277 1 0 KKAFRO 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 ZINC000095571379 562769022 /nfs/dbraw/zinc/76/90/22/562769022.db2.gz LZRMYYQDLQFCEK-WBSRRFCYSA-N 1 0 728.809 7.006 1 0 KKAFRO 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(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095571494 562769042 /nfs/dbraw/zinc/76/90/42/562769042.db2.gz GVXBSEWFCYEYHS-WOEJUUGOSA-N 1 0 786.008 6.558 1 0 KKAFRO 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)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095571426 562769047 /nfs/dbraw/zinc/76/90/47/562769047.db2.gz LMBSBKQGYSXUIA-IBDOFWSNSA-N 1 0 798.853 8.031 1 0 KKAFRO CC[NH+](CC)CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000095572301 562769374 /nfs/dbraw/zinc/76/93/74/562769374.db2.gz ZNAYQMLUMSHALT-UHFFFAOYSA-N 1 0 507.465 7.582 1 0 KKAFRO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572686 562769479 /nfs/dbraw/zinc/76/94/79/562769479.db2.gz JBBICBSNEXRPNM-RBISFHTESA-N 1 0 524.662 5.003 1 0 KKAFRO CC(C)[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095573890 562769795 /nfs/dbraw/zinc/76/97/95/562769795.db2.gz YZLHFBDVFXMNTL-PAJWBHGYSA-N 1 0 503.046 5.637 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000095573894 562769813 /nfs/dbraw/zinc/76/98/13/562769813.db2.gz MPQKHSORMADZLH-UHFFFAOYSA-N 1 0 503.046 7.362 1 0 KKAFRO CC(C)C1=C(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095574838 562770088 /nfs/dbraw/zinc/77/00/88/562770088.db2.gz ISDUIMHLTMDUCG-FYSHCQJKSA-N 1 0 529.537 6.271 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C4CC4)c(-n4cc(-c5cnc6n[nH]cc6c5)nn4)c3)cc2C(F)(F)F)CC1 ZINC000095575873 562770457 /nfs/dbraw/zinc/77/04/57/562770457.db2.gz VASBUQQNBORQFF-UHFFFAOYSA-N 1 0 601.637 5.102 1 0 KKAFRO O=C(NC1CCN(c2ccc(C[NH+]3CCC(NC(=O)c4cccc(-c5cccnc5)c4)CC3)cn2)CC1)c1cccc(-c2cccnc2)c1 ZINC000095576171 562770589 /nfs/dbraw/zinc/77/05/89/562770589.db2.gz CHEGQSMAFNABCA-UHFFFAOYSA-N 1 0 651.815 5.999 1 0 KKAFRO O=C(CCCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095576819 562770732 /nfs/dbraw/zinc/77/07/32/562770732.db2.gz OKSRYUGDYGQOSF-UHFFFAOYSA-N 1 0 527.694 5.964 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577452 562770960 /nfs/dbraw/zinc/77/09/60/562770960.db2.gz AQMQWKFSMIRRJA-OGICNVKRSA-N 1 0 565.113 6.684 1 0 KKAFRO CC(=O)N[C@@H](Cc1ccc(C(F)(F)F)c(F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577800 562771083 /nfs/dbraw/zinc/77/10/83/562771083.db2.gz NOEBJLGZGKXWLU-CCDWMCETSA-N 1 0 551.625 5.272 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(Br)cc5F)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095579228 562771491 /nfs/dbraw/zinc/77/14/91/562771491.db2.gz GVZBXXCSWXSGHS-UHFFFAOYSA-N 1 0 565.495 6.082 1 0 KKAFRO CO[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000095579284 562771510 /nfs/dbraw/zinc/77/15/10/562771510.db2.gz XSKVQIBZHKGXKX-QVDUQQMDSA-N 1 0 501.026 5.461 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000095582631 562772647 /nfs/dbraw/zinc/77/26/47/562772647.db2.gz FXXJFJZPESCIJK-QPJJXVBHSA-N 1 0 558.992 5.873 1 0 KKAFRO CC(C)[C@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1cccc(F)c1 ZINC000095582939 562772771 /nfs/dbraw/zinc/77/27/71/562772771.db2.gz MHAHUTAEMRYGPD-AREMUKBSSA-N 1 0 521.036 5.426 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000095585193 562773541 /nfs/dbraw/zinc/77/35/41/562773541.db2.gz YVMRZYPIAAUZMZ-JWQCQUIFSA-N 1 0 523.073 5.489 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095588425 562774638 /nfs/dbraw/zinc/77/46/38/562774638.db2.gz UPZKEWGLPMGEIV-PPMCTTEPSA-N 1 0 507.715 5.338 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095589883 562775108 /nfs/dbraw/zinc/77/51/08/562775108.db2.gz YYGPGGFPRRXHSI-GIZYTINFSA-N 1 0 521.742 5.728 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)CC[N@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095590972 562775479 /nfs/dbraw/zinc/77/54/79/562775479.db2.gz CQOXFZXXVWFHCB-UHFFFAOYSA-N 1 0 719.835 6.566 1 0 KKAFRO CC[NH+](CC)CCn1c(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)ncc1-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095591164 562775510 /nfs/dbraw/zinc/77/55/10/562775510.db2.gz DPRSQULPXINYIP-UHFFFAOYSA-N 1 0 675.796 8.103 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C(C)(C)c4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095594502 562776496 /nfs/dbraw/zinc/77/64/96/562776496.db2.gz LQLCROADILIUGE-UHFFFAOYSA-N 1 0 554.687 6.862 1 0 KKAFRO O=C(N[C@H](C(=O)Nc1cc([C@H](O)C[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095596526 562776998 /nfs/dbraw/zinc/77/69/98/562776998.db2.gz DZUXVCBPFLNAAX-GPOMZPHUSA-N 1 0 613.714 6.347 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]Cc4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095596763 562777076 /nfs/dbraw/zinc/77/70/76/562777076.db2.gz XJKNQOMSWPOTHV-UHFFFAOYSA-N 1 0 526.633 6.127 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095598721 562777496 /nfs/dbraw/zinc/77/74/96/562777496.db2.gz ZKPAWGOFKUDAFA-PIMCHDTMSA-N 1 0 685.788 6.672 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095598785 562777567 /nfs/dbraw/zinc/77/75/67/562777567.db2.gz KVYNYDNSHYPGTF-GHVZQYPWSA-N 1 0 669.785 6.885 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599390 562778067 /nfs/dbraw/zinc/77/80/67/562778067.db2.gz KTOLAWMRFLMANX-WMVXZGOPSA-N 1 0 683.812 6.814 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095599417 562778083 /nfs/dbraw/zinc/77/80/83/562778083.db2.gz ORTMWWQHMCADOR-MEEIBLSFSA-N 1 0 741.178 7.375 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095599478 562778104 /nfs/dbraw/zinc/77/81/04/562778104.db2.gz RZMKFQMJULYPIX-IGHHUVOLSA-N 1 0 657.833 5.444 1 0 KKAFRO 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 ZINC000095599672 562778218 /nfs/dbraw/zinc/77/82/18/562778218.db2.gz UIKXZKCHSBRXDR-BWLKTWDLSA-N 1 0 705.840 6.434 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599666 562778246 /nfs/dbraw/zinc/77/82/46/562778246.db2.gz PBKGJIYWLALRHB-KMRPOYNRSA-N 1 0 660.815 6.504 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095599952 562778489 /nfs/dbraw/zinc/77/84/89/562778489.db2.gz KVYNYDNSHYPGTF-WYOWBBOASA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778523 /nfs/dbraw/zinc/77/85/23/562778523.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N 1 0 620.599 5.075 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)O3)cc1 ZINC000095600518 562778952 /nfs/dbraw/zinc/77/89/52/562778952.db2.gz GNVPCHVWJKYRPL-GAIIXZKLSA-N 1 0 647.817 5.662 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600729 562779177 /nfs/dbraw/zinc/77/91/77/562779177.db2.gz UQRVVYXDOOLUAO-MJQNYGCISA-N 1 0 723.830 6.573 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600968 562779375 /nfs/dbraw/zinc/77/93/75/562779375.db2.gz KTOLAWMRFLMANX-BGNUVLEZSA-N 1 0 683.812 6.814 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095601988 562779812 /nfs/dbraw/zinc/77/98/12/562779812.db2.gz QMCFBRPLMVFDBX-GAQVVXLESA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601941 562779830 /nfs/dbraw/zinc/77/98/30/562779830.db2.gz XJOPVLQFFGEWNL-IQLGONJTSA-N 1 0 597.678 5.168 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095602054 562779918 /nfs/dbraw/zinc/77/99/18/562779918.db2.gz LAXKRDZIEUDFQR-SANMLTNESA-N 1 0 591.552 6.883 3 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH2+]CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602213 562779934 /nfs/dbraw/zinc/77/99/34/562779934.db2.gz UXSNZUUICCVQKN-WCTVFOPTSA-N 1 0 503.400 5.090 1 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@H+](Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095602420 562780112 /nfs/dbraw/zinc/78/01/12/562780112.db2.gz GFBOARZMZBDAJD-OXYPMYLPSA-N 1 0 573.738 5.286 1 0 KKAFRO 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 ZINC000095603380 562780493 /nfs/dbraw/zinc/78/04/93/562780493.db2.gz ZBBNPLMVFVREHD-PNCWTNKOSA-N 1 0 719.867 6.742 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095603772 562780622 /nfs/dbraw/zinc/78/06/22/562780622.db2.gz KVYNYDNSHYPGTF-GAIIXZKLSA-N 1 0 669.785 6.885 1 0 KKAFRO 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 ZINC000095603732 562780633 /nfs/dbraw/zinc/78/06/33/562780633.db2.gz ZBBNPLMVFVREHD-GBJJYOARSA-N 1 0 719.867 6.742 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604308 562780902 /nfs/dbraw/zinc/78/09/02/562780902.db2.gz NIQNUTWSSZLHED-GWZRSYOGSA-N 1 0 643.891 5.795 1 0 KKAFRO COc1ccc(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 ZINC000095605169 562781436 /nfs/dbraw/zinc/78/14/36/562781436.db2.gz LFZLAWVTNRSJHJ-JALBGMRZSA-N 1 0 735.866 6.442 1 0 KKAFRO NC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095609962 562784130 /nfs/dbraw/zinc/78/41/30/562784130.db2.gz MZGUDDOPVAJERM-AARKOHAPSA-N 1 0 818.753 6.670 1 0 KKAFRO O=C(CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095613070 562786037 /nfs/dbraw/zinc/78/60/37/562786037.db2.gz DWGYAYNOIHHYMB-HSRKOBERSA-N 1 0 771.881 6.434 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)Nc2ccccc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095615088 562787067 /nfs/dbraw/zinc/78/70/67/562787067.db2.gz NTZJPXIKZXXZLN-PGQTVUBTSA-N 1 0 774.875 5.770 1 0 KKAFRO CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000095615688 562787437 /nfs/dbraw/zinc/78/74/37/562787437.db2.gz FEUFUIYJXCOHJM-UIUQJESISA-N 1 0 757.524 5.512 1 0 KKAFRO COc1cc2c(cc1OCCCCCN1CC[NH+](CCCCCOc3cc4c(cc3OC)C(=O)N3CC(F)(F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000095615696 562787445 /nfs/dbraw/zinc/78/74/45/562787445.db2.gz GQNPTNQAXIZEAO-NSOVKSMOSA-N 1 0 786.868 6.251 1 0 KKAFRO COc1cccc(C[N@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095665893 562788201 /nfs/dbraw/zinc/78/82/01/562788201.db2.gz DIYZUOHLOSFTTI-BKZGZDJESA-N 1 0 555.719 5.344 1 0 KKAFRO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670057 562788239 /nfs/dbraw/zinc/78/82/39/562788239.db2.gz DTCLOSIOZCFUAJ-CUBQBAPOSA-N 1 0 515.572 6.180 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)[N@H+](CCc2ccccc2)C[C@H]1C ZINC000095680344 562788388 /nfs/dbraw/zinc/78/83/88/562788388.db2.gz TZZLBCBTMQSMPL-BOYVUMAVSA-N 1 0 550.744 5.190 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095700773 562788558 /nfs/dbraw/zinc/78/85/58/562788558.db2.gz AEAUQEWSZQQTML-OXYPMYLPSA-N 1 0 552.675 5.288 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)O3)cc1 ZINC000095755203 562788869 /nfs/dbraw/zinc/78/88/69/562788869.db2.gz QTHBIZIZCLMCFV-DDFCPOBKSA-N 1 0 566.743 5.000 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095772492 562788930 /nfs/dbraw/zinc/78/89/30/562788930.db2.gz ZNTPGUKYHQEGJK-AWYDNWMNSA-N 1 0 640.756 6.543 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095850016 562789484 /nfs/dbraw/zinc/78/94/84/562789484.db2.gz SYWCYXHAIYXQLV-NKQBKRSGSA-N 1 0 640.124 5.512 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(CC[NH+]4CCCC4)C(C)C)cc3)nc12 ZINC000096167805 562790564 /nfs/dbraw/zinc/79/05/64/562790564.db2.gz WRRNKRZAWCITEC-UHFFFAOYSA-N 1 0 599.588 6.546 1 0 KKAFRO CC(C)C[NH+]1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 ZINC000096170438 562791106 /nfs/dbraw/zinc/79/11/06/562791106.db2.gz QWZHYWFCPXZCPR-SHQCIBLASA-N 1 0 504.502 5.768 1 0 KKAFRO O=C1Nc2ncccc2[C@@]12Cc1cc3cc(CN4C(=O)C5(CCCC5)[NH2+]CC[C@H]4c4cc(F)cc(F)c4)cnc3cc1C2 ZINC000096170602 562791167 /nfs/dbraw/zinc/79/11/67/562791167.db2.gz KXRRPJKJUYVHLS-ZQAZVOLISA-N 1 0 579.651 5.273 1 0 KKAFRO CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCC[NH+](C)C)cc2n1Cc1ccccc1 ZINC000096172083 562791236 /nfs/dbraw/zinc/79/12/36/562791236.db2.gz CFBLBYAIWLIWFQ-UHFFFAOYSA-N 1 0 505.609 5.962 1 0 KKAFRO CC(C)Oc1ccc2c(c1)n(Cc1ccccn1)c(C[NH+]1CCCC1)c2C(=O)NCc1ccc(F)c(F)c1 ZINC000096172172 562791280 /nfs/dbraw/zinc/79/12/80/562791280.db2.gz RGNMOECLMIXFNJ-UHFFFAOYSA-N 1 0 518.608 5.676 1 0 KKAFRO COc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174115 562791680 /nfs/dbraw/zinc/79/16/80/562791680.db2.gz XDNUOJKCZLHVBJ-UHFFFAOYSA-N 1 0 572.673 5.848 1 0 KKAFRO O=C(NCCc1cccs1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174114 562791716 /nfs/dbraw/zinc/79/17/16/562791716.db2.gz MWOQSYNNLOPPDD-UHFFFAOYSA-N 1 0 576.730 5.621 1 0 KKAFRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174136 562791763 /nfs/dbraw/zinc/79/17/63/562791763.db2.gz ITWFYXDYDCDHKY-UHFFFAOYSA-N 1 0 523.641 5.542 1 0 KKAFRO C[C@@H]1CN(C(=O)N(C[C@@H]2C[NH2+]C[C@@H]2F)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2ccccc2)C(C)(C)C)C[C@H](C)O1 ZINC000096174212 562791773 /nfs/dbraw/zinc/79/17/73/562791773.db2.gz AWBVBYIKAUDSGH-KHNIKYAWSA-N 1 0 598.714 5.448 1 0 KKAFRO CC[NH+]1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175737 562791938 /nfs/dbraw/zinc/79/19/38/562791938.db2.gz YFWCDHZKTPLXKQ-UHFFFAOYSA-N 1 0 646.818 5.149 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CC[NH2+]CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175746 562791974 /nfs/dbraw/zinc/79/19/74/562791974.db2.gz LRPMPLNARYFRJG-UHFFFAOYSA-N 1 0 617.776 5.474 1 0 KKAFRO COc1cc(C2CCN(C(=O)C[NH+](C)C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177885 562792403 /nfs/dbraw/zinc/79/24/03/562792403.db2.gz WDSNTGJGKMCZDG-UHFFFAOYSA-N 1 0 615.200 5.384 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CC(N)=O)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177914 562792450 /nfs/dbraw/zinc/79/24/50/562792450.db2.gz OPQBNVZCTRGBOG-UHFFFAOYSA-N 1 0 634.807 5.091 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](C[C@@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177927 562792486 /nfs/dbraw/zinc/79/24/86/562792486.db2.gz KURNKEVLTNXFLU-MUUNZHRXSA-N 1 0 689.805 6.529 1 0 KKAFRO COc1cc(C2CC[NH+](C)CC2)c(C)cc1Nc1nc2n[nH]c(C)c2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177921 562792490 /nfs/dbraw/zinc/79/24/90/562792490.db2.gz XVAKMYLGYSJODB-UHFFFAOYSA-N 1 0 563.728 5.457 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH2+]CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177939 562792546 /nfs/dbraw/zinc/79/25/46/562792546.db2.gz VUGDJGIVLPQEJZ-UHFFFAOYSA-N 1 0 576.767 6.498 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258647 562792951 /nfs/dbraw/zinc/79/29/51/562792951.db2.gz FOIYVDLETGQHDE-UHFFFAOYSA-N 1 0 510.598 5.018 1 0 KKAFRO CCCc1scc(-c2cn[nH]c2)c1C[C@@H](NC1=[NH+]C(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269757 562793004 /nfs/dbraw/zinc/79/30/04/562793004.db2.gz VZGLRGZNIAWDHX-JOCHJYFZSA-N 1 0 521.090 5.482 1 0 KKAFRO CC(C)[NH+]1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1 ZINC000096269941 562793104 /nfs/dbraw/zinc/79/31/04/562793104.db2.gz NKYCOBGQTJWNEM-UHFFFAOYSA-N 1 0 534.676 7.454 1 0 KKAFRO C[C@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270052 562793110 /nfs/dbraw/zinc/79/31/10/562793110.db2.gz VPSJQWYDLMDCOQ-MHZLTWQESA-N 1 0 656.799 8.179 1 0 KKAFRO C[C@@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270073 562793123 /nfs/dbraw/zinc/79/31/23/562793123.db2.gz PDRCRSNEMYGWMI-JOCHJYFZSA-N 1 0 586.664 6.229 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3ccccc3c2=O)cc1F ZINC000096270737 562793349 /nfs/dbraw/zinc/79/33/49/562793349.db2.gz ZYRMNEUJELXMAA-UHFFFAOYSA-N 1 0 701.799 7.935 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3ccccc3c2=O)cc1F ZINC000096270760 562793358 /nfs/dbraw/zinc/79/33/58/562793358.db2.gz NZTZNGJHLDGDDB-UHFFFAOYSA-N 1 0 708.190 8.034 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCc2ccc(Cl)cc2)c2ccccc2)c1Cl ZINC000096271210 562793724 /nfs/dbraw/zinc/79/37/24/562793724.db2.gz BXCHXSORJPOPIY-VWLOTQADSA-N 1 0 540.926 7.573 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCc2ccc(O)cc2)c2ccccc2)c1Cl ZINC000096271211 562793735 /nfs/dbraw/zinc/79/37/35/562793735.db2.gz LWZQVTFKRIYOLA-VWLOTQADSA-N 1 0 522.480 6.625 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284301 562795078 /nfs/dbraw/zinc/79/50/78/562795078.db2.gz RQTUVSVQNVSIKU-DSBYRVASSA-N 1 0 542.564 6.821 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3cc4c(cc32)OCO4)C1 ZINC000096284316 562795111 /nfs/dbraw/zinc/79/51/11/562795111.db2.gz QWHFPXRGLCTIKB-MZEQIWSPSA-N 1 0 556.547 6.541 1 0 KKAFRO Cc1ccccc1N1CCC(C[NH+]2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000096285393 562795563 /nfs/dbraw/zinc/79/55/63/562795563.db2.gz LNIHUJWMYNLPMN-YTTGMZPUSA-N 1 0 514.758 6.487 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2Cl)CC1 ZINC000096285409 562795666 /nfs/dbraw/zinc/79/56/66/562795666.db2.gz KOCOTUUHHFPNEF-PIKZIKFNSA-N 1 0 567.178 5.531 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285528 562795781 /nfs/dbraw/zinc/79/57/81/562795781.db2.gz VBKYKJZFJATBDB-MMTVBGGISA-N 1 0 657.565 5.100 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285536 562795802 /nfs/dbraw/zinc/79/58/02/562795802.db2.gz IYAXXUOLQDPMLM-SIBVEZHUSA-N 1 0 633.518 5.036 1 0 KKAFRO C[C@@H](Sc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c(F)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285912 562795952 /nfs/dbraw/zinc/79/59/52/562795952.db2.gz QEQQZFQDMUHOME-QGZVFWFLSA-N 1 0 591.555 7.470 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302069 562796257 /nfs/dbraw/zinc/79/62/57/562796257.db2.gz ZLYNHSASOQYQSU-ABAVYFCKSA-N 1 0 572.769 6.171 1 0 KKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096887216 562796628 /nfs/dbraw/zinc/79/66/28/562796628.db2.gz GJDOIMQYOCGNNN-VEQXFWRMSA-N 1 0 536.757 6.365 1 0 KKAFRO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000096901339 562797051 /nfs/dbraw/zinc/79/70/51/562797051.db2.gz QWBJTXQXVHSIER-UHFFFAOYSA-N 1 0 565.589 6.613 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccc([S@@](C)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903704 562797971 /nfs/dbraw/zinc/79/79/71/562797971.db2.gz XJQISSRYLJVOQK-CBWMPJGPSA-N 1 0 623.646 7.114 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(N2CCCNC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903710 562798011 /nfs/dbraw/zinc/79/80/11/562798011.db2.gz LARXFZKZABEBQE-XMMPIXPASA-N 1 0 567.561 6.272 1 0 KKAFRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c[nH]c3=O)c(OC)c2)CC1 ZINC000096905628 562798583 /nfs/dbraw/zinc/79/85/83/562798583.db2.gz COMJDCJYPMUKSJ-MRXNPFEDSA-N 1 0 563.457 5.364 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908956 562799456 /nfs/dbraw/zinc/79/94/56/562799456.db2.gz ZTMPHQXTHAWMHG-NRFANRHFSA-N 1 0 631.202 7.849 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908954 562799480 /nfs/dbraw/zinc/79/94/80/562799480.db2.gz ZNPKFEGUGOMABZ-UHFFFAOYSA-N 1 0 596.757 7.116 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908949 562799483 /nfs/dbraw/zinc/79/94/83/562799483.db2.gz UREPPIQHESDSLK-QHCPKHFHSA-N 1 0 610.784 7.504 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H]([NH2+]CCc5ccccn5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096916610 562801273 /nfs/dbraw/zinc/80/12/73/562801273.db2.gz PODCQVWPLFQCDN-FZOAJCDESA-N 1 0 506.819 7.883 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c3cc(F)ccc3n2)cc1 ZINC000096923711 562802136 /nfs/dbraw/zinc/80/21/36/562802136.db2.gz ACLUFQYNCIXYPM-UHFFFAOYSA-N 1 0 690.747 8.655 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923598 562802144 /nfs/dbraw/zinc/80/21/44/562802144.db2.gz HBJAUIGRDDZSRE-SSEXGKCCSA-N 1 0 600.751 5.898 1 0 KKAFRO CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000096928316 562802850 /nfs/dbraw/zinc/80/28/50/562802850.db2.gz IIKPZXNHNNUOAD-UHFFFAOYSA-N 1 0 614.146 5.965 1 0 KKAFRO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932306 562803349 /nfs/dbraw/zinc/80/33/49/562803349.db2.gz YMJQDVLBCYWGJQ-UHFFFAOYSA-N 1 0 651.739 6.514 1 0 KKAFRO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932298 562803365 /nfs/dbraw/zinc/80/33/65/562803365.db2.gz MOEHDAJDAXQSOW-UHFFFAOYSA-N 1 0 636.724 7.753 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3F)n2)cc1F ZINC000096935349 562804089 /nfs/dbraw/zinc/80/40/89/562804089.db2.gz VHCBNYHCIPMGJM-UHFFFAOYSA-N 1 0 643.666 7.417 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3F)n2)cc1F ZINC000096935351 562804090 /nfs/dbraw/zinc/80/40/90/562804090.db2.gz TUGDKOZAGJNHHL-UHFFFAOYSA-N 1 0 658.681 6.179 1 0 KKAFRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096937796 562804326 /nfs/dbraw/zinc/80/43/26/562804326.db2.gz AIMOJLNOSGCKIN-DSBYRVASSA-N 1 0 526.565 7.121 1 0 KKAFRO C[NH+]1CCN(c2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000096938512 562804526 /nfs/dbraw/zinc/80/45/26/562804526.db2.gz ILRKPPLCPCPUEM-UHFFFAOYSA-N 1 0 537.718 5.297 1 0 KKAFRO O=C(OCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000096938678 562804548 /nfs/dbraw/zinc/80/45/48/562804548.db2.gz UTKUAUJCYKQTFS-UHFFFAOYSA-N 1 0 548.647 5.340 1 0 KKAFRO CCC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1 ZINC000096941670 562805017 /nfs/dbraw/zinc/80/50/17/562805017.db2.gz GGIFZJMNKKQUBB-DEOSSOPVSA-N 1 0 505.663 5.062 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(O)c(OC)c4)n(Cc4ccc(O)c(OC)c4)c3c2)C1C(=O)OC ZINC000100028533 562806190 /nfs/dbraw/zinc/80/61/90/562806190.db2.gz FZKFZTFLKIJSSR-UFNKWHAYSA-N 1 0 599.640 5.601 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 ZINC000100076281 562806588 /nfs/dbraw/zinc/80/65/88/562806588.db2.gz GRXLRILPVAQNOX-PKQPGRETSA-N 1 0 608.709 6.412 1 0 KKAFRO COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000100751974 562807336 /nfs/dbraw/zinc/80/73/36/562807336.db2.gz WHEQWKJMWXXWPK-XAIKPXTQSA-N 1 0 641.758 5.907 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@H]([NH+]3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC ZINC000101132205 562809405 /nfs/dbraw/zinc/80/94/05/562809405.db2.gz AEJCTJSNUNXYQL-ZRZAMGCNSA-N 1 0 534.694 5.099 1 0 KKAFRO CC(C)N1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367540 562810422 /nfs/dbraw/zinc/81/04/22/562810422.db2.gz PAFOOYBINUNMGT-YHBQERECSA-N 1 0 586.144 6.123 1 0 KKAFRO CN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367559 562810444 /nfs/dbraw/zinc/81/04/44/562810444.db2.gz DLQXAWIVHRHOQT-MEMLXQNLSA-N 1 0 558.090 5.345 1 0 KKAFRO CCc1c(C)[nH]c(CC(C)(C)[C@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)c1C ZINC000101415244 562810622 /nfs/dbraw/zinc/81/06/22/562810622.db2.gz FQANANWHOBZDJS-JKFCTSDTSA-N 1 0 575.757 6.991 1 0 KKAFRO C[C@@H]1C[N@@H+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696370 562811911 /nfs/dbraw/zinc/81/19/11/562811911.db2.gz IBHCGWDHOSZERH-SZPZYZBQSA-N 1 0 570.711 6.153 1 0 KKAFRO CC(C)[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696388 562811916 /nfs/dbraw/zinc/81/19/16/562811916.db2.gz VKROKKNAZJKOSP-UHFFFAOYSA-N 1 0 596.753 5.629 1 0 KKAFRO O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696449 562811924 /nfs/dbraw/zinc/81/19/24/562811924.db2.gz LROPXDYNQWNIPW-UHFFFAOYSA-N 1 0 631.758 5.820 1 0 KKAFRO C[N@@H+]1CCCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696594 562811933 /nfs/dbraw/zinc/81/19/33/562811933.db2.gz HLKINVGFHAEADS-UHFFFAOYSA-N 1 0 569.727 5.681 1 0 KKAFRO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696577 562811957 /nfs/dbraw/zinc/81/19/57/562811957.db2.gz ZCPMKVRLXQKKKO-UHFFFAOYSA-N 1 0 553.684 6.089 1 0 KKAFRO O[C@@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000102207555 562812925 /nfs/dbraw/zinc/81/29/25/562812925.db2.gz FLPJQQDDZSHBDC-MGOZPMTQSA-N 1 0 548.775 6.807 1 0 KKAFRO CCCN1C(=S)N=C(C)C(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000102276424 562813107 /nfs/dbraw/zinc/81/31/07/562813107.db2.gz SOGSHTIKPQOWRS-VWLOTQADSA-N 1 0 531.644 6.240 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3SC=CN3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929152 562813536 /nfs/dbraw/zinc/81/35/36/562813536.db2.gz XRLXAIBHEHFVBX-AUEATDLBSA-N 1 0 505.640 5.325 1 0 KKAFRO CC[NH+](CC)CCN=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000103070368 562814222 /nfs/dbraw/zinc/81/42/22/562814222.db2.gz NOBFIFQEUVJBSH-QNGWXLTQSA-N 1 0 562.523 5.692 1 0 KKAFRO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135109 562814425 /nfs/dbraw/zinc/81/44/25/562814425.db2.gz GWTGUGUODHYXIX-JOCHJYFZSA-N 1 0 531.454 5.434 1 0 KKAFRO CC(C)(C)c1ccc(C[NH+](Cc2ccc(C(C)(C)C)cc2)C[C@@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 ZINC000103173819 562814976 /nfs/dbraw/zinc/81/49/76/562814976.db2.gz PQFOCGTWWBRCCL-SANMLTNESA-N 1 0 563.617 8.666 1 0 KKAFRO NC(=[NH2+])SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176230 562815092 /nfs/dbraw/zinc/81/50/92/562815092.db2.gz KACAUFAZLVCRRH-UHFFFAOYSA-N 1 0 560.729 5.626 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224999 562817655 /nfs/dbraw/zinc/81/76/55/562817655.db2.gz GWHGPTZUEFQPNH-XDZXDJIYSA-N 1 0 521.731 5.030 1 0 KKAFRO NC(=O)[C@]1(c2ccc(Br)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225018 562817689 /nfs/dbraw/zinc/81/76/89/562817689.db2.gz IPZXKSGWFMKWBD-JSCPRHNGSA-N 1 0 545.308 6.290 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225791 562817774 /nfs/dbraw/zinc/81/77/74/562817774.db2.gz IJDZPNGINLWIJW-UUQNIDNHSA-N 1 0 556.776 6.181 1 0 KKAFRO CC(C)(C)C[N@@H+]1CCC[C@@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226397 562817837 /nfs/dbraw/zinc/81/78/37/562817837.db2.gz MKZHQZOOENCXQI-PMERELPUSA-N 1 0 552.641 7.761 1 0 KKAFRO Fc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230127 562818136 /nfs/dbraw/zinc/81/81/36/562818136.db2.gz BRZGSSIWSSYQOZ-PGSXWIQSSA-N 1 0 520.460 7.532 1 0 KKAFRO COc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230143 562818160 /nfs/dbraw/zinc/81/81/60/562818160.db2.gz AVUVBKGKDCOGSY-VYMJWTMMSA-N 1 0 528.077 6.756 1 0 KKAFRO Clc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccccc3)N1[C@H]2c1ccccc1Cl ZINC000103231046 562818236 /nfs/dbraw/zinc/81/82/36/562818236.db2.gz OHPJBWPFNZCIEX-LZNHGYHVSA-N 1 0 502.470 7.392 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233189 562818448 /nfs/dbraw/zinc/81/84/48/562818448.db2.gz WFKINWNQILYNCH-WLNZHLEZSA-N 1 0 542.768 7.262 1 0 KKAFRO CC(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)CC1 ZINC000103233590 562818464 /nfs/dbraw/zinc/81/84/64/562818464.db2.gz QPIGOGMYJFRVEW-UHFFFAOYSA-N 1 0 538.614 7.371 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234257 562818583 /nfs/dbraw/zinc/81/85/83/562818583.db2.gz YRUNMNHKXYFBTO-UHFFFAOYSA-N 1 0 587.592 5.046 1 0 KKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000103239088 562819262 /nfs/dbraw/zinc/81/92/62/562819262.db2.gz FJJYRUPBDUQRHT-UHFFFAOYSA-N 1 0 548.565 7.017 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc3c(c2)NC(=O)C32CC[NH+](C)CC2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243216 562819645 /nfs/dbraw/zinc/81/96/45/562819645.db2.gz PIRWRQQYRXWTII-CQSZACIVSA-N 1 0 515.416 5.832 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc3c(c2)C2(CC[NH+](C)CC2)C(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000103243218 562819655 /nfs/dbraw/zinc/81/96/55/562819655.db2.gz YTLZVJCWUQHCKJ-CQSZACIVSA-N 1 0 515.416 5.832 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254009 562820637 /nfs/dbraw/zinc/82/06/37/562820637.db2.gz UOVSZRTTWLJPHE-KDAVHTTKSA-N 1 0 619.546 5.691 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)c(CC3CCCCC3)c2)cc1CC1CCCCC1 ZINC000103257553 562820946 /nfs/dbraw/zinc/82/09/46/562820946.db2.gz LOJLJBGAZVUYTM-UHFFFAOYSA-N 1 0 535.769 7.482 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(cc[nH+]c3N)c2)c2ccccc2)c1 ZINC000103258255 562821039 /nfs/dbraw/zinc/82/10/39/562821039.db2.gz AANRJYFZAKVMPG-XRKRLSELSA-N 1 0 601.729 5.694 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)c3cccn3n2)cc1 ZINC000103261567 562821449 /nfs/dbraw/zinc/82/14/49/562821449.db2.gz QUOBMNQDWKPDRI-UHFFFAOYSA-N 1 0 586.618 7.195 1 0 KKAFRO Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264949 562822081 /nfs/dbraw/zinc/82/20/81/562822081.db2.gz NTXAORZHWVUPBL-SVBPBHIXSA-N 1 0 601.673 7.887 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268254 562822660 /nfs/dbraw/zinc/82/26/60/562822660.db2.gz ORQLPHMUPMGJPQ-NDKRRWIDSA-N 1 0 632.875 5.246 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4cc(S(=O)(=O)Cc5ccc(Cl)cc5)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269233 562822765 /nfs/dbraw/zinc/82/27/65/562822765.db2.gz CCTXAPXPAYKHKY-UHFFFAOYSA-N 1 0 593.153 5.029 1 0 KKAFRO COc1ccc(C[N@H+](CCc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1O ZINC000103280717 562823526 /nfs/dbraw/zinc/82/35/26/562823526.db2.gz VSUIONUHPCBHSK-UHFFFAOYSA-N 1 0 505.250 6.171 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283345 562823653 /nfs/dbraw/zinc/82/36/53/562823653.db2.gz ZYRYGROQEGIXCQ-QUUPDEESSA-N 1 0 569.931 5.383 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc2ccccc2c1 ZINC000103286212 562823817 /nfs/dbraw/zinc/82/38/17/562823817.db2.gz WQVIAEDJVNDIOB-DIPNUNPCSA-N 1 0 613.802 6.836 1 0 KKAFRO COc1cc(OCCO)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000113332694 562826480 /nfs/dbraw/zinc/82/64/80/562826480.db2.gz AZHAEBMIAGBFPP-CKHSQSCFSA-N 1 0 630.544 5.901 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114034835 562826953 /nfs/dbraw/zinc/82/69/53/562826953.db2.gz BVSKHIIWHAYTKD-LJQANCHMSA-N 1 0 545.043 5.323 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037137 562827175 /nfs/dbraw/zinc/82/71/75/562827175.db2.gz ZJPPYHGKOYJMCX-LJQANCHMSA-N 1 0 530.028 5.538 1 0 KKAFRO [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)C1 ZINC000114037611 562827249 /nfs/dbraw/zinc/82/72/49/562827249.db2.gz RNDRXUOKCDOSTQ-LJQANCHMSA-N 1 0 515.564 5.544 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000114100300 562827709 /nfs/dbraw/zinc/82/77/09/562827709.db2.gz OQQYUUDNHQHZFJ-XMMPIXPASA-N 1 0 524.105 5.890 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000114100111 562827730 /nfs/dbraw/zinc/82/77/30/562827730.db2.gz RVZYMIMTFMNCLX-HSZRJFAPSA-N 1 0 529.077 5.169 1 0 KKAFRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100214 562827740 /nfs/dbraw/zinc/82/77/40/562827740.db2.gz MKFNPMPQCHBNBZ-OAQYLSRUSA-N 1 0 517.066 5.025 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114101034 562827755 /nfs/dbraw/zinc/82/77/55/562827755.db2.gz WSFCSRFSULFQNX-AREMUKBSSA-N 1 0 508.106 6.433 1 0 KKAFRO O=S(=O)(Cc1ccccc1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980883 562828627 /nfs/dbraw/zinc/82/86/27/562828627.db2.gz MNDVVOOCQYLZKF-HHHXNRCGSA-N 1 0 511.087 5.147 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccs1 ZINC000114981506 562828681 /nfs/dbraw/zinc/82/86/81/562828681.db2.gz ZUNOQVCWMWEUEB-XMMPIXPASA-N 1 0 503.089 5.068 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(NCc2ccccc2)nc1 ZINC000114981795 562828686 /nfs/dbraw/zinc/82/86/86/562828686.db2.gz SJJPDTSVGZKRBU-YTTGMZPUSA-N 1 0 603.188 6.013 1 0 KKAFRO Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C[NH3+])nc3Cl)ccc12 ZINC000115466654 562828898 /nfs/dbraw/zinc/82/88/98/562828898.db2.gz PKKLAAQPYSEUAW-QFIPXVFZSA-N 1 0 549.466 5.084 1 0 in-vitro KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@H]3CC[N@H+](C)C3)cn2)c1=O ZINC000116053912 562829148 /nfs/dbraw/zinc/82/91/48/562829148.db2.gz MPJHYCDNGHGKCK-NRFANRHFSA-N 1 0 613.759 5.385 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@H]3CCC[N@@H+]3C)cn2)c1=O ZINC000116053775 562829168 /nfs/dbraw/zinc/82/91/68/562829168.db2.gz PPLDDAVPZCQAOG-MUUNZHRXSA-N 1 0 613.759 5.732 1 0 KKAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[NH+](CC5CCCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000117721979 562829853 /nfs/dbraw/zinc/82/98/53/562829853.db2.gz LHPJSVUGPVLCGE-UHFFFAOYSA-N 1 0 530.721 5.089 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797935 562830671 /nfs/dbraw/zinc/83/06/71/562830671.db2.gz WKPFGADMDMLPOJ-ALRGGUNWSA-N 1 0 604.191 6.866 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795557 562830684 /nfs/dbraw/zinc/83/06/84/562830684.db2.gz NCDHHXTYFKEITD-NBLPZQPVSA-N 1 0 562.154 6.640 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799861 562830734 /nfs/dbraw/zinc/83/07/34/562830734.db2.gz LBHRNHIJVFKNRX-VOSQCMCKSA-N 1 0 533.112 7.361 1 0 KKAFRO C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[NH+](C)C)=CC[C@H]4[C@@H]3CC[C@@H]2[C@H]1OC(C)=O ZINC000118921180 562830942 /nfs/dbraw/zinc/83/09/42/562830942.db2.gz SHJJWNZZBFZGIB-CMXUUHMCSA-N 1 0 542.761 5.050 1 0 KKAFRO CCCC[NH2+]CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118921498 562831008 /nfs/dbraw/zinc/83/10/08/562831008.db2.gz OHAFQGLNKJTTCX-UJBOAYJISA-N 1 0 503.768 6.535 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000138486228 562831940 /nfs/dbraw/zinc/83/19/40/562831940.db2.gz XQNLVDIOICMCNT-UHFFFAOYSA-N 1 0 616.616 5.324 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2csnn2)n1 ZINC000138498507 562831976 /nfs/dbraw/zinc/83/19/76/562831976.db2.gz JEHGXRMCMGGVKK-UHFFFAOYSA-N 1 0 585.612 5.382 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928380 562832235 /nfs/dbraw/zinc/83/22/35/562832235.db2.gz YTHUQGIGAIZNIM-LJAQVGFWSA-N 1 0 519.653 5.078 1 0 KKAFRO CCN1c2ccc(OCCC[N@H+](CCn3ccc4ccoc4c3=O)Cc3ccccc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139568741 562832626 /nfs/dbraw/zinc/83/26/26/562832626.db2.gz PZCYDKAVVVBKMA-UHFFFAOYSA-N 1 0 584.717 5.230 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140447550 562833086 /nfs/dbraw/zinc/83/30/86/562833086.db2.gz BVAFOIYVJDIOLI-LSYYVWMOSA-N 1 0 551.580 5.781 1 0 KKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000140498227 562833100 /nfs/dbraw/zinc/83/31/00/562833100.db2.gz CNCGTAOYBMSNPM-ZCYQVOJMSA-N 1 0 510.723 5.202 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CCCC4)CC3)nc12 ZINC000140593415 562833148 /nfs/dbraw/zinc/83/31/48/562833148.db2.gz QSLHULBCQIRUQA-UHFFFAOYSA-N 1 0 591.642 5.390 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(C)C)nc21 ZINC000140610144 562833244 /nfs/dbraw/zinc/83/32/44/562833244.db2.gz OYIXLQCMMGZJNM-UHFFFAOYSA-N 1 0 595.674 5.809 1 0 KKAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccoc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685625 562833273 /nfs/dbraw/zinc/83/32/73/562833273.db2.gz AHOLDHVYFHBULL-REWPJTCUSA-N 1 0 544.618 5.021 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C5CC5)CC4)cc3Cl)nc1-2 ZINC000141185384 562833579 /nfs/dbraw/zinc/83/35/79/562833579.db2.gz ULBCUHWWKRJYGA-UHFFFAOYSA-N 1 0 568.125 5.705 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccc(OC)cc3)c[nH]2)c1 ZINC000141549004 562833628 /nfs/dbraw/zinc/83/36/28/562833628.db2.gz BZYZTUXUOMHBTB-MHZLTWQESA-N 1 0 517.605 5.896 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1 ZINC000141666556 562833739 /nfs/dbraw/zinc/83/37/39/562833739.db2.gz TUTCLMQSHVOKFK-NDEPHWFRSA-N 1 0 529.616 6.090 1 0 KKAFRO C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000142004418 562833901 /nfs/dbraw/zinc/83/39/01/562833901.db2.gz PIQWOQHEODPFLM-FTJBHMTQSA-N 1 0 561.782 8.868 1 0 KKAFRO Cc1c(C)c2c(c(C)c1CCCCCC[NH3+])CC[C@@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142238385 562834069 /nfs/dbraw/zinc/83/40/69/562834069.db2.gz YBXFBWAHFAGTFE-XLHJEKARSA-N 1 0 536.738 6.502 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142433071 562834178 /nfs/dbraw/zinc/83/41/78/562834178.db2.gz AAXNFMPKDBJFBY-LBNVMWSVSA-N 1 0 577.578 5.163 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555606 562834229 /nfs/dbraw/zinc/83/42/29/562834229.db2.gz CEZKXCISFFAHCY-RBBKRZOGSA-N 1 0 511.496 5.012 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762360 562834296 /nfs/dbraw/zinc/83/42/96/562834296.db2.gz LVONMJJLVXJEPS-RCZVLFRGSA-N 1 0 511.515 5.224 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000143052021 562834521 /nfs/dbraw/zinc/83/45/21/562834521.db2.gz GCWDRCMBCSVOIO-UHFFFAOYSA-N 1 0 530.076 5.109 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)C1CCC1 ZINC000143047457 562834562 /nfs/dbraw/zinc/83/45/62/562834562.db2.gz ADBFPMOOTMNMLW-IGKIAQTJSA-N 1 0 537.553 5.581 1 0 KKAFRO COc1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143106011 562834618 /nfs/dbraw/zinc/83/46/18/562834618.db2.gz KKDSJPYLRKITAS-UHFFFAOYSA-N 1 0 600.167 5.273 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000143251898 562834870 /nfs/dbraw/zinc/83/48/70/562834870.db2.gz ZBSDELZYHVIJTD-LBNVMWSVSA-N 1 0 551.580 5.923 1 0 KKAFRO NS(=O)(=O)c1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6([NH3+])CCC6)cc5)nc4c3c2)cc1 ZINC000143450249 562835040 /nfs/dbraw/zinc/83/50/40/562835040.db2.gz GLOJRHINODDWMU-UHFFFAOYSA-N 1 0 545.668 5.869 1 0 KKAFRO [NH3+][C@H]1CCC[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143622301 562835214 /nfs/dbraw/zinc/83/52/14/562835214.db2.gz WIIUUFVRSJRGSM-WDSKDSINSA-N 1 0 545.899 5.295 1 0 KKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326220 562836130 /nfs/dbraw/zinc/83/61/30/562836130.db2.gz STDFAKVCYZKPQE-BJKOFHAPSA-N 1 0 527.815 8.587 1 0 KKAFRO CCOc1ccccc1-c1cccc(CO[C@@H]2C[NH2+]C[C@H]2CN(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)c1 ZINC000144883784 562836692 /nfs/dbraw/zinc/83/66/92/562836692.db2.gz YHEKFHIAOXVZPM-ZBWWXOROSA-N 1 0 590.761 5.832 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000145932724 562837773 /nfs/dbraw/zinc/83/77/73/562837773.db2.gz GHVVVLWBGOTOBA-UHFFFAOYSA-N 1 0 636.801 5.319 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@@H]3C)n1 ZINC000145958198 562837857 /nfs/dbraw/zinc/83/78/57/562837857.db2.gz HSIRDEQVAUEWFK-HNNXBMFYSA-N 1 0 604.029 6.207 1 0 KKAFRO Cc1ccccc1Cn1c2ccccc2nc1-c1ccc(OC[C@@H](C2CC[NH2+]CC2)n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000146268623 562838403 /nfs/dbraw/zinc/83/84/03/562838403.db2.gz NXAQPEKVXCFKQO-KDXMTYKHSA-N 1 0 617.797 8.696 1 0 KKAFRO Cc1ccccc1Cn1c2ccccc2nc1-c1ccc(OC[C@H](C2CC[NH2+]CC2)n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000146268831 562838404 /nfs/dbraw/zinc/83/84/04/562838404.db2.gz NXAQPEKVXCFKQO-LDLOPFEMSA-N 1 0 617.797 8.696 1 0 KKAFRO O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000146286911 562838446 /nfs/dbraw/zinc/83/84/46/562838446.db2.gz WDALFJYWTFDSRP-QNGWXLTQSA-N 1 0 638.816 7.102 1 0 KKAFRO C[C@@H](N)C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000146785905 562838769 /nfs/dbraw/zinc/83/87/69/562838769.db2.gz NSAFCVYUZIQKHJ-LMIVATOFSA-N 1 0 633.592 5.201 1 0 KKAFRO C[C@H](N)C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000146707074 562838799 /nfs/dbraw/zinc/83/87/99/562838799.db2.gz NSAFCVYUZIQKHJ-WAWILOFOSA-N 1 0 633.592 5.201 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+][C@H](CC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000146893770 562838867 /nfs/dbraw/zinc/83/88/67/562838867.db2.gz ZDYVCXVZHZFCCZ-CTPKDOPXSA-N 1 0 574.524 5.447 1 0 KKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872193 562838888 /nfs/dbraw/zinc/83/88/88/562838888.db2.gz IYBGHBZUXSMOKI-BDLFVCEQSA-N 1 0 506.650 6.115 1 0 KKAFRO C[NH+]1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c(F)c2)CC1 ZINC000147807374 562839676 /nfs/dbraw/zinc/83/96/76/562839676.db2.gz NOUVYWRJTCFRGO-UHFFFAOYSA-N 1 0 515.555 5.000 1 0 KKAFRO OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000148100846 562840233 /nfs/dbraw/zinc/84/02/33/562840233.db2.gz YAEJOANLERDYGA-WZJLIZBTSA-N 1 0 523.673 5.619 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148129643 562840262 /nfs/dbraw/zinc/84/02/62/562840262.db2.gz ARHLJYPIRIESLF-UHFFFAOYSA-N 1 0 613.648 6.346 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148170580 562840410 /nfs/dbraw/zinc/84/04/10/562840410.db2.gz VKPLTNDXXKBIJZ-UHFFFAOYSA-N 1 0 579.631 5.315 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC(F)(F)F)nc21 ZINC000148173099 562840477 /nfs/dbraw/zinc/84/04/77/562840477.db2.gz CDTLNQFUYGCDKN-UHFFFAOYSA-N 1 0 621.590 5.715 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N[C@@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000148255132 562840712 /nfs/dbraw/zinc/84/07/12/562840712.db2.gz KBAGSCMZYWHUIY-JOCHJYFZSA-N 1 0 621.668 5.086 1 0 KKAFRO COc1ncc(-c2ccccc2Oc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)s1 ZINC000148464532 562841442 /nfs/dbraw/zinc/84/14/42/562841442.db2.gz WIEGDGUETMPIOA-UHFFFAOYSA-N 1 0 614.650 5.996 1 0 KKAFRO COc1cc(N2CCC(C[NH+]3CCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148754411 562841760 /nfs/dbraw/zinc/84/17/60/562841760.db2.gz KYODHQKKLBGUED-UHFFFAOYSA-N 1 0 555.063 5.796 1 0 KKAFRO C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1 ZINC000148778969 562841768 /nfs/dbraw/zinc/84/17/68/562841768.db2.gz NNWHHZWGFMXAIM-ZEQRLZLVSA-N 1 0 513.697 8.124 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(C2CC2)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148775213 562841771 /nfs/dbraw/zinc/84/17/71/562841771.db2.gz WGEGYCKWUWQOIP-UHFFFAOYSA-N 1 0 589.725 5.314 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000148835135 562841817 /nfs/dbraw/zinc/84/18/17/562841817.db2.gz ZVFDAHHZJSBMQX-QHCPKHFHSA-N 1 0 510.078 5.879 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148830465 562841851 /nfs/dbraw/zinc/84/18/51/562841851.db2.gz AXULDDIUSDCLAU-VWLOTQADSA-N 1 0 526.121 5.390 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC000148838238 562841926 /nfs/dbraw/zinc/84/19/26/562841926.db2.gz VGWPBULXNAUXJI-QHCPKHFHSA-N 1 0 512.094 5.366 1 0 KKAFRO CC(C)OC(=O)N[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000149185460 562842367 /nfs/dbraw/zinc/84/23/67/562842367.db2.gz UPIKPYVJDQBIIJ-CSMVMILBSA-N 1 0 541.574 5.157 1 0 KKAFRO CC(=O)OC[C@H]1O[C@@H](OCCCOc2cccc(OCc3cc(-c4ccc(Cl)s4)on3)c2NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150340312 562843146 /nfs/dbraw/zinc/84/31/46/562843146.db2.gz GNVQZTIXGHEXLF-NIURAOKHSA-N 1 0 864.367 5.563 1 0 in-vitro KKAFRO [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@H](c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F ZINC000150522773 562843523 /nfs/dbraw/zinc/84/35/23/562843523.db2.gz IFCHILTVHARJQZ-XIFFEERXSA-N 1 0 841.548 8.268 1 0 KKAFRO C[NH+](C)CCC(=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524950 562843731 /nfs/dbraw/zinc/84/37/31/562843731.db2.gz HRGHDEMNCYCUCS-XIFFEERXSA-N 1 0 720.715 5.412 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150536942 562843983 /nfs/dbraw/zinc/84/39/83/562843983.db2.gz ZIMSQZUTUQQLNQ-DYYYKTGISA-N 1 0 653.893 6.478 1 0 KKAFRO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546476 562844449 /nfs/dbraw/zinc/84/44/49/562844449.db2.gz UHVZJGLMCCENGN-UHFFFAOYSA-N 1 0 662.787 6.954 1 0 KKAFRO Cc1c(C(=O)NCCCCC[NH2+]CCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000150570652 562845079 /nfs/dbraw/zinc/84/50/79/562845079.db2.gz LHBMIEHDMBMMTP-UHFFFAOYSA-N 1 0 914.593 12.019 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586034 562845816 /nfs/dbraw/zinc/84/58/16/562845816.db2.gz XUEBXQWSAJBKJO-PZSMLTKBSA-N 1 0 741.878 6.253 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588316 562845970 /nfs/dbraw/zinc/84/59/70/562845970.db2.gz IZLDOWNQXOSBQR-WNOXWKSXSA-N 1 0 820.774 7.015 1 0 KKAFRO CC[NH+](CCCCOc1cc([O-])c2c(c1)occ(-c1ccc(OCCCC[N@@H+](CC)Cc3ccccc3OC)cc1)c2=O)Cc1ccccc1OC ZINC000150599238 562846975 /nfs/dbraw/zinc/84/69/75/562846975.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 1 0 708.896 8.545 1 0 KKAFRO CC[NH+](CCCCOc1cc([O-])c2c(c1)occ(-c1ccc(OCCCC[N@@H+](CC)Cc3ccccc3)cc1)c2=O)Cc1ccccc1 ZINC000150599234 562846988 /nfs/dbraw/zinc/84/69/88/562846988.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 1 0 648.844 8.528 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)c(Cc3ccc(-c4ccccc4)cc3)c2)cc1Cc1ccc(-c2ccccc2)cc1 ZINC000150600835 562847191 /nfs/dbraw/zinc/84/71/91/562847191.db2.gz JZGURYSMRRAHRC-UHFFFAOYSA-N 1 0 675.869 9.752 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)N2CCC[C@@H]2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c(F)cc1F ZINC000150601790 562847273 /nfs/dbraw/zinc/84/72/73/562847273.db2.gz NCGLPEWWAUOCIF-GRKNLSHJSA-N 1 0 681.762 6.371 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604144 562847549 /nfs/dbraw/zinc/84/75/49/562847549.db2.gz SGJYFRAVXMHBRK-PSUXHBTPSA-N 1 0 734.005 6.407 1 0 KKAFRO C[NH+]1CCN(c2cccc(F)c2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606279 562847902 /nfs/dbraw/zinc/84/79/02/562847902.db2.gz HRPFCELYJVARIK-NHZFLZHXSA-N 1 0 664.892 5.428 1 0 KKAFRO CN1CCC([N@H+](C)C[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c2ccccc2)CC1 ZINC000164745513 562849712 /nfs/dbraw/zinc/84/97/12/562849712.db2.gz PWIBKSRNGJCKTO-OAHLLOKOSA-N 1 0 679.093 6.792 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000164777766 562849743 /nfs/dbraw/zinc/84/97/43/562849743.db2.gz PCKWZFJFZKRZJN-SGUUMDGVSA-N 1 0 661.646 5.837 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C[C@@H]3CCCCO3)nc21 ZINC000165274686 562849987 /nfs/dbraw/zinc/84/99/87/562849987.db2.gz RDQZQEGAGKTAEH-SANMLTNESA-N 1 0 651.738 5.746 1 0 KKAFRO COc1c(C[NH2+]C(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCOCC4)nc32)c1 ZINC000166221873 562850409 /nfs/dbraw/zinc/85/04/09/562850409.db2.gz WSKGCWQZEQANLA-UHFFFAOYSA-N 1 0 610.641 5.086 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1nc(Cl)ccc12)N1CC[C@]2(C=Cc3ccccc32)C[C@H]1c1ccccc1 ZINC000167118096 562850657 /nfs/dbraw/zinc/85/06/57/562850657.db2.gz ZLADFTQKDXFOSW-UFOCDCPFSA-N 1 0 510.081 5.857 1 0 KKAFRO Cc1cn2c(n1)nc(-c1ccc(C[NH+]3CC(c4nnc(-c5cccc(C)n5)[nH]4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000167303244 562850711 /nfs/dbraw/zinc/85/07/11/562850711.db2.gz TZOOLGKFXCYWIR-UHFFFAOYSA-N 1 0 569.717 6.280 1 0 KKAFRO Cc1cccc(-c2nnc(C3C[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)[nH]2)n1 ZINC000167567832 562850982 /nfs/dbraw/zinc/85/09/82/562850982.db2.gz OXBHEIYIPWJXDL-UHFFFAOYSA-N 1 0 539.647 5.424 1 0 KKAFRO CC1(C)Cc2cc(/C=C/C(=O)N3CCC([C@H]([NH2+]C4CCC(c5c[nH]c6ccccc65)CC4)C(N)=O)CC3)ccc2O1 ZINC000167773621 562851090 /nfs/dbraw/zinc/85/10/90/562851090.db2.gz GGIPSJODRAGBRA-CSPWWZIXSA-N 1 0 554.735 5.303 1 0 KKAFRO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@@H+]5CCCOCC5)cc4)c3)CC2)cs1 ZINC000168448871 562851392 /nfs/dbraw/zinc/85/13/92/562851392.db2.gz MCAYEGAYJGQRAY-ISILISOKSA-N 1 0 643.785 6.138 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cn6cc(F)ccc6n5)CC4)c3)cc2)C[C@H](C)[NH2+]1 ZINC000168615232 562851484 /nfs/dbraw/zinc/85/14/84/562851484.db2.gz ZGLFHCGMJMJNKY-UFDCYXHMSA-N 1 0 693.799 6.120 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000169297527 562852521 /nfs/dbraw/zinc/85/25/21/562852521.db2.gz RLDHKTIILVTVIL-HYBUGGRVSA-N 1 0 505.610 5.642 1 0 KKAFRO CC(=O)N[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169302343 562853064 /nfs/dbraw/zinc/85/30/64/562853064.db2.gz TWPCLFZLGQXGOJ-IAKKQPNNSA-N 1 0 723.399 7.553 1 0 KKAFRO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](CCCOc2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC000169304814 562853403 /nfs/dbraw/zinc/85/34/03/562853403.db2.gz AFRIOKCMPZHPKV-UHFFFAOYSA-N 1 0 513.628 7.049 3 0 KKAFRO 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 ZINC000169306256 562853516 /nfs/dbraw/zinc/85/35/16/562853516.db2.gz RGXIFMIXXMRVPN-XMLWSKSPSA-N 1 0 683.849 7.126 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000169306241 562853539 /nfs/dbraw/zinc/85/35/39/562853539.db2.gz LKZPTSTVIYXXMC-HMUUHYCCSA-N 1 0 720.708 7.686 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)c(OC)c3)cc2)nn1C ZINC000169308196 562854043 /nfs/dbraw/zinc/85/40/43/562854043.db2.gz GKMSOZOEZOVMAK-UHFFFAOYSA-N 1 0 635.205 8.083 1 0 KKAFRO Cc1nn(-c2ncccc2-c2ncc[nH]2)cc1C[NH+]1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308850 562854189 /nfs/dbraw/zinc/85/41/89/562854189.db2.gz GEUSWMKIWGBJHY-UHFFFAOYSA-N 1 0 517.005 5.294 1 0 KKAFRO CCc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000169311390 562855144 /nfs/dbraw/zinc/85/51/44/562855144.db2.gz HUSRTGBJPIPAKE-UHFFFAOYSA-N 1 0 564.612 5.396 1 0 KKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169312094 562855272 /nfs/dbraw/zinc/85/52/72/562855272.db2.gz AQBIPWHIWZFQLT-FCHUYYIVSA-N 1 0 554.638 6.039 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(Br)cc21 ZINC000169316881 562855831 /nfs/dbraw/zinc/85/58/31/562855831.db2.gz DDYOGQVNAUBZCG-ZDYWKQHXSA-N 1 0 526.371 8.049 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317521 562855981 /nfs/dbraw/zinc/85/59/81/562855981.db2.gz UZVLCYSJIDJZJW-UHSQPCAPSA-N 1 0 509.568 6.741 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317793 562856044 /nfs/dbraw/zinc/85/60/44/562856044.db2.gz YWKQKXOEKQEVAI-RDGATRHJSA-N 1 0 527.505 6.606 1 0 KKAFRO O=c1c(CCCCCC[NH+]2CCN(c3ccccc3)CC2)c([O-])c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319124 562856169 /nfs/dbraw/zinc/85/61/69/562856169.db2.gz QJVMWDGVNXQZNK-SSEXGKCCSA-N 1 0 530.757 5.481 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000169323271 562856982 /nfs/dbraw/zinc/85/69/82/562856982.db2.gz AWJOAMPQOUEKCN-ZBLYBZFDSA-N 1 0 523.628 6.113 1 0 KKAFRO COCC[N@@H+]1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2C)C1 ZINC000169323230 562856995 /nfs/dbraw/zinc/85/69/95/562856995.db2.gz AHVNWELDVAWIPM-HXUWFJFHSA-N 1 0 508.087 6.112 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324419 562857345 /nfs/dbraw/zinc/85/73/45/562857345.db2.gz QTBDNYWBQSZWHV-UHFFFAOYSA-N 1 0 605.827 7.773 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324440 562857352 /nfs/dbraw/zinc/85/73/52/562857352.db2.gz QQVRUADRNZCKIS-UHFFFAOYSA-N 1 0 647.908 8.943 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ncccc5c4)C3)cc2s1)C1CCCC1 ZINC000169327457 562858123 /nfs/dbraw/zinc/85/81/23/562858123.db2.gz ZKLJFVHPYJIZOP-PKTZIBPZSA-N 1 0 527.694 6.260 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(I)cc2)nc2ccc(I)cc21 ZINC000169333366 562859257 /nfs/dbraw/zinc/85/92/57/562859257.db2.gz HXYBTPJSCBOBKY-RUZDIDTESA-N 1 0 628.336 7.047 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333854 562859379 /nfs/dbraw/zinc/85/93/79/562859379.db2.gz PYDDHNOXLVKLPY-NDEPHWFRSA-N 1 0 569.539 9.723 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCN(C)CC1)C(=O)N1CCCC1 ZINC000169333994 562859425 /nfs/dbraw/zinc/85/94/25/562859425.db2.gz CGIRVUMFIQDONS-PXMBAEQJSA-N 1 0 574.920 6.054 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334588 562859512 /nfs/dbraw/zinc/85/95/12/562859512.db2.gz SIAWVBXBHGWYJF-MHECFPHRSA-N 1 0 516.340 8.171 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335747 562859653 /nfs/dbraw/zinc/85/96/53/562859653.db2.gz COHWQDIPDHDDLR-HKBQPEDESA-N 1 0 527.580 9.218 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335701 562859674 /nfs/dbraw/zinc/85/96/74/562859674.db2.gz ONFGPGPSNCMVNE-MHZLTWQESA-N 1 0 549.475 8.133 1 0 KKAFRO CCCC(CCC)[NH2+]C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000169335993 562859781 /nfs/dbraw/zinc/85/97/81/562859781.db2.gz FKZWBPZVYMINDH-TXTNYDIUSA-N 1 0 576.625 9.052 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc21 ZINC000169336154 562859814 /nfs/dbraw/zinc/85/98/14/562859814.db2.gz DZRJDRRFHXNQQA-SANMLTNESA-N 1 0 508.917 8.411 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Oc2ccc(Cl)cc2)c(Br)c2cc(Cl)ccc21 ZINC000169337005 562859926 /nfs/dbraw/zinc/85/99/26/562859926.db2.gz UUZGQYRPXXKITJ-XMMPIXPASA-N 1 0 539.341 8.637 1 0 KKAFRO CCOC(=O)/C=C\C(=O)Nc1cccc(CCC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346325 562861771 /nfs/dbraw/zinc/86/17/71/562861771.db2.gz NJSNAKJFFPLGPW-KOUMAVGWSA-N 1 0 502.655 5.141 1 0 KKAFRO COC(=O)c1ccc(O)c2c1C1(CN2c2ccccc2Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)CC[NH+](CC(C)(C)C)CC1 ZINC000169347489 562861956 /nfs/dbraw/zinc/86/19/56/562861956.db2.gz QJSULCVSZHCBLW-UHFFFAOYSA-N 1 0 639.866 8.270 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3cc(-c4ccccc4)on3)c3c2c(Cl)ccc3O)CC1 ZINC000169347475 562861968 /nfs/dbraw/zinc/86/19/68/562861968.db2.gz YEHUUIJQBIZJTM-UHFFFAOYSA-N 1 0 543.111 7.976 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccccc4Cl)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347492 562861974 /nfs/dbraw/zinc/86/19/74/562861974.db2.gz WWLONCSOMDISFU-UHFFFAOYSA-N 1 0 594.612 8.493 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccc(OC(F)(F)F)cc4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347491 562861976 /nfs/dbraw/zinc/86/19/76/562861976.db2.gz DGBSPRGCPQRSAJ-UHFFFAOYSA-N 1 0 644.163 8.738 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(C(F)(F)F)cc3)c3c2c(Cl)ccc3O)CC1 ZINC000169348367 562862139 /nfs/dbraw/zinc/86/21/39/562862139.db2.gz KGCGMKGXHWLEDH-UHFFFAOYSA-N 1 0 587.086 8.240 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348500 562862291 /nfs/dbraw/zinc/86/22/91/562862291.db2.gz RIDWORDGQHDCCW-UVMMSNCQSA-N 1 0 610.799 5.670 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350401 562862814 /nfs/dbraw/zinc/86/28/14/562862814.db2.gz WMQYCMRSTBMSOT-UHFFFAOYSA-N 1 0 666.754 5.606 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350702 562862913 /nfs/dbraw/zinc/86/29/13/562862913.db2.gz IXQJSKIPBZCEJF-UHFFFAOYSA-N 1 0 653.711 6.155 1 0 KKAFRO O=C(OC[C@@H]([C@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353287 562863443 /nfs/dbraw/zinc/86/34/43/562863443.db2.gz ZDIFOSOAJVECSC-NWWLCHBLSA-N 1 0 624.789 6.712 1 0 KKAFRO C[C@@H](C(=O)Nc1nc([C@H](CC[N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000169355570 562863751 /nfs/dbraw/zinc/86/37/51/562863751.db2.gz JWKLHPJIQARGDH-WXJKGDLSSA-N 1 0 740.814 9.020 1 0 KKAFRO CC(=O)NC1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697642 562866525 /nfs/dbraw/zinc/86/65/25/562866525.db2.gz NNZWQEVDDAQCGE-UHFFFAOYSA-N 1 0 572.717 5.175 1 0 KKAFRO C[C@@H](NC(=O)CC(F)(F)F)c1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698645 562867402 /nfs/dbraw/zinc/86/74/02/562867402.db2.gz CVCGLNQVOVUMKD-HXUWFJFHSA-N 1 0 643.736 5.698 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(F)cc1Cl)CC2 ZINC000169702250 562868245 /nfs/dbraw/zinc/86/82/45/562868245.db2.gz FCDJXUXUILAZOL-UHFFFAOYSA-N 1 0 576.076 5.011 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702392 562868322 /nfs/dbraw/zinc/86/83/22/562868322.db2.gz SKJDTEQRQLIMED-UHFFFAOYSA-N 1 0 635.172 5.838 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702437 562868397 /nfs/dbraw/zinc/86/83/97/562868397.db2.gz KHRZHCQCLPKAFW-UHFFFAOYSA-N 1 0 634.184 6.443 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OCCC[NH+]4CCCC4)cc3Cl)nc1-2 ZINC000169702507 562868418 /nfs/dbraw/zinc/86/84/18/562868418.db2.gz SSWUHFXOXMQKPW-UHFFFAOYSA-N 1 0 529.088 6.213 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000169704523 562869012 /nfs/dbraw/zinc/86/90/12/562869012.db2.gz CRTYOKBEJIDVDM-AREMUKBSSA-N 1 0 571.983 6.237 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1ccccc1 ZINC000169704519 562869023 /nfs/dbraw/zinc/86/90/23/562869023.db2.gz DOLQEXKLZJXWAP-AREMUKBSSA-N 1 0 537.538 5.584 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704548 562869043 /nfs/dbraw/zinc/86/90/43/562869043.db2.gz QCGZUBGFAVDMLF-SANMLTNESA-N 1 0 605.535 6.603 3 0 KKAFRO [NH3+]C1(c2ccc(-n3c(-c4cccc(F)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705894 562869804 /nfs/dbraw/zinc/86/98/04/562869804.db2.gz VQEGLCNRTWJNCF-UHFFFAOYSA-N 1 0 519.624 6.068 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(CCO)c2c1CCCc1cnc(Nc3ccc(N4CCC([NH+](C)C)CC4)cc3OC)nc1-2 ZINC000169710806 562870719 /nfs/dbraw/zinc/87/07/19/562870719.db2.gz GLVROEFEBFBIJL-UHFFFAOYSA-N 1 0 652.844 5.481 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C(C)C)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711617 562871058 /nfs/dbraw/zinc/87/10/58/562871058.db2.gz IXLUJRPQVHRZKJ-UHFFFAOYSA-N 1 0 599.732 6.272 1 0 KKAFRO CC[NH+](CC)[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)cc1 ZINC000199683083 562873021 /nfs/dbraw/zinc/87/30/21/562873021.db2.gz QBDNZKACLDDLNA-VSGBNLITSA-N 1 0 503.152 5.585 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000199680485 562873049 /nfs/dbraw/zinc/87/30/49/562873049.db2.gz BVAFOIYVJDIOLI-LEAFIULHSA-N 1 0 551.580 5.781 1 0 KKAFRO COc1cccc2c1OCC[C@@]21C[NH2+]C[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@H]1CCCC(F)(F)C1 ZINC000200522833 562873365 /nfs/dbraw/zinc/87/33/65/562873365.db2.gz QDJWLSPATDJTJC-ZHOLJCSVSA-N 1 0 524.652 5.535 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N2C[C@@H]([NH+](C)C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200629243 562873390 /nfs/dbraw/zinc/87/33/90/562873390.db2.gz KSIVSAIIPBDCII-LKMBZGFLSA-N 1 0 746.016 6.325 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423910 562874480 /nfs/dbraw/zinc/87/44/80/562874480.db2.gz KIYKQIDKJXPBAJ-QFIPXVFZSA-N 1 0 514.678 5.079 1 0 KKAFRO COc1ccccc1-c1c2nc(Nc3cnc(C4CC[NH+](C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000205070381 562874915 /nfs/dbraw/zinc/87/49/15/562874915.db2.gz ISLMPOLNYSOVQB-UHFFFAOYSA-N 1 0 532.670 5.201 1 0 KKAFRO Cc1ccc(Cl)cc1N1C(=O)c2nn(CCN3CC[NH+](C)CC3)c(C(C)C)c2[C@@H]1c1ccc(Cl)cc1C ZINC000206144909 562876382 /nfs/dbraw/zinc/87/63/82/562876382.db2.gz UNZCOOAPYFTFKR-NDEPHWFRSA-N 1 0 540.539 5.927 1 0 KKAFRO CC[C@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)cc1 ZINC000206426803 562876417 /nfs/dbraw/zinc/87/64/17/562876417.db2.gz FJWKJYYIELZZNE-FQEVSTJZSA-N 1 0 554.622 5.735 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2ccc(CC(=O)OC3CCC3)cc2)c1 ZINC000206446674 562876480 /nfs/dbraw/zinc/87/64/80/562876480.db2.gz JAODGKYXRMAVAA-UHFFFAOYSA-N 1 0 552.606 5.489 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@H]1[C@](C)(O)CCc1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000207361217 562876688 /nfs/dbraw/zinc/87/66/88/562876688.db2.gz WTGSHWLSWVFVAH-YHHXEXKJSA-N 1 0 521.723 5.062 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000209427768 562876873 /nfs/dbraw/zinc/87/68/73/562876873.db2.gz VYCWLZJQGMLJOM-XKKJXBDVSA-N 1 0 566.145 6.738 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/C[NH+](C)C ZINC000214025281 562877254 /nfs/dbraw/zinc/87/72/54/562877254.db2.gz CPKOOPNFOWNEFT-UKWGHVSLSA-N 1 0 514.001 5.568 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\C[NH+](C)C ZINC000214023562 562877280 /nfs/dbraw/zinc/87/72/80/562877280.db2.gz YGVOTPAIXFJINL-LSFURLLWSA-N 1 0 553.997 6.107 1 0 KKAFRO COc1cc(F)ccc1-c1c2cc(C(C)C)cc(NS(C)(=O)=O)c2[nH]c1C[N@H+](C)Cc1ccccc1 ZINC000219221856 562878018 /nfs/dbraw/zinc/87/80/18/562878018.db2.gz MFAGIEMFDDDLMT-UHFFFAOYSA-N 1 0 509.647 6.110 1 0 in-vitro KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221458019 562878974 /nfs/dbraw/zinc/87/89/74/562878974.db2.gz DZVVTCMRQZXZRQ-UHFFFAOYSA-N 1 0 527.669 5.644 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ncc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000221768801 562879244 /nfs/dbraw/zinc/87/92/44/562879244.db2.gz FEMGZWDNXPQWTI-HAHDFKILSA-N 1 0 540.693 5.381 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c1C ZINC000221768960 562879245 /nfs/dbraw/zinc/87/92/45/562879245.db2.gz NNDFLOPRLNRPIC-PGMHBOJBSA-N 1 0 540.693 5.381 1 0 KKAFRO CC[NH+]1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)cc4)s3)nc(C)n2)CC1 ZINC000222005195 562879464 /nfs/dbraw/zinc/87/94/64/562879464.db2.gz GCPZPTPTTRYEEE-UHFFFAOYSA-N 1 0 545.673 5.303 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222191052 562879800 /nfs/dbraw/zinc/87/98/00/562879800.db2.gz UZKBOLDIUXTTCC-UHFFFAOYSA-N 1 0 692.714 7.836 1 0 KKAFRO CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222890753 562879944 /nfs/dbraw/zinc/87/99/44/562879944.db2.gz RMDVUUFETKJUDW-SANMLTNESA-N 1 0 607.681 5.250 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCC[NH+]1CCCCC1 ZINC000224944843 562880705 /nfs/dbraw/zinc/88/07/05/562880705.db2.gz ACZWQXIJGVNQTN-UHFFFAOYSA-N 1 0 511.544 6.075 1 0 KKAFRO C[NH+]1CCC(c2cc3c(nccc3-c3nc(NC[C@@H]4CCN(C(=O)OC(C)(C)C)C4)ccc3Cl)[nH]2)CC1 ZINC000226072963 562880909 /nfs/dbraw/zinc/88/09/09/562880909.db2.gz BTFNSJFKHYPZFL-SFHVURJKSA-N 1 0 525.097 5.756 1 0 KKAFRO COC(=O)Nc1ccc2c(c1)N[C@H](C(F)(F)F)CCCC[C@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1cc-2ccn1 ZINC000230574580 562881146 /nfs/dbraw/zinc/88/11/46/562881146.db2.gz PVBSKBGZCNQQAZ-URXFXBBRSA-N 1 0 554.573 5.599 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@@H](C(=O)N(C)CC[NH+](C)C)C(C)C ZINC000253634273 562882195 /nfs/dbraw/zinc/88/21/95/562882195.db2.gz MANLQMSVKREPRE-OTGSWXHFSA-N 1 0 725.983 5.359 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 ZINC000253655935 562882642 /nfs/dbraw/zinc/88/26/42/562882642.db2.gz MZAFRLYMPQCVGG-WXIAYYLYSA-N 1 0 529.729 5.400 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000253655794 562882648 /nfs/dbraw/zinc/88/26/48/562882648.db2.gz JZQUTVIGHZYROK-IJFLYPFCSA-N 1 0 590.652 7.986 1 0 KKAFRO C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253675725 562882752 /nfs/dbraw/zinc/88/27/52/562882752.db2.gz JZEQFVDLSUHIOP-JLHXZSQLSA-N 1 0 608.667 7.555 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3)ccc2OC)cc1 ZINC000299823613 562882953 /nfs/dbraw/zinc/88/29/53/562882953.db2.gz RRSWBKBTNGRXIY-UHFFFAOYSA-N 1 0 522.645 6.763 1 0 KKAFRO Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299824934 562883434 /nfs/dbraw/zinc/88/34/34/562883434.db2.gz FCGYOUSOTWCHEF-HZCBDIJESA-N 1 0 556.674 7.094 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc([C@H]3CC[C@H](c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](C(C)C)[NH+](C)C)n4)CC3)cc2)c[nH]1)C(C)C ZINC000299826636 562883928 /nfs/dbraw/zinc/88/39/28/562883928.db2.gz MKNCFEZVUQNQCY-ICYFEJBQSA-N 1 0 714.956 6.535 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\C[NH+]1CCCCC1 ZINC000299828140 562884365 /nfs/dbraw/zinc/88/43/65/562884365.db2.gz GYFJBUOSPWKVQK-OPEKNORGSA-N 1 0 591.087 7.199 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1CCCCC1 ZINC000299829323 562884821 /nfs/dbraw/zinc/88/48/21/562884821.db2.gz LQWAPQPWVQTHJK-UHFFFAOYSA-N 1 0 561.554 5.595 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000299830669 562885335 /nfs/dbraw/zinc/88/53/35/562885335.db2.gz OPIDTCHPOQQBHQ-UHFFFAOYSA-N 1 0 610.586 5.236 1 0 KKAFRO CC[NH+](CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299832590 562885863 /nfs/dbraw/zinc/88/58/63/562885863.db2.gz PZDYJTXVCBHXDJ-UHFFFAOYSA-N 1 0 598.387 8.370 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(O)cc1O ZINC000299835209 562886776 /nfs/dbraw/zinc/88/67/76/562886776.db2.gz KXPSBWYDIUVSGL-KDURUIRLSA-N 1 0 503.643 6.370 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c(O)cc1O ZINC000299835214 562886784 /nfs/dbraw/zinc/88/67/84/562886784.db2.gz KXPSBWYDIUVSGL-RTBURBONSA-N 1 0 503.643 6.370 1 0 KKAFRO C[N@@H+]1CCC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836560 562887243 /nfs/dbraw/zinc/88/72/43/562887243.db2.gz NPDBZGWDNRJYIQ-NRFANRHFSA-N 1 0 542.647 6.610 1 0 KKAFRO CCOc1ccc(Cc2nc3cc(C(=O)NCCCCCCCCCC[NH+](C)C)ccc3n2CCC(C)C)cc1 ZINC000299836660 562887295 /nfs/dbraw/zinc/88/72/95/562887295.db2.gz HJRTXLVNPHKZKY-UHFFFAOYSA-N 1 0 548.816 7.484 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4Cl)cc3)ccc2OC)c1 ZINC000299839328 562888185 /nfs/dbraw/zinc/88/81/85/562888185.db2.gz SHNPBHPAFAXJNS-UHFFFAOYSA-N 1 0 557.090 7.417 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cccc(-c4cccc(OC5CC[NH+](C)CC5)c4)c3)ccc2OC)c1 ZINC000299839584 562888268 /nfs/dbraw/zinc/88/82/68/562888268.db2.gz SOWWHPAYEBCMAO-UHFFFAOYSA-N 1 0 522.645 6.763 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)C[NH+](C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCCCO2 ZINC000299839893 562888343 /nfs/dbraw/zinc/88/83/43/562888343.db2.gz ZUVGMAYFYWUJBC-FXZPAHAQSA-N 1 0 716.877 5.372 1 0 KKAFRO COc1cccc(-c2cc(C(=O)NCCc3ccc(OC4CC[NH+](C)CC4)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1 ZINC000299840020 562888406 /nfs/dbraw/zinc/88/84/06/562888406.db2.gz UTARUJBVGDKBQE-UHFFFAOYSA-N 1 0 618.696 7.502 1 0 KKAFRO Cn1cc(OCc2ccccc2)c(=O)cc1C[NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000299840663 562888642 /nfs/dbraw/zinc/88/86/42/562888642.db2.gz YHTJSIOLUBGVFO-UHFFFAOYSA-N 1 0 505.062 5.928 1 0 KKAFRO Cc1c(-c2cc(Nc3ccc(N4CC[NH+](C)CC4)cn3)c(=O)n(C)c2)cccc1N1C(=O)c2ccc(C(C)(C)C)cc2C1=O ZINC000299841009 562888684 /nfs/dbraw/zinc/88/86/84/562888684.db2.gz XIIFRYLCYAYLIG-UHFFFAOYSA-N 1 0 590.728 5.349 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)CC1 ZINC000299841466 562888893 /nfs/dbraw/zinc/88/88/93/562888893.db2.gz ZYKMNIOZEDDDEJ-UHFFFAOYSA-N 1 0 512.391 5.684 1 0 KKAFRO CCOc1ccc(-c2nc(NC(=O)[C@@H]([NH3+])COCc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851619 562890776 /nfs/dbraw/zinc/89/07/76/562890776.db2.gz HHQZBKHGGQWBCV-QHCPKHFHSA-N 1 0 563.676 5.384 1 0 KKAFRO CC(C)NC(=O)[C@H]1CC[C@@H](n2c3cc(C[NH+]4CCC(C(C)(C)O)CC4)ccc3nc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000299853975 562891245 /nfs/dbraw/zinc/89/12/45/562891245.db2.gz SDMTZMWNCMEPHL-JIBACQESSA-N 1 0 627.752 6.546 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCC[NH+]3CCCC3)O5)ccc2OC)c1 ZINC000299855551 562891675 /nfs/dbraw/zinc/89/16/75/562891675.db2.gz BIVOZMPMJWHUTM-LJAQVGFWSA-N 1 0 597.668 5.695 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCC(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1 ZINC000299855651 562891720 /nfs/dbraw/zinc/89/17/20/562891720.db2.gz BDRBUIOJOVVPMF-UHFFFAOYSA-N 1 0 507.678 6.613 1 0 KKAFRO CCCOC(=O)c1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)cc1 ZINC000299856420 562891931 /nfs/dbraw/zinc/89/19/31/562891931.db2.gz BVBCZQBLIUOMLI-UHFFFAOYSA-N 1 0 526.568 5.418 1 0 KKAFRO CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000299856653 562891976 /nfs/dbraw/zinc/89/19/76/562891976.db2.gz DBAWVRYWKTVMEZ-AREMUKBSSA-N 1 0 592.850 6.802 1 0 KKAFRO CC[C@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000299858194 562892411 /nfs/dbraw/zinc/89/24/11/562892411.db2.gz DIAWPSYORZPEDR-SFHVURJKSA-N 1 0 558.585 5.945 1 0 KKAFRO CC[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 ZINC000299859151 562892614 /nfs/dbraw/zinc/89/26/14/562892614.db2.gz HRFPOOBZYGYGFI-MGKDWKJUSA-N 1 0 607.555 7.784 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3cc(-c4ccccc4)ccc32)C1 ZINC000299860738 562893010 /nfs/dbraw/zinc/89/30/10/562893010.db2.gz JSHGWSNSRPTOND-QBACOJCQSA-N 1 0 546.677 7.729 1 0 KKAFRO CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3Cl)nc21 ZINC000299861210 562893221 /nfs/dbraw/zinc/89/32/21/562893221.db2.gz HVBMWPMWGDVORK-UHFFFAOYSA-N 1 0 560.102 5.322 1 0 KKAFRO O=C(CCCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 ZINC000299862854 562893676 /nfs/dbraw/zinc/89/36/76/562893676.db2.gz KDGTZQSMJGIXJK-DHUJRADRSA-N 1 0 594.800 5.238 1 0 KKAFRO Cc1c(C)c(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299864243 562894022 /nfs/dbraw/zinc/89/40/22/562894022.db2.gz QXXGDBDNPIPTRF-UHFFFAOYSA-N 1 0 540.708 5.335 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864120 562894032 /nfs/dbraw/zinc/89/40/32/562894032.db2.gz LZNTUKFMGLSYSB-YCNHBXJWSA-N 1 0 559.710 6.182 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 ZINC000299867296 562894863 /nfs/dbraw/zinc/89/48/63/562894863.db2.gz XVLPHLABYJZKGZ-JPCOABQZSA-N 1 0 563.502 7.386 1 0 KKAFRO [NH3+][C@@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869024 562895249 /nfs/dbraw/zinc/89/52/49/562895249.db2.gz SZSYIYAPDDFJLI-HSZRJFAPSA-N 1 0 520.464 6.273 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299869391 562895300 /nfs/dbraw/zinc/89/53/00/562895300.db2.gz UPRFKYKXCABZPS-HSZRJFAPSA-N 1 0 570.637 5.264 1 0 KKAFRO Clc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(Nc3cccc(OCC[NH+]4CCSCC4)c3)n2)cc1 ZINC000299869903 562895376 /nfs/dbraw/zinc/89/53/76/562895376.db2.gz VQADROVCMZMCOZ-UHFFFAOYSA-N 1 0 537.516 7.289 1 0 KKAFRO COc1cc2oc(-c3ccc(OCC(=O)NCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299870660 562895492 /nfs/dbraw/zinc/89/54/92/562895492.db2.gz WQLUUKSZHSICTA-UHFFFAOYSA-N 1 0 672.178 6.954 1 0 KKAFRO CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OC/C=C/c5ccccc5)[C@]5(CCC[C@@H](C)O5)NC(=[NH+]2)N43)O1 ZINC000377819946 562896113 /nfs/dbraw/zinc/89/61/13/562896113.db2.gz JFNBLCCNKKPPIU-FCEMJFMLSA-N 1 0 519.686 5.182 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCC[NH+]2CCC(O)CC2)COC1=O ZINC000473082883 562896756 /nfs/dbraw/zinc/89/67/56/562896756.db2.gz AHKASPSPLYXDJZ-MTZNQXOKSA-N 1 0 737.843 5.481 1 0 KKAFRO O=c1sc2ccccc2n1CCCCCC[NH+]1CCN(CCCCn2c3ccccc3sc2=O)CC1 ZINC000473083096 562896766 /nfs/dbraw/zinc/89/67/66/562896766.db2.gz MLAORVLYHRLZAJ-UHFFFAOYSA-N 1 0 524.756 5.098 1 0 KKAFRO CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@@H]2c1ccc(N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000473083650 562896833 /nfs/dbraw/zinc/89/68/33/562896833.db2.gz PARRFIAYDACNFT-MUUNZHRXSA-N 1 0 572.065 5.803 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3Cl)c(=O)n2C)cc1F ZINC000473086645 562897083 /nfs/dbraw/zinc/89/70/83/562897083.db2.gz BXZSAZNDOSKUNB-UHFFFAOYSA-N 1 0 688.200 7.379 1 0 KKAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCC[NH+]2CCCCC2)COC1=O ZINC000473086862 562897116 /nfs/dbraw/zinc/89/71/16/562897116.db2.gz IIAJLWAQUZNFNS-NPQFCROMSA-N 1 0 735.871 6.900 1 0 KKAFRO Cc1c(CNC(=O)c2ccc(C(F)(F)F)cc2)c2[n+](c(C)c1CNC(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000473089147 562897368 /nfs/dbraw/zinc/89/73/68/562897368.db2.gz KMXQJYYHGDEJPN-UHFFFAOYSA-O 1 0 550.523 5.435 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC(=O)O5)[C@@H]1CCC2=O ZINC000473096898 562897914 /nfs/dbraw/zinc/89/79/14/562897914.db2.gz BFPMMSZDPZJVLH-IFEIANSXSA-N 1 0 593.730 8.082 1 0 KKAFRO C[C@@H]1Cc2ccccc2C2(CC[NH+](CC[C@@H](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 ZINC000473104240 562898138 /nfs/dbraw/zinc/89/81/38/562898138.db2.gz OVVRQDCJYWDMFV-LYZGTLIUSA-N 1 0 572.618 6.726 1 0 KKAFRO O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 ZINC000473104884 562898152 /nfs/dbraw/zinc/89/81/52/562898152.db2.gz PEAXKZJSQUEGLG-MHZLTWQESA-N 1 0 574.590 6.043 1 0 KKAFRO CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(CC[N@H+](CCOCc1ccccc1)CCn1cnc2c1nc[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C ZINC000473108259 562898397 /nfs/dbraw/zinc/89/83/97/562898397.db2.gz LPBFLWOAHCAXLA-BCRBLDSWSA-N 1 0 799.910 5.549 1 0 KKAFRO Oc1ccc(C[C@H]2C[NH+]=C3C=C4N(CCc5ccccc5)[C@@H](Cc5ccc(O)cc5)CN4[C@@H](Cc4ccccc4)CN32)cc1 ZINC000473110414 562898526 /nfs/dbraw/zinc/89/85/26/562898526.db2.gz VWPLYVKTPGRSOH-AFEGWXKPSA-N 1 0 584.764 5.661 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 ZINC000473113551 562898808 /nfs/dbraw/zinc/89/88/08/562898808.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 1 0 519.594 5.482 1 0 KKAFRO CC[N@H+](CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473114004 562898864 /nfs/dbraw/zinc/89/88/64/562898864.db2.gz LBEVTNNIHCJLJV-UHFFFAOYSA-N 1 0 517.622 6.167 1 0 KKAFRO Cc1ccc(Cn2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473134868 562900589 /nfs/dbraw/zinc/90/05/89/562900589.db2.gz DCFVTADSSVUZAM-UHFFFAOYSA-N 1 0 504.505 7.449 1 0 KKAFRO C[NH2+]CCCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000473136116 562900953 /nfs/dbraw/zinc/90/09/53/562900953.db2.gz XPFCKKIXKGCBKW-UHFFFAOYSA-N 1 0 612.126 6.792 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136167 562900962 /nfs/dbraw/zinc/90/09/62/562900962.db2.gz NMZKUZFCZYLPLW-OIZKAKEOSA-N 1 0 571.146 7.433 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473149913 562901551 /nfs/dbraw/zinc/90/15/51/562901551.db2.gz KSTZJULPHDWERN-GDLZYMKVSA-N 1 0 508.062 5.132 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2cccc(OC)c2)C(C)C)C(C)C)ccc1OC ZINC000473152345 562901779 /nfs/dbraw/zinc/90/17/79/562901779.db2.gz SZADCVJGVIXXRO-QBCKSJLUSA-N 1 0 586.814 5.033 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473152447 562901833 /nfs/dbraw/zinc/90/18/33/562901833.db2.gz UGEBTJZBDCKUJD-JGCGQSQUSA-N 1 0 550.143 6.302 1 0 KKAFRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc4[nH]ccc4c3)ccc2OC(F)(F)F)c1 ZINC000473152660 562901848 /nfs/dbraw/zinc/90/18/48/562901848.db2.gz UXBZXPZHLCWZSV-UHFFFAOYSA-N 1 0 584.595 6.885 1 0 KKAFRO CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000473165343 562902963 /nfs/dbraw/zinc/90/29/63/562902963.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 1 0 528.480 5.576 1 0 KKAFRO CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473179708 562903447 /nfs/dbraw/zinc/90/34/47/562903447.db2.gz BZACNLCOLFMVGZ-XGAFWQRZSA-N 1 0 512.481 6.605 1 0 KKAFRO O=C([O-])CC[N@@H+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236495 562904688 /nfs/dbraw/zinc/90/46/88/562904688.db2.gz LVQQAMOPIWIZSC-WCSHMYRTSA-N 1 0 532.773 6.292 1 0 KKAFRO O=C([O-])C[N@@H+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236398 562904696 /nfs/dbraw/zinc/90/46/96/562904696.db2.gz COWMKSSPBCWJGG-JBFJIUAJSA-N 1 0 518.746 6.045 1 0 KKAFRO CCN(c1cc(-c2cccnc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244612 562904892 /nfs/dbraw/zinc/90/48/92/562904892.db2.gz OXPZCLUKHFMKQN-DIVCQZSQSA-N 1 0 515.702 5.404 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4cccc(Br)c4)[nH]3)ccc21 ZINC000474609735 562905676 /nfs/dbraw/zinc/90/56/76/562905676.db2.gz UCUICAJZDAGNQZ-MHZLTWQESA-N 1 0 521.434 6.156 1 0 KKAFRO Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(F)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474610012 562905799 /nfs/dbraw/zinc/90/57/99/562905799.db2.gz ZCHJSOMCLMTGJP-UHFFFAOYSA-N 1 0 565.755 5.528 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccc5c4)ccc32)c1C ZINC000653667549 562906016 /nfs/dbraw/zinc/90/60/16/562906016.db2.gz GVMLWNCIHWMTSA-UQQQWYQISA-N 1 0 507.638 5.411 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4nccc5ccccc54)ccc32)c1C ZINC000653667571 562906028 /nfs/dbraw/zinc/90/60/28/562906028.db2.gz RRDCKPSTYXWGKD-BWAHOGKJSA-N 1 0 507.638 5.411 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCC[NH+](C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676834 562906265 /nfs/dbraw/zinc/90/62/65/562906265.db2.gz QOOULEPHTXXQFJ-UHFFFAOYSA-N 1 0 547.055 5.694 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 ZINC000653686455 562906485 /nfs/dbraw/zinc/90/64/85/562906485.db2.gz MADDXIDRBJNRSI-UHFFFAOYSA-N 1 0 540.664 5.739 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(Br)ccc2CC[C@@H]1C[NH+](C)C ZINC000653694234 562906945 /nfs/dbraw/zinc/90/69/45/562906945.db2.gz UIHSCFSMMAXZDY-BOGJOCPPSA-N 1 0 610.390 6.912 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2cc(Br)ccc2CC[C@@H]1C[NH+](C)C ZINC000653699631 562907266 /nfs/dbraw/zinc/90/72/66/562907266.db2.gz UIHSCFSMMAXZDY-JPDBUEETSA-N 1 0 610.390 6.912 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000653708641 562907940 /nfs/dbraw/zinc/90/79/40/562907940.db2.gz BJPTWWXRRXRJMX-UHFFFAOYSA-N 1 0 561.086 5.304 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653711428 562908151 /nfs/dbraw/zinc/90/81/51/562908151.db2.gz LHBMZWQZYRLNGG-SSEXGKCCSA-N 1 0 625.645 6.155 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CC[NH+](C)C)c1ccccc1 ZINC000653712806 562908198 /nfs/dbraw/zinc/90/81/98/562908198.db2.gz QXQOBCBJOCQFRK-YTTGMZPUSA-N 1 0 507.634 5.772 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000653714240 562908414 /nfs/dbraw/zinc/90/84/14/562908414.db2.gz FSIFTUHBPHJAAD-BHVANESWSA-N 1 0 557.694 6.925 1 0 KKAFRO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653718329 562908620 /nfs/dbraw/zinc/90/86/20/562908620.db2.gz ATPOKRXNKXSTJP-UHFFFAOYSA-N 1 0 633.756 7.558 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@@H](NC(=O)C[NH+](C)C)C2(C)C ZINC000653728698 562909302 /nfs/dbraw/zinc/90/93/02/562909302.db2.gz PAPRNXKXHZHNHV-AREMUKBSSA-N 1 0 615.200 5.078 1 0 KKAFRO CCOC(=O)c1c(C)n(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCCC[NH+]3CCCCC3)cc21 ZINC000653730572 562909449 /nfs/dbraw/zinc/90/94/49/562909449.db2.gz UJFFXTVISBGNRS-UHFFFAOYSA-N 1 0 502.577 6.448 1 0 KKAFRO Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC[NH+](C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747928 562910487 /nfs/dbraw/zinc/91/04/87/562910487.db2.gz CQBVNWCZOHAILE-SFHVURJKSA-N 1 0 510.671 5.665 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c1C ZINC000653748719 562910542 /nfs/dbraw/zinc/91/05/42/562910542.db2.gz MQZZGBPRQUXLBF-UQQQWYQISA-N 1 0 553.732 6.295 1 0 KKAFRO Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752933 562910754 /nfs/dbraw/zinc/91/07/54/562910754.db2.gz NIFFCPBINGKORT-UHFFFAOYSA-N 1 0 543.667 7.064 1 0 KKAFRO CC[NH2+]Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653754901 562910865 /nfs/dbraw/zinc/91/08/65/562910865.db2.gz JNFBWHSFRTTWQW-UHFFFAOYSA-N 1 0 517.629 6.578 1 0 KKAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(-c3ccc(-c4ccccc4)cc3)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000653759932 562911198 /nfs/dbraw/zinc/91/11/98/562911198.db2.gz BJINZCTTXCLMHK-UHFFFAOYSA-N 1 0 663.782 6.743 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(C)[C@@H]13)cn2Cc1ccc(Br)cc1 ZINC000653785884 562912356 /nfs/dbraw/zinc/91/23/56/562912356.db2.gz HKSOILGKUCEHJH-XZWHSSHBSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccccc1Br ZINC000653785886 562912369 /nfs/dbraw/zinc/91/23/69/562912369.db2.gz HQTRXMBWSZFJAY-IHLOFXLRSA-N 1 0 544.517 5.323 1 0 KKAFRO Cc1n(Cc2ccc(Br)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795064 562912976 /nfs/dbraw/zinc/91/29/76/562912976.db2.gz DJUWYWUCVVBMFP-GPOMZPHUSA-N 1 0 606.588 6.585 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795170 562913000 /nfs/dbraw/zinc/91/30/00/562913000.db2.gz USDIWJGYLJYDDN-OIDHKYIRSA-N 1 0 606.588 6.585 1 0 KKAFRO Cc1n(Cc2ccc(Br)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795068 562913008 /nfs/dbraw/zinc/91/30/08/562913008.db2.gz DJUWYWUCVVBMFP-PXLJZGITSA-N 1 0 606.588 6.585 1 0 KKAFRO CCCNC(=O)C1CCN(C(=O)c2cc3sc(C[NH2+][C@@H](C)c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811119 562913845 /nfs/dbraw/zinc/91/38/45/562913845.db2.gz PCOSJRCZXRNURC-QHCPKHFHSA-N 1 0 572.775 5.989 1 0 KKAFRO C[C@H](Oc1nc(N)nc2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834950 562914643 /nfs/dbraw/zinc/91/46/43/562914643.db2.gz FXFMWFKZLCRGPK-ZDUSSCGKSA-N 1 0 501.393 5.586 1 0 KKAFRO C[NH+](C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2F)ccn1 ZINC000653841658 562914875 /nfs/dbraw/zinc/91/48/75/562914875.db2.gz PFFCEPXKLZVGIU-UHFFFAOYSA-N 1 0 529.498 5.496 1 0 KKAFRO CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[NH+]4CCCC4)cc3)c3ccccc3c2=O)cc1 ZINC000653842120 562914883 /nfs/dbraw/zinc/91/48/83/562914883.db2.gz LFKVKYPBCPAZQV-UHFFFAOYSA-N 1 0 510.682 6.154 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCC[NH+]3CCOCC3)c2)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653842159 562914954 /nfs/dbraw/zinc/91/49/54/562914954.db2.gz XNSIGSSBLGAWFV-UHFFFAOYSA-N 1 0 620.007 6.310 1 0 KKAFRO CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ncccc2C[NH3+])CC1 ZINC000653843536 562915043 /nfs/dbraw/zinc/91/50/43/562915043.db2.gz WUOMPFJUKOHHLL-NSJVFKKDSA-N 1 0 693.689 6.265 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000653845381 562915129 /nfs/dbraw/zinc/91/51/29/562915129.db2.gz IGAPVWITXJPENZ-DIPNUNPCSA-N 1 0 610.798 6.852 1 0 KKAFRO C[NH+](C)CCCN1c2ccccc2CCc2ccc(CCCOCCCOc3cccc4ccccc43)cc21 ZINC000653848654 562915342 /nfs/dbraw/zinc/91/53/42/562915342.db2.gz BZCAXLYMOUOVJD-UHFFFAOYSA-N 1 0 522.733 7.447 1 0 KKAFRO C[NH+](C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc43)cc21 ZINC000653849321 562915390 /nfs/dbraw/zinc/91/53/90/562915390.db2.gz YBFFFKPJIATEJA-UHFFFAOYSA-N 1 0 536.760 7.237 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(Cl)cccc3Cl)nn2)cc1F ZINC000653882377 562916870 /nfs/dbraw/zinc/91/68/70/562916870.db2.gz PIKTXUKOJOZVDW-UHFFFAOYSA-N 1 0 665.553 7.569 1 0 KKAFRO CCC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000653884629 562916894 /nfs/dbraw/zinc/91/68/94/562916894.db2.gz JTRYMXBQTYBRPF-IOWSJCHKSA-N 1 0 535.688 5.627 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2N(C)CC3 ZINC000085530748 565135918 /nfs/dbraw/zinc/13/59/18/565135918.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 1 0 608.735 6.968 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532371 565137647 /nfs/dbraw/zinc/13/76/47/565137647.db2.gz UNWFSCUILZCDPR-KYGBQBJKSA-N 1 0 641.893 8.219 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532284 565137655 /nfs/dbraw/zinc/13/76/55/565137655.db2.gz HFYYFDBNGXXDCA-STTPWCIYSA-N 1 0 685.946 7.776 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@H]4CCCC[C@H]4CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532543 565137900 /nfs/dbraw/zinc/13/79/00/565137900.db2.gz ZPKZWDYQAOAAHO-BPYDGMDCSA-N 1 0 617.871 7.931 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@@H](C2)[N@H+](C)CC3)OCO4 ZINC000085541026 565139218 /nfs/dbraw/zinc/13/92/18/565139218.db2.gz OSOKLEWJPLGVBW-MUUNZHRXSA-N 1 0 648.712 7.258 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@@H](c2cccc(CO)c2)C2CCCCC2)cc1O ZINC000085568410 565143645 /nfs/dbraw/zinc/14/36/45/565143645.db2.gz MVVLRNXFWUYRPH-AIMZYSQMSA-N 1 0 693.837 7.565 1 0 biogenic,in-vitro KKAFRO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098949 565172103 /nfs/dbraw/zinc/17/21/03/565172103.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 1 0 684.786 6.163 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000095919494 565190491 /nfs/dbraw/zinc/19/04/91/565190491.db2.gz VTLSDWRFYLEEDA-FYGBBITLSA-N 1 0 669.947 8.803 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c2c1CCCO2)CC(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@@H]1CCCCc1cccc(O)c1 ZINC000103531506 565194278 /nfs/dbraw/zinc/19/42/78/565194278.db2.gz NINSYCPBCZRPOW-NWWLCHBLSA-N 1 0 605.735 6.434 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@@H]1C[C@@H]1C=Cc2c(O)cccc2CC1 ZINC000150348581 565201944 /nfs/dbraw/zinc/20/19/44/565201944.db2.gz HETIRJNLPMLOGL-OMWWZILFSA-N 1 0 657.811 7.683 1 0 biogenic,in-vitro KKAFRO COc1c(O)c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000150350023 565202467 /nfs/dbraw/zinc/20/24/67/565202467.db2.gz GIGBMEBZNQMAJU-UHFFFAOYSA-N 1 0 692.833 6.448 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823336 581100722 /nfs/dbraw/zinc/10/07/22/581100722.db2.gz SUUZABOKTWBKLI-ZPVMCPIXSA-N 1 0 542.651 6.236 1 0 KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)C(=O)O/C4=C\[C@H](CCO)Cc3ccccc3)[C@@H]21 ZINC000085571339 291919579 /nfs/dbraw/zinc/91/95/79/291919579.db2.gz YLIXOQZKEAVNOV-JXMUSFLESA-N 1 0 697.872 8.188 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@H]2CC=CC(=C4)[C@@H]12 ZINC000085531951 291920501 /nfs/dbraw/zinc/92/05/01/291920501.db2.gz MRKWCDRRCBOQKS-XYAMPRCZSA-N 1 0 577.765 7.386 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O ZINC000085571510 291919583 /nfs/dbraw/zinc/91/95/83/291919583.db2.gz QLGPUQIBNUGTLT-IMQKRKOLSA-N 1 0 541.688 6.340 1 0 biogenic,in-vitro KKAFRO CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596865 291932007 /nfs/dbraw/zinc/93/20/07/291932007.db2.gz BNPBTWNMQVGQJK-IHTKTJBKSA-N 1 0 519.723 5.953 1 0 biogenic,in-vitro KKAFRO CC[C@H](C)C[C@H]1[C@]23C=CCC[C@]2(C(C(=O)CC[C@]24C=CC=C[C@H]2CCC4)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572881 291946340 /nfs/dbraw/zinc/94/63/40/291946340.db2.gz NUHJZCWFEOPLJV-HQBWRBEMSA-N 1 0 583.769 7.352 1 0 biogenic,in-vitro KKAFRO C[NH2+]CCNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592849 291951859 /nfs/dbraw/zinc/95/18/59/291951859.db2.gz DQZVRWODCUKHSE-VBQBOPNHSA-N 1 0 714.856 5.261 1 0 biogenic,in-vitro KKAFRO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH2+]CC2 ZINC000085666521 291978606 /nfs/dbraw/zinc/97/86/06/291978606.db2.gz MQXGGMRXWGLPJV-AREMUKBSSA-N 1 0 578.665 6.333 1 0 biogenic,in-vitro KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+](CC)CC)cc1)c1ccccc1 ZINC000001533056 561676654 /nfs/dbraw/zinc/67/66/54/561676654.db2.gz JBYWTQVZDGPHNS-DQSJHHFOSA-N 1 0 525.474 7.381 1 0 KKAFRO COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001543203 561677172 /nfs/dbraw/zinc/67/71/72/561677172.db2.gz RTJYNDZSOVYLSA-LJAQVGFWSA-N 1 0 516.663 6.575 1 0 KKAFRO C[C@H](Nc1nccc(-c2nnc(C3CC[NH2+]CC3)cc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000001548325 561677396 /nfs/dbraw/zinc/67/73/96/561677396.db2.gz YJKZVXGCVXLOOQ-SFHVURJKSA-N 1 0 504.560 6.260 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc5nc(C)ccc5c4)n2C)CC3)no1 ZINC000001552773 561677502 /nfs/dbraw/zinc/67/75/02/561677502.db2.gz WJWXIOHJLIZWJX-UHFFFAOYSA-N 1 0 524.694 5.885 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1 ZINC000002006378 561680391 /nfs/dbraw/zinc/68/03/91/561680391.db2.gz CUYDHVPGXKUUEZ-UHFFFAOYSA-N 1 0 511.453 6.372 1 0 KKAFRO CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(CCC[NH+](CCCC)CCCC)cc1 ZINC000003816429 561683008 /nfs/dbraw/zinc/68/30/08/561683008.db2.gz ZCENNVQCOZQSGH-UHFFFAOYSA-N 1 0 533.753 8.406 1 0 investigational KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cc4ccccn43)cc2)cc1OC ZINC000003922444 561685883 /nfs/dbraw/zinc/68/58/83/561685883.db2.gz LFTRZGGKYPBWRF-UHFFFAOYSA-N 1 0 550.721 5.856 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000003922448 561685940 /nfs/dbraw/zinc/68/59/40/561685940.db2.gz YQKXFLGSXCVXCX-UHFFFAOYSA-N 1 0 551.705 6.350 1 0 KKAFRO O=c1cc(NCCC[NH2+][C@@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925580 561686519 /nfs/dbraw/zinc/68/65/19/561686519.db2.gz YXYUCGITAGFKSB-QGZVFWFLSA-N 1 0 506.242 5.002 1 0 KKAFRO C[NH+](C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932384 561687742 /nfs/dbraw/zinc/68/77/42/561687742.db2.gz RKCYJNRDUDBTDT-QFIPXVFZSA-N 1 0 527.509 5.386 1 0 KKAFRO O=C(C1=C(c2ccc(CCCOc3cc(F)ccc3Br)cc2)CC[NH2+]C1)N(Cc1ccccc1Cl)C1CC1 ZINC000003933563 561688068 /nfs/dbraw/zinc/68/80/68/561688068.db2.gz GNQKDXQPKKYVIX-UHFFFAOYSA-N 1 0 597.956 7.191 1 0 in-vitro KKAFRO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1CNc1cc(=O)c2ccccc2[nH]1 ZINC000003948649 561690135 /nfs/dbraw/zinc/69/01/35/561690135.db2.gz AVRYAKFFWIGWDD-QRWLVFNGSA-N 1 0 549.307 5.822 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000003965949 561691537 /nfs/dbraw/zinc/69/15/37/561691537.db2.gz JEEOUWBWJFSMIP-IOWSJCHKSA-N 1 0 581.704 5.036 1 0 in-vitro KKAFRO CC(C)Oc1cc(OCCc2ccc(C(N)=[NH2+])cc2)cc(OCc2ccccc2CCc2ccc(O)cc2)c1 ZINC000003973195 561691774 /nfs/dbraw/zinc/69/17/74/561691774.db2.gz FMIQMDFYQNEHTJ-UHFFFAOYSA-N 1 0 524.661 6.449 1 0 KKAFRO CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987507 561693069 /nfs/dbraw/zinc/69/30/69/561693069.db2.gz IZGCSYKADOJJHC-JHOUSYSJSA-N 1 0 653.767 6.418 1 0 KKAFRO CC(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)c2)c1 ZINC000006003578 561701091 /nfs/dbraw/zinc/70/10/91/561701091.db2.gz XLRLVJUNMKMWDN-UHFFFAOYSA-O 1 0 588.731 5.507 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(C)(C)C ZINC000006001956 561700711 /nfs/dbraw/zinc/70/07/11/561700711.db2.gz LHEGLWYTLDRTJX-RKNDVXSYSA-N 1 0 615.767 7.008 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001942 561700721 /nfs/dbraw/zinc/70/07/21/561700721.db2.gz UOUVUOCDDCWLPU-GJBCSVNNSA-N 1 0 573.686 5.982 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000006182984 561702703 /nfs/dbraw/zinc/70/27/03/561702703.db2.gz BDRYZFQEQMEVEZ-IGYGKHONSA-N 1 0 531.741 5.932 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCC4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000006717641 561703093 /nfs/dbraw/zinc/70/30/93/561703093.db2.gz HHBVHKORFWGJEX-XIFFEERXSA-N 1 0 629.911 7.289 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000008585217 561705811 /nfs/dbraw/zinc/70/58/11/561705811.db2.gz ZFVHPLAFXZCAIY-ANUHUJQCSA-N 1 0 575.752 8.829 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008860372 561708670 /nfs/dbraw/zinc/70/86/70/561708670.db2.gz VDLPWXZTFMEIKB-QJOHXIFOSA-N 1 0 643.749 9.848 3 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])C[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 ZINC000010339558 561709332 /nfs/dbraw/zinc/70/93/32/561709332.db2.gz PZHFCAIXAVDQAK-STQWGSIPSA-N 1 0 560.714 5.421 1 0 in-vitro KKAFRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000013437310 561712099 /nfs/dbraw/zinc/71/20/99/561712099.db2.gz WUKHFHAHDAHXMD-UHFFFAOYSA-N 1 0 515.281 6.195 1 0 KKAFRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000013437305 561712124 /nfs/dbraw/zinc/71/21/24/561712124.db2.gz PPOUETANRCKMLN-UHFFFAOYSA-N 1 0 515.281 6.195 1 0 KKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5cc(F)ccc54)CC3)CC2)cc1 ZINC000013440415 561712451 /nfs/dbraw/zinc/71/24/51/561712451.db2.gz ONXJKVBTVFWQPP-UHFFFAOYSA-N 1 0 504.715 7.039 1 0 KKAFRO COc1cccc(Cl)c1C(=O)N1CCC([NH+]2CCC(Cc3ccc(SC(C)C)cc3)CC2)CC1 ZINC000013440403 561712495 /nfs/dbraw/zinc/71/24/95/561712495.db2.gz QGOZRQDNJCJRIX-UHFFFAOYSA-N 1 0 501.136 6.408 1 0 KKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(F)cc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448530 561713336 /nfs/dbraw/zinc/71/33/36/561713336.db2.gz OANMKJFCXAFBPM-UHFFFAOYSA-N 1 0 503.593 5.269 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCC(c2ccccc2)c2ccccc2)C1 ZINC000013450326 561713351 /nfs/dbraw/zinc/71/33/51/561713351.db2.gz WSPFWOXBLPRUED-RNAHPLFWSA-N 1 0 517.646 5.081 1 0 KKAFRO COC(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475839 561714696 /nfs/dbraw/zinc/71/46/96/561714696.db2.gz HVDRJOSWHPOEEN-UHFFFAOYSA-N 1 0 517.601 5.914 1 0 KKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479580 561714987 /nfs/dbraw/zinc/71/49/87/561714987.db2.gz XEQPCWADPBBPBI-MLKSZZLFSA-N 1 0 516.698 5.984 1 0 KKAFRO O=C(NCCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O ZINC000013534351 561717782 /nfs/dbraw/zinc/71/77/82/561717782.db2.gz HTQLYZCPYPEYGO-UHFFFAOYSA-N 1 0 522.476 5.927 1 0 KKAFRO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013534619 561717903 /nfs/dbraw/zinc/71/79/03/561717903.db2.gz CWPYEAPHWBNCJQ-ZEQRLZLVSA-N 1 0 518.529 5.820 1 0 KKAFRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Oc2ccccc2)cc1 ZINC000013534853 561717920 /nfs/dbraw/zinc/71/79/20/561717920.db2.gz YKWRHYNVKICDLL-GDLZYMKVSA-N 1 0 515.654 5.195 1 0 KKAFRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(C[NH3+])nc2ccccc2c1-c1ccccc1 ZINC000013559603 561719585 /nfs/dbraw/zinc/71/95/85/561719585.db2.gz BQDJZPXUORQZMS-UHFFFAOYSA-N 1 0 517.473 6.670 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646537 561722578 /nfs/dbraw/zinc/72/25/78/561722578.db2.gz KPIQURKZNMPNNM-UHFFFAOYSA-N 1 0 501.027 5.801 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(Cl)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646517 561722585 /nfs/dbraw/zinc/72/25/85/561722585.db2.gz DGAMIPORAILRPW-UHFFFAOYSA-N 1 0 517.482 6.316 1 0 KKAFRO CCN(CC)c1ccc(N2CC[NH+](C[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651317 561723146 /nfs/dbraw/zinc/72/31/46/561723146.db2.gz XFUNZJAYNITYED-HKBQPEDESA-N 1 0 523.766 5.311 1 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661217 561723484 /nfs/dbraw/zinc/72/34/84/561723484.db2.gz PPVOUBBMDYNPMN-FQEVSTJZSA-N 1 0 511.615 5.152 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000013661190 561723488 /nfs/dbraw/zinc/72/34/88/561723488.db2.gz PODNXBRQMKYVOI-ZJSXRUAMSA-N 1 0 535.681 6.526 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013661010 561723536 /nfs/dbraw/zinc/72/35/36/561723536.db2.gz RQBJCZXEOIGFBL-QFIPXVFZSA-N 1 0 513.590 5.824 3 0 KKAFRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC000013671981 561723792 /nfs/dbraw/zinc/72/37/92/561723792.db2.gz WTECJAHWHNJGGJ-LJQANCHMSA-N 1 0 502.537 5.356 1 0 KKAFRO Cc1cc(N2CCC([NH+]3CCCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671967 561723809 /nfs/dbraw/zinc/72/38/09/561723809.db2.gz ROIFDGZSVAMLHB-UHFFFAOYSA-N 1 0 528.575 5.524 1 0 KKAFRO O=C(/C=C/c1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675657 561724057 /nfs/dbraw/zinc/72/40/57/561724057.db2.gz GFHYZPMZHCOIER-DTQAZKPQSA-N 1 0 501.074 7.050 1 0 KKAFRO COc1ccc(C(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccc(OC)c3ccccc32)c2ccccc12 ZINC000013734004 561725390 /nfs/dbraw/zinc/72/53/90/561725390.db2.gz WJSFCSSZMOGVJK-ZEQRLZLVSA-N 1 0 524.705 6.911 1 0 KKAFRO CCCC[NH+](CCCC)Cc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c1 ZINC000013736874 561725575 /nfs/dbraw/zinc/72/55/75/561725575.db2.gz ZRZAQUNJJMKXBC-UHFFFAOYSA-N 1 0 519.818 8.969 1 0 KKAFRO CCCC(=O)c1cnc2c(OCCC[N@H+](C)CCCc3ccccc3)cccc2c1Nc1ccccc1C ZINC000013742239 561726238 /nfs/dbraw/zinc/72/62/38/561726238.db2.gz IJRNRHMLDIKGKA-UHFFFAOYSA-N 1 0 509.694 7.603 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781691 561729441 /nfs/dbraw/zinc/72/94/41/561729441.db2.gz QQVFLDPVNBJVOR-LJAQVGFWSA-N 1 0 540.770 6.027 1 0 KKAFRO COc1ccc2c(c1)[C@H](NC(=O)CCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@@H]1CCCC[C@H]1CS2 ZINC000013820106 561732594 /nfs/dbraw/zinc/73/25/94/561732594.db2.gz RINQYLCWBJBXTD-DQGPIALTSA-N 1 0 511.707 5.506 1 0 KKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCCOc3ccc(Br)cc3)CC2)cc1 ZINC000013824970 561732879 /nfs/dbraw/zinc/73/28/79/561732879.db2.gz WNVJJEDPZQZSHU-UHFFFAOYSA-N 1 0 500.427 7.040 1 0 KKAFRO COc1ccc2c(c1)sc(-c1ccc(CO)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834310 561734190 /nfs/dbraw/zinc/73/41/90/561734190.db2.gz QLIQZGASQNDQNO-UHFFFAOYSA-N 1 0 501.648 6.165 1 0 KKAFRO NC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834319 561734200 /nfs/dbraw/zinc/73/42/00/561734200.db2.gz FQWDDMVTJPDJBJ-UHFFFAOYSA-N 1 0 500.620 5.469 1 0 KKAFRO C[NH+](C)CC(C)(C)CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000013862916 561735010 /nfs/dbraw/zinc/73/50/10/561735010.db2.gz NEADWQYKOBKUBP-UHFFFAOYSA-N 1 0 518.493 5.918 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@](O)(CC[NH+](C)C)c1cccc(F)c1 ZINC000014020168 561736160 /nfs/dbraw/zinc/73/61/60/561736160.db2.gz TZNZMTAIOJDNJP-IAPPQJPRSA-N 1 0 523.446 6.116 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000014192185 561737533 /nfs/dbraw/zinc/73/75/33/561737533.db2.gz IQPWKAIEQBOLPJ-ROJLCIKYSA-N 1 0 583.754 5.875 1 0 in-vitro KKAFRO CCCCCc1ccc(CN(C(=[NH+]c2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255596 561738598 /nfs/dbraw/zinc/73/85/98/561738598.db2.gz INJFMUAVDSEOMZ-VWLOTQADSA-N 1 0 563.783 7.416 1 0 KKAFRO O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000014946533 561743939 /nfs/dbraw/zinc/74/39/39/561743939.db2.gz JXZPABCPJFWXOY-UHFFFAOYSA-N 1 0 552.740 6.610 1 0 KKAFRO Clc1cc(Cl)c2c(c1)[nH+]c1c(c2NCCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947269 561744541 /nfs/dbraw/zinc/74/45/41/561744541.db2.gz TVJGNZTYBOUSAY-UHFFFAOYSA-N 1 0 578.653 10.002 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(Br)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949872 561745255 /nfs/dbraw/zinc/74/52/55/561745255.db2.gz GCPRDYGAADRGPV-UHFFFAOYSA-N 1 0 561.933 6.425 1 0 KKAFRO CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1F)c2=O ZINC000014950518 561745588 /nfs/dbraw/zinc/74/55/88/561745588.db2.gz VBAWFAPJSYXGPR-UHFFFAOYSA-N 1 0 567.621 5.159 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(N)c4)c3C2=O)cc1 ZINC000014950577 561745678 /nfs/dbraw/zinc/74/56/78/561745678.db2.gz VEQXNYMNICHOPH-UHFFFAOYSA-N 1 0 505.544 5.405 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1 ZINC000014950890 561745922 /nfs/dbraw/zinc/74/59/22/561745922.db2.gz MDFMMWJAJRKSRK-NDEPHWFRSA-N 1 0 524.628 6.270 1 0 KKAFRO CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1 ZINC000016052882 561754074 /nfs/dbraw/zinc/75/40/74/561754074.db2.gz KMNCFOUKJYOZIF-QGZVFWFLSA-N 1 0 507.978 5.245 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]CCS2)c1Cl ZINC000014963145 561748816 /nfs/dbraw/zinc/74/88/16/561748816.db2.gz KYTPBHITFYEVPE-UHFFFAOYSA-N 1 0 584.938 6.151 1 0 KKAFRO Cc1cccc(C)c1OC(=O)N(c1ccccc1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000014965401 561749644 /nfs/dbraw/zinc/74/96/44/561749644.db2.gz JHOJBACWBQNOPM-UHFFFAOYSA-N 1 0 508.626 5.926 1 0 KKAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966512 561749943 /nfs/dbraw/zinc/74/99/43/561749943.db2.gz UERMDDSMFCIPGD-XMMPIXPASA-N 1 0 521.490 5.132 1 0 KKAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966508 561749994 /nfs/dbraw/zinc/74/99/94/561749994.db2.gz UERMDDSMFCIPGD-DEOSSOPVSA-N 1 0 521.490 5.132 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000014970486 561750939 /nfs/dbraw/zinc/75/09/39/561750939.db2.gz QIYOXEQGZPLGBP-INJOXJOKSA-N 1 0 631.781 5.491 1 0 KKAFRO COc1cc([C@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545716 561755979 /nfs/dbraw/zinc/75/59/79/561755979.db2.gz IQNOCJOXCXCTPY-QHCPKHFHSA-N 1 0 559.659 6.121 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+]1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545845 561756128 /nfs/dbraw/zinc/75/61/28/561756128.db2.gz KMZREGRJNGBBIZ-DEOSSOPVSA-N 1 0 567.723 6.577 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545848 561756187 /nfs/dbraw/zinc/75/61/87/561756187.db2.gz KMZREGRJNGBBIZ-XMMPIXPASA-N 1 0 567.723 6.577 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577439 561756623 /nfs/dbraw/zinc/75/66/23/561756623.db2.gz DBBZAQRWWGKFDO-HXUOFSJXSA-N 1 0 578.600 8.808 3 0 KKAFRO O=C(NCCNCC[NH2+]CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000019366932 561758535 /nfs/dbraw/zinc/75/85/35/561758535.db2.gz ZTTZZTPTFFRXLO-UHFFFAOYSA-N 1 0 608.746 5.456 1 0 KKAFRO COc1ccc(CN2CC[NH+](C[C@@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000022448005 561759026 /nfs/dbraw/zinc/75/90/26/561759026.db2.gz IQGSRHMTIXSIET-JOCHJYFZSA-N 1 0 587.356 5.507 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000022450331 561759262 /nfs/dbraw/zinc/75/92/62/561759262.db2.gz BRRJNHJWPVIHFG-UHFFFAOYSA-N 1 0 615.888 5.727 1 0 KKAFRO O=C1NCc2c(-c3ccccc3Cl)cc(CN3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000022926583 561759676 /nfs/dbraw/zinc/75/96/76/561759676.db2.gz BUMVPZCWXPLQDF-UHFFFAOYSA-N 1 0 501.845 6.080 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCC[NH+]1CCN(C)CC1 ZINC000022925844 561759751 /nfs/dbraw/zinc/75/97/51/561759751.db2.gz QPWGTBVZQDMKHE-UHFFFAOYSA-N 1 0 523.725 6.486 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CC[NH2+]CC3)c3ccccc23)cc1 ZINC000023358653 561761917 /nfs/dbraw/zinc/76/19/17/561761917.db2.gz VLIPVZYNIVEZLO-UHFFFAOYSA-N 1 0 526.685 5.559 1 0 KKAFRO COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CC[NH+](C)CC6)c5)nc4c3)c2cc1OC ZINC000023359481 561762095 /nfs/dbraw/zinc/76/20/95/561762095.db2.gz OGLAJZUWRJDROE-UHFFFAOYSA-N 1 0 560.054 6.330 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CC[NH+](C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000024815575 561762466 /nfs/dbraw/zinc/76/24/66/561762466.db2.gz VSJXTUFWPAOYLC-UHFFFAOYSA-N 1 0 686.810 6.225 1 0 in-vitro KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[NH+]5CCCC5)CC4)cc2)CC3)cc1 ZINC000024980026 561762614 /nfs/dbraw/zinc/76/26/14/561762614.db2.gz VNHRSGCBTKUBAX-UHFFFAOYSA-N 1 0 510.560 5.230 1 0 in-vitro KKAFRO CC[N@H+](C)CCN(CCOCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000026019573 561766616 /nfs/dbraw/zinc/76/66/16/561766616.db2.gz UXBOJZYJDWUIHB-UHFFFAOYSA-N 1 0 639.769 6.634 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166157 561769145 /nfs/dbraw/zinc/76/91/45/561769145.db2.gz ANTJGNUUYFJSAJ-NZQKXSOJSA-N 1 0 509.071 5.742 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166162 561769149 /nfs/dbraw/zinc/76/91/49/561769149.db2.gz ANTJGNUUYFJSAJ-REWPJTCUSA-N 1 0 509.071 5.742 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2Cl)cc1 ZINC000026166167 561769196 /nfs/dbraw/zinc/76/91/96/561769196.db2.gz ANTJGNUUYFJSAJ-NFBKMPQASA-N 1 0 509.071 5.742 1 0 KKAFRO COc1ccc(C[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168220 561769502 /nfs/dbraw/zinc/76/95/02/561769502.db2.gz JLQYRBBOFMIMNP-XUZZJYLKSA-N 1 0 504.652 5.097 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026248412 561773630 /nfs/dbraw/zinc/77/36/30/561773630.db2.gz KCFRZWANFUYIQH-QHCPKHFHSA-N 1 0 570.690 5.456 1 0 KKAFRO COc1ccc([C@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267290 561776531 /nfs/dbraw/zinc/77/65/31/561776531.db2.gz CNORTMXIZFGKGH-QNGWXLTQSA-N 1 0 629.867 8.139 1 0 KKAFRO CCCCCS[C@H](CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275441 561778060 /nfs/dbraw/zinc/77/80/60/561778060.db2.gz JHMLCLNXGMKKNW-SSEXGKCCSA-N 1 0 515.760 7.304 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@@H]3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277358 561778445 /nfs/dbraw/zinc/77/84/45/561778445.db2.gz WKBKYOBZIJPMBM-SSEXGKCCSA-N 1 0 600.691 5.521 1 0 KKAFRO COC(=O)[C@](CCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282086 561779092 /nfs/dbraw/zinc/77/90/92/561779092.db2.gz LEPRSEYFDFHJBY-JGCGQSQUSA-N 1 0 565.732 6.029 1 0 KKAFRO CCCN(C(=O)Nc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498140 561794689 /nfs/dbraw/zinc/79/46/89/561794689.db2.gz CUXOTFRTNXVNGO-NDEPHWFRSA-N 1 0 562.780 5.890 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000026383285 561783643 /nfs/dbraw/zinc/78/36/43/561783643.db2.gz XIFBINSBYPAWLH-UHFFFAOYSA-N 1 0 620.750 7.000 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026388515 561785066 /nfs/dbraw/zinc/78/50/66/561785066.db2.gz GSOPXGLXCBBBCS-NHZFLZHXSA-N 1 0 610.651 6.060 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)/C=C/c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389430 561785330 /nfs/dbraw/zinc/78/53/30/561785330.db2.gz UIKUVTUGIBTQHX-CHLAXGMRSA-N 1 0 512.506 5.545 1 0 KKAFRO NC([NH3+])c1ccc([C@@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390791 561785775 /nfs/dbraw/zinc/78/57/75/561785775.db2.gz HGGWYECIIAISPG-XIFFEERXSA-N 1 0 579.593 7.175 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cc3cc(-c4c(C)oc(C)c4C(=O)OC)ccc3nc2Cl)C1C(=O)OC ZINC000026395623 561786894 /nfs/dbraw/zinc/78/68/94/561786894.db2.gz HJWRFOCFZJFHKK-ZIQKBVDBSA-N 1 0 538.984 5.973 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N(C)CC[NH+](C)C)C(C)C ZINC000026397260 561787250 /nfs/dbraw/zinc/78/72/50/561787250.db2.gz MANLQMSVKREPRE-PYPNIHNUSA-N 1 0 725.983 5.359 1 0 KKAFRO COc1cc(Cn2c3ccccc3nc2-c2ccc(OCCn3cccn3)cc2)ccc1C[NH+]1CCCC1 ZINC000026402969 561788895 /nfs/dbraw/zinc/78/88/95/561788895.db2.gz FQRHPDMNYNGPKC-UHFFFAOYSA-N 1 0 507.638 5.632 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480435 561791658 /nfs/dbraw/zinc/79/16/58/561791658.db2.gz QHNQTSSNDKCNAC-CDAOMREXSA-N 1 0 662.683 5.671 1 0 KKAFRO CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 561792093 /nfs/dbraw/zinc/79/20/93/561792093.db2.gz BQIFXNSKBXZEIQ-CYFREDJKSA-N 1 0 517.640 5.264 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026487208 561792644 /nfs/dbraw/zinc/79/26/44/561792644.db2.gz FBCSVOQZPCKHIA-ZCEBPYAASA-N 1 0 629.131 5.305 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488779 561792893 /nfs/dbraw/zinc/79/28/93/561792893.db2.gz PFQWBQMTZYYKPV-ZIQTWHDPSA-N 1 0 621.539 6.188 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488791 561792906 /nfs/dbraw/zinc/79/29/06/561792906.db2.gz PXTMWYMYHYLOSF-DJGFJIGHSA-N 1 0 607.512 5.798 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026491857 561793388 /nfs/dbraw/zinc/79/33/88/561793388.db2.gz QBXLXAUMNLADJH-GUNDDFSMSA-N 1 0 592.592 5.120 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492794 561793645 /nfs/dbraw/zinc/79/36/45/561793645.db2.gz CGQKCZPIKDKOIQ-BORWQBBJSA-N 1 0 649.549 5.569 1 0 KKAFRO CCCN(C(=O)NCc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496026 561794320 /nfs/dbraw/zinc/79/43/20/561794320.db2.gz XRRKFLBCLJVILR-PMERELPUSA-N 1 0 576.807 5.567 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026497363 561794596 /nfs/dbraw/zinc/79/45/96/561794596.db2.gz HRLAPQOFHQTVEC-HHHXNRCGSA-N 1 0 511.131 6.089 1 0 KKAFRO CCCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026501742 561795646 /nfs/dbraw/zinc/79/56/46/561795646.db2.gz NESOUKIOVGKPKU-SSEXGKCCSA-N 1 0 577.791 5.994 1 0 KKAFRO O=S(=O)(c1cccc2ccccc21)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026654332 561808962 /nfs/dbraw/zinc/80/89/62/561808962.db2.gz OEVPCWZBGFRZNA-HKBQPEDESA-N 1 0 528.674 5.356 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000026572242 561798264 /nfs/dbraw/zinc/79/82/64/561798264.db2.gz VJGOUBCAZPOTIY-XIFFEERXSA-N 1 0 606.163 5.059 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccccc2OC)C1 ZINC000026657580 561809596 /nfs/dbraw/zinc/80/95/96/561809596.db2.gz IDVQINSMOIOUOV-QNGWXLTQSA-N 1 0 698.953 7.332 1 0 KKAFRO CC[NH2+]CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576766 561800589 /nfs/dbraw/zinc/80/05/89/561800589.db2.gz BUURSZNRBHIPJY-UHFFFAOYSA-N 1 0 659.231 5.958 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc(=O)n(C)c2)c1 ZINC000026579618 561804947 /nfs/dbraw/zinc/80/49/47/561804947.db2.gz ZJBDAZDSQLFTCP-OQERGNBTSA-N 1 0 592.828 6.765 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000026642510 561806811 /nfs/dbraw/zinc/80/68/11/561806811.db2.gz AAVVKVVWHPCJSK-WXTZLZKPSA-N 1 0 667.724 7.610 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642871 561806948 /nfs/dbraw/zinc/80/69/48/561806948.db2.gz SZESKYUCLVPQFH-QSSUKDSPSA-N 1 0 591.626 5.943 1 0 KKAFRO C[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000026647600 561807750 /nfs/dbraw/zinc/80/77/50/561807750.db2.gz QBDQYYQDOAPAPB-XGCWNURASA-N 1 0 666.886 5.705 1 0 KKAFRO CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)c(=O)[nH]2)ccc1C ZINC000026652316 561808619 /nfs/dbraw/zinc/80/86/19/561808619.db2.gz KFYHXPCEHZVDQU-UHFFFAOYSA-N 1 0 579.063 5.587 1 0 KKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026660719 561810378 /nfs/dbraw/zinc/81/03/78/561810378.db2.gz OKWPNFAMBNYWLU-LMSSTIIKSA-N 1 0 503.687 5.265 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH+](CC4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026670171 561812200 /nfs/dbraw/zinc/81/22/00/561812200.db2.gz VATQLKILEGFOAH-UHFFFAOYSA-N 1 0 572.939 8.794 1 0 KKAFRO CC[NH+](CC)CCCCC(=O)OCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719853 561814931 /nfs/dbraw/zinc/81/49/31/561814931.db2.gz IPOXNCVFCJPRCT-UHFFFAOYSA-N 1 0 580.173 6.612 1 0 KKAFRO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026725103 561815811 /nfs/dbraw/zinc/81/58/11/561815811.db2.gz PRDRZXROMYANHC-YTMVLYRLSA-N 1 0 532.706 5.396 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026735673 561817366 /nfs/dbraw/zinc/81/73/66/561817366.db2.gz UWZCXFMGRUEOHE-OUDZLNJNSA-N 1 0 520.629 5.152 1 0 KKAFRO C[C@@]12CC[C@H]([C@H](CCc3ccccc3)[NH2+]Cc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817538 561820494 /nfs/dbraw/zinc/82/04/94/561820494.db2.gz ZLIRLZAMHIFQMM-HECROARWSA-N 1 0 527.837 8.434 1 0 KKAFRO C[C@@]12CC[C@H]([C@@H](CCc3ccccc3)[NH2+]Cc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817534 561820505 /nfs/dbraw/zinc/82/05/05/561820505.db2.gz ZLIRLZAMHIFQMM-ZCXAPPLTSA-N 1 0 527.837 8.434 1 0 KKAFRO O=C1CC2(CC[NH+](CC[C@@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833525 561823547 /nfs/dbraw/zinc/82/35/47/561823547.db2.gz MGIDXWHXFOXZPR-PWUYWRBVSA-N 1 0 542.079 5.727 1 0 KKAFRO O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026833517 561823554 /nfs/dbraw/zinc/82/35/54/561823554.db2.gz HJLPYDCDKYIKCT-SUYBVONHSA-N 1 0 555.122 6.338 1 0 KKAFRO CC(C)([NH3+])CC(=O)N(Cc1ccccc1)[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026835606 561824246 /nfs/dbraw/zinc/82/42/46/561824246.db2.gz UUCSYRJGFJPMOY-JGCGQSQUSA-N 1 0 599.739 5.538 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000026837945 561824869 /nfs/dbraw/zinc/82/48/69/561824869.db2.gz CPCUDQSFKDHFRK-SSEXGKCCSA-N 1 0 603.854 6.454 1 0 KKAFRO O=C(NCC[NH+]1CCCC1)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026840442 561825579 /nfs/dbraw/zinc/82/55/79/561825579.db2.gz UCNDRGGJCFHDEO-PGUFJCEWSA-N 1 0 580.704 5.590 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840418 561825584 /nfs/dbraw/zinc/82/55/84/561825584.db2.gz COQRQYDTULKQEN-SXKDACEVSA-N 1 0 576.162 5.132 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCC[NH+](C)C)CC3)Cc3ccccc32)cc1 ZINC000026840447 561825590 /nfs/dbraw/zinc/82/55/90/561825590.db2.gz DDDKWJJIQKFHHH-UUWRZZSWSA-N 1 0 568.693 5.364 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026840895 561825731 /nfs/dbraw/zinc/82/57/31/561825731.db2.gz QCUCGGLZTFSKRO-IAEPJQJBSA-N 1 0 530.621 6.337 1 0 KKAFRO CC(C)(C)c1cc([C@H]2SCC(=O)N2CCC[N@H+](CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841934 561825914 /nfs/dbraw/zinc/82/59/14/561825914.db2.gz JROGEIVTQALTED-GDLZYMKVSA-N 1 0 572.768 5.053 1 0 KKAFRO O=S(=O)(c1cccs1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026844276 561826200 /nfs/dbraw/zinc/82/62/00/561826200.db2.gz MDZZMKUJQUEUHZ-RRPNLBNLSA-N 1 0 524.752 5.002 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCCC[NH+](C)C)CC3)Cc3ccccc32)cc1 ZINC000026844948 561826398 /nfs/dbraw/zinc/82/63/98/561826398.db2.gz BZWQFQJYEATIKN-DHUJRADRSA-N 1 0 582.720 5.754 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCCC2)c(C(C)C)c1 ZINC000026846226 561826539 /nfs/dbraw/zinc/82/65/39/561826539.db2.gz QGYPULFQPNULSG-NDEPHWFRSA-N 1 0 554.801 5.633 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccccc2-c2ccccc2)C1C(=O)OCC ZINC000026849005 561827056 /nfs/dbraw/zinc/82/70/56/561827056.db2.gz AIPUGYVKGPVRPC-IQKFOVTFSA-N 1 0 514.622 6.637 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848887 561827074 /nfs/dbraw/zinc/82/70/74/561827074.db2.gz RSRKUMMFMMRVHW-GDLZYMKVSA-N 1 0 601.525 5.552 1 0 KKAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=[NH2+])NCc1ccccc1Cl ZINC000026935389 561827422 /nfs/dbraw/zinc/82/74/22/561827422.db2.gz LKIRBVMNNGVMKU-CONSDPRKSA-N 1 0 582.148 5.368 1 0 KKAFRO CCn1c(=O)/c(=C/C=C2\Sc3ccc4ccccc4c3N2CC)s/c1=C\C1=[N+](CC)[C@H]2C=Cc3ccccc3[C@H]2S1 ZINC000026938145 561827880 /nfs/dbraw/zinc/82/78/80/561827880.db2.gz HCZMYZQEAXQBEE-VLCBRMTOSA-N 1 0 594.851 6.432 1 0 KKAFRO COc1ccc(S(=O)(=O)n2c(C[NH2+][C@@H](C)c3cccc4ccccc43)cc3ccccc32)cc1OC ZINC000026992103 561832584 /nfs/dbraw/zinc/83/25/84/561832584.db2.gz ZIGXCTDJGNJPEL-FQEVSTJZSA-N 1 0 500.620 5.900 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027092488 561837430 /nfs/dbraw/zinc/83/74/30/561837430.db2.gz BQSUSBHVSCBKEG-UHFFFAOYSA-N 1 0 604.769 5.053 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)SCCS3)cc2)cc1 ZINC000027093743 561837712 /nfs/dbraw/zinc/83/77/12/561837712.db2.gz KJJUDKQPANVCQE-UHFFFAOYSA-N 1 0 636.905 6.486 1 0 KKAFRO CCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106199 561840148 /nfs/dbraw/zinc/84/01/48/561840148.db2.gz XLLDPLOTIOIWDK-GJBCSVNNSA-N 1 0 681.944 5.226 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@](C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027106537 561840285 /nfs/dbraw/zinc/84/02/85/561840285.db2.gz VEFHCOLQNWCREK-XIFFEERXSA-N 1 0 562.776 6.322 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4nc(Cc5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027108142 561840735 /nfs/dbraw/zinc/84/07/35/561840735.db2.gz GEDJITQRLAQHEL-QFBSZDFWSA-N 1 0 543.667 5.139 1 0 KKAFRO CCNc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027191168 561843512 /nfs/dbraw/zinc/84/35/12/561843512.db2.gz SXLJHKWLMOZNAE-UHFFFAOYSA-N 1 0 622.741 7.271 1 0 KKAFRO O=C([O-])[C@H](CC1CCC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083342 561835672 /nfs/dbraw/zinc/83/56/72/561835672.db2.gz UUQGJUFZXHHWRQ-DTXPUJKBSA-N 1 0 543.777 6.272 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](C2CCCC2)C1=O ZINC000027199256 561844806 /nfs/dbraw/zinc/84/48/06/561844806.db2.gz KKFBTFCVHZOBSO-RPLLCQBOSA-N 1 0 502.655 5.258 1 0 KKAFRO O=C(NCc1ccccc1)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027210065 561846976 /nfs/dbraw/zinc/84/69/76/561846976.db2.gz XRQUMBICQIZGDT-UHFFFAOYSA-N 1 0 582.188 6.889 1 0 KKAFRO O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F ZINC000027214561 561848041 /nfs/dbraw/zinc/84/80/41/561848041.db2.gz ISVKGDHOGUJFME-UHFFFAOYSA-N 1 0 604.141 7.490 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)[N@@H+]2C ZINC000027215915 561848407 /nfs/dbraw/zinc/84/84/07/561848407.db2.gz QJWIKJQDFYXPFY-WOZUAGRISA-N 1 0 523.265 5.342 1 0 KKAFRO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027316259 561851691 /nfs/dbraw/zinc/85/16/91/561851691.db2.gz VEKTWXXOIONPMB-QZLYUDJUSA-N 1 0 617.856 5.901 1 0 KKAFRO C[N@H+](CCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323552 561853141 /nfs/dbraw/zinc/85/31/41/561853141.db2.gz YPTNDYMMJHLBEN-UHFFFAOYSA-N 1 0 538.541 7.652 1 0 KKAFRO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027325559 561853434 /nfs/dbraw/zinc/85/34/34/561853434.db2.gz QQTGURBPGZKXMQ-UHFFFAOYSA-N 1 0 610.730 6.379 1 0 KKAFRO COc1cc(OCC[N@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430736 561859188 /nfs/dbraw/zinc/85/91/88/561859188.db2.gz LGXYJZXPHICFLX-SSEXGKCCSA-N 1 0 588.811 5.988 1 0 KKAFRO CCCC[C@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C ZINC000027441987 561860786 /nfs/dbraw/zinc/86/07/86/561860786.db2.gz NHQNXUAJLTWRDQ-SVEHJYQDSA-N 1 0 550.769 6.038 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027441959 561860805 /nfs/dbraw/zinc/86/08/05/561860805.db2.gz LQUHPSCNOVBDIJ-XOHQIPOJSA-N 1 0 603.188 5.876 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441573 561860840 /nfs/dbraw/zinc/86/08/40/561860840.db2.gz OMLNPCUJLGBVNZ-XMMPIXPASA-N 1 0 585.589 5.803 1 0 KKAFRO CN(C[C@@H](c1ccc2c(c1)OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027442303 561861009 /nfs/dbraw/zinc/86/10/09/561861009.db2.gz XYBXCIWXRFPEBP-VWLOTQADSA-N 1 0 599.616 6.145 1 0 KKAFRO COc1cccc([C@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000027517279 561861039 /nfs/dbraw/zinc/86/10/39/561861039.db2.gz YIMFULYKLFRIFR-SANMLTNESA-N 1 0 615.659 6.434 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518044 561861856 /nfs/dbraw/zinc/86/18/56/561861856.db2.gz UEXAKWLHQITACD-LJAQVGFWSA-N 1 0 591.640 7.228 1 0 KKAFRO COC(=O)OC[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027518307 561862119 /nfs/dbraw/zinc/86/21/19/561862119.db2.gz XUFMXCBQACDHBU-SSEXGKCCSA-N 1 0 599.664 5.831 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000027518520 561862432 /nfs/dbraw/zinc/86/24/32/561862432.db2.gz HWAOAHKCJZNXSB-VWLOTQADSA-N 1 0 580.569 6.116 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000027518778 561862643 /nfs/dbraw/zinc/86/26/43/561862643.db2.gz FMTGTQYIPPNOGJ-AWALLWLZSA-N 1 0 531.656 5.790 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cccnc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027519025 561862900 /nfs/dbraw/zinc/86/29/00/561862900.db2.gz XVGQYNJHKKYLAU-OAQYLSRUSA-N 1 0 531.056 6.024 1 0 KKAFRO Cc1nnc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)s1 ZINC000027520343 561863529 /nfs/dbraw/zinc/86/35/29/561863529.db2.gz ZPEUSSBIORIGNM-LJQANCHMSA-N 1 0 552.100 5.789 1 0 KKAFRO CC1([NH+]2CCC(Cc3ccc(Br)cc3)CC2)CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000027521999 561864310 /nfs/dbraw/zinc/86/43/10/561864310.db2.gz IUDQPETVIOJOOE-UHFFFAOYSA-N 1 0 505.500 6.552 1 0 KKAFRO CC1(C)CC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC(C)(C)[NH2+]1 ZINC000027524592 561865752 /nfs/dbraw/zinc/86/57/52/561865752.db2.gz JPAXUPOTRXLXQE-UHFFFAOYSA-N 1 0 555.937 7.734 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)CC3)CC1 ZINC000027524888 561865892 /nfs/dbraw/zinc/86/58/92/561865892.db2.gz CGTKKBWMFVAOFJ-UHFFFAOYSA-N 1 0 545.913 8.652 1 0 KKAFRO C[C@@H]1C[N@H+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027525006 561865922 /nfs/dbraw/zinc/86/59/22/561865922.db2.gz CBIYBJFMBUATEB-WMPKNSHKSA-N 1 0 606.704 7.550 1 0 KKAFRO CC(C)[NH+]1CCC(Nc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000027526041 561866122 /nfs/dbraw/zinc/86/61/22/561866122.db2.gz XEQBKWGVMSNLAI-UHFFFAOYSA-N 1 0 543.926 7.960 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2c(Br)cc(Br)cc2Br)CC1 ZINC000027527139 561866713 /nfs/dbraw/zinc/86/67/13/561866713.db2.gz MHXYNUBOYVIBFZ-UHFFFAOYSA-N 1 0 631.272 7.336 1 0 KKAFRO CCCS(=O)(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027559760 561870518 /nfs/dbraw/zinc/87/05/18/561870518.db2.gz RUGJUIFLNYTOBZ-UHFFFAOYSA-N 1 0 646.854 6.169 1 0 KKAFRO CCC(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027560973 561870598 /nfs/dbraw/zinc/87/05/98/561870598.db2.gz DCSLGZAZPJCCNH-UHFFFAOYSA-N 1 0 596.772 6.365 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633600 561874156 /nfs/dbraw/zinc/87/41/56/561874156.db2.gz UMLDLWMDFVEGKD-KAODMTDESA-N 1 0 675.940 5.417 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cc1)CC2 ZINC000027709643 561879448 /nfs/dbraw/zinc/87/94/48/561879448.db2.gz MPIJIUHDGCZSJS-UHFFFAOYSA-N 1 0 541.673 5.871 1 0 KKAFRO O=c1[nH]c2cc(Cl)c(Cl)cc2n1C1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027712187 561879814 /nfs/dbraw/zinc/87/98/14/561879814.db2.gz AXWZIOCIDYTEJE-UHFFFAOYSA-N 1 0 531.434 6.780 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCCCCCCCCCCCCCCCOC)C1 ZINC000027739412 561882265 /nfs/dbraw/zinc/88/22/65/561882265.db2.gz GMHWSJTUCKIFIV-XLJNKUFUSA-N 1 0 577.827 6.966 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCCCCCCCCCCCCCCCOC)C1 ZINC000027739431 561882343 /nfs/dbraw/zinc/88/23/43/561882343.db2.gz GMHWSJTUCKIFIV-BHYZAODMSA-N 1 0 577.827 6.966 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 ZINC000027743287 561882789 /nfs/dbraw/zinc/88/27/89/561882789.db2.gz HKGFIDFQQGCMRN-BFGHFXMOSA-N 1 0 589.753 6.303 1 0 KKAFRO CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000027865203 561887568 /nfs/dbraw/zinc/88/75/68/561887568.db2.gz JWEKMVPNQIFETE-PMERELPUSA-N 1 0 593.794 5.207 1 0 KKAFRO COc1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000027988901 561892658 /nfs/dbraw/zinc/89/26/58/561892658.db2.gz GECFPZABSKHOMR-YTTGMZPUSA-N 1 0 612.554 5.245 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887115 561889562 /nfs/dbraw/zinc/88/95/62/561889562.db2.gz IRAHZTFWKBJEBI-PMERELPUSA-N 1 0 525.064 5.915 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)Nc4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027982333 561891836 /nfs/dbraw/zinc/89/18/36/561891836.db2.gz RZFNALCVMNTIDN-XIFFEERXSA-N 1 0 642.580 6.085 1 0 KKAFRO CON[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027986286 561892329 /nfs/dbraw/zinc/89/23/29/561892329.db2.gz IFPPRPWFEFODEU-LITSAYRRSA-N 1 0 679.529 8.225 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nsnc3c2)c1 ZINC000027986267 561892356 /nfs/dbraw/zinc/89/23/56/561892356.db2.gz RMVSZBRIILAXIH-WUXOVTSDSA-N 1 0 619.879 8.071 1 0 KKAFRO COc1cc2c(cc1OC[C@H](O)C[NH+]1CCCCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027987108 561892375 /nfs/dbraw/zinc/89/23/75/561892375.db2.gz TYILTPXOEDGRFG-HHHXNRCGSA-N 1 0 555.719 7.302 1 0 KKAFRO CC(=O)Nc1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000027990667 561892979 /nfs/dbraw/zinc/89/29/79/561892979.db2.gz BIDZTODFGRDEQL-YTTGMZPUSA-N 1 0 609.554 5.186 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(C[S@@](=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997743 561894166 /nfs/dbraw/zinc/89/41/66/561894166.db2.gz LQSUAQGHNGOZSB-XEDFXBRGSA-N 1 0 659.632 5.890 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCN(CCc3cc(OC)c(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028006024 561895499 /nfs/dbraw/zinc/89/54/99/561895499.db2.gz LJXKIMGZTFCYDE-UMSFTDKQSA-N 1 0 621.800 5.508 1 0 KKAFRO COc1ccc(OCCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028008428 561895997 /nfs/dbraw/zinc/89/59/97/561895997.db2.gz LWRRCCPIMMTAQR-XIFFEERXSA-N 1 0 558.744 6.997 1 0 KKAFRO COc1ccc(C(=O)N2CC[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028010243 561896245 /nfs/dbraw/zinc/89/62/45/561896245.db2.gz BUBGVFLMAHPWIA-HKBQPEDESA-N 1 0 580.556 5.695 1 0 KKAFRO CCn1nc(-c2cccc3ccccc32)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011321 561896333 /nfs/dbraw/zinc/89/63/33/561896333.db2.gz ABERAISYKNNXRL-PHYCXYHLSA-N 1 0 622.829 7.791 1 0 KKAFRO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015026 561897121 /nfs/dbraw/zinc/89/71/21/561897121.db2.gz DWPMZRNGNHVNJD-LEFKNYOOSA-N 1 0 576.757 5.733 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015967 561897258 /nfs/dbraw/zinc/89/72/58/561897258.db2.gz VNPRRWYEJITHNB-LKQHQURMSA-N 1 0 560.758 6.027 1 0 KKAFRO CC(=[NH2+])NCc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028017210 561897503 /nfs/dbraw/zinc/89/75/03/561897503.db2.gz HIJFDIOXAYJNDY-UHFFFAOYSA-N 1 0 532.431 6.647 1 0 KKAFRO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028021870 561898501 /nfs/dbraw/zinc/89/85/01/561898501.db2.gz DKLYXIOKIUWOPO-OQJGNAAVSA-N 1 0 632.865 7.206 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3oncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028091538 561899951 /nfs/dbraw/zinc/89/99/51/561899951.db2.gz HSHKKXRXLZJPEI-DCMFLLSESA-N 1 0 541.736 6.194 1 0 KKAFRO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092321 561900117 /nfs/dbraw/zinc/90/01/17/561900117.db2.gz RYJRZGRSMBZHTK-NXLXXTAESA-N 1 0 726.959 7.394 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000028104188 561902049 /nfs/dbraw/zinc/90/20/49/561902049.db2.gz XKOGFRLCVUGXQM-FQEVSTJZSA-N 1 0 555.953 7.032 1 0 KKAFRO COc1ccc([C@@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028113949 561903483 /nfs/dbraw/zinc/90/34/83/561903483.db2.gz XYDCBDBLPIJGQD-RUZDIDTESA-N 1 0 505.490 5.815 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000028116896 561903911 /nfs/dbraw/zinc/90/39/11/561903911.db2.gz HWPHQPMZIHYQFM-HXUWFJFHSA-N 1 0 539.498 6.517 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000028118214 561904062 /nfs/dbraw/zinc/90/40/62/561904062.db2.gz JFXCXQOKAKRIBF-OAQYLSRUSA-N 1 0 571.515 7.258 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000028118575 561904242 /nfs/dbraw/zinc/90/42/42/561904242.db2.gz VWTADDJLCLNKRO-QFIPXVFZSA-N 1 0 503.518 6.239 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000028118582 561904254 /nfs/dbraw/zinc/90/42/54/561904254.db2.gz VWTADDJLCLNKRO-JOCHJYFZSA-N 1 0 503.518 6.239 1 0 KKAFRO Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028124676 561904774 /nfs/dbraw/zinc/90/47/74/561904774.db2.gz QMHHJGXDVINUBR-LJAQVGFWSA-N 1 0 539.582 5.804 1 0 KKAFRO CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000028134642 561906299 /nfs/dbraw/zinc/90/62/99/561906299.db2.gz FCAGYEYOXSPEMM-HHHXNRCGSA-N 1 0 541.758 6.270 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028135541 561906442 /nfs/dbraw/zinc/90/64/42/561906442.db2.gz CNISADGWAXQKOC-SANMLTNESA-N 1 0 563.661 6.567 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222844 561907507 /nfs/dbraw/zinc/90/75/07/561907507.db2.gz CQWNTYVSWLSFBX-FGKXLKRUSA-N 1 0 590.652 9.396 1 0 KKAFRO Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1CN1CCCC1=O ZINC000028222565 561907550 /nfs/dbraw/zinc/90/75/50/561907550.db2.gz RRMBAANCMNHLRD-UHFFFAOYSA-N 1 0 540.729 6.770 1 0 KKAFRO CCCC[NH2+]C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028225256 561907965 /nfs/dbraw/zinc/90/79/65/561907965.db2.gz HLHNQXBYEPZYBL-QOCQXKEISA-N 1 0 533.556 8.488 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242487 561910636 /nfs/dbraw/zinc/91/06/36/561910636.db2.gz JPEORAAWSUPLJL-UHFFFAOYSA-N 1 0 644.143 7.501 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Nc1ccccc1)C(C)C ZINC000028330670 561912715 /nfs/dbraw/zinc/91/27/15/561912715.db2.gz AXRKVKQBIUAXQE-SSEXGKCCSA-N 1 0 528.697 5.632 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C ZINC000028332025 561912912 /nfs/dbraw/zinc/91/29/12/561912912.db2.gz UUARZGDHGBOXLA-HKBQPEDESA-N 1 0 591.774 5.135 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000028341066 561914054 /nfs/dbraw/zinc/91/40/54/561914054.db2.gz JOMUOBXQCQBUHB-PMERELPUSA-N 1 0 620.144 5.154 1 0 KKAFRO [NH3+][C@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028342045 561914268 /nfs/dbraw/zinc/91/42/68/561914268.db2.gz SJUIYCCLDVYYMH-RUZDIDTESA-N 1 0 517.573 5.183 1 0 KKAFRO C[C@@](O)(CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235861 561909627 /nfs/dbraw/zinc/90/96/27/561909627.db2.gz JJRGEKBCROFWOB-MXUSWONHSA-N 1 0 540.695 5.633 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235568 561909679 /nfs/dbraw/zinc/90/96/79/561909679.db2.gz YBQKEAUCKLRLLA-LXLYTFERSA-N 1 0 556.713 7.159 1 0 KKAFRO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238507 561910018 /nfs/dbraw/zinc/91/00/18/561910018.db2.gz FDZAPFIWXGZZEY-UHFFFAOYSA-N 1 0 664.778 7.434 1 0 KKAFRO Cc1ccc(Cl)c(OC2([C@H](C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3ccnc3)CCCCC2)c1 ZINC000028347698 561915196 /nfs/dbraw/zinc/91/51/96/561915196.db2.gz AFEMFTNPESLYFE-NDEPHWFRSA-N 1 0 534.104 6.148 1 0 KKAFRO Cc1ccc(Cl)c(OC2([C@@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)[NH+](C)C)CCCCC2)c1 ZINC000028356115 561916246 /nfs/dbraw/zinc/91/62/46/561916246.db2.gz LQXZWLDWDGUVKO-HHHXNRCGSA-N 1 0 511.110 5.640 1 0 KKAFRO CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028356924 561916253 /nfs/dbraw/zinc/91/62/53/561916253.db2.gz YQBDDKXLWVVVHC-UHFFFAOYSA-N 1 0 530.734 5.310 1 0 KKAFRO Cc1c(-c2csc(N(C)c3ccccc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360014 561916640 /nfs/dbraw/zinc/91/66/40/561916640.db2.gz MJRSTEUAPLZJTR-VWLOTQADSA-N 1 0 559.642 5.236 1 0 KKAFRO CC(C)(C)c1ccc(C(O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000028362800 561917016 /nfs/dbraw/zinc/91/70/16/561917016.db2.gz URPUPWUYXACLJH-UHFFFAOYSA-N 1 0 590.874 6.519 1 0 KKAFRO Cc1c(-c2csc(-c3ccccc3Cl)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028369548 561918050 /nfs/dbraw/zinc/91/80/50/561918050.db2.gz XADXSCOINDNOAE-DEOSSOPVSA-N 1 0 565.045 5.789 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000028369809 561918084 /nfs/dbraw/zinc/91/80/84/561918084.db2.gz CATLUVQPBGZMNF-HHHXNRCGSA-N 1 0 558.541 5.210 1 0 KKAFRO C[C@@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028373741 561918771 /nfs/dbraw/zinc/91/87/71/561918771.db2.gz YCTBURIPZZAXBL-YEBBBOQJSA-N 1 0 656.296 5.385 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028376446 561919225 /nfs/dbraw/zinc/91/92/25/561919225.db2.gz XYRYSTXFDOHOEK-UHFFFAOYSA-N 1 0 694.179 7.660 1 0 KKAFRO O=C(CC[NH+]1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028379075 561919786 /nfs/dbraw/zinc/91/97/86/561919786.db2.gz FVTWMYPHIWVRHU-UHFFFAOYSA-N 1 0 588.051 7.149 1 0 KKAFRO COc1cc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000028379783 561919958 /nfs/dbraw/zinc/91/99/58/561919958.db2.gz LTKGBSIEGYYQKT-UHFFFAOYSA-N 1 0 501.631 5.689 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000028389494 561921970 /nfs/dbraw/zinc/92/19/70/561921970.db2.gz ASOIAJVDWJWXOF-UHFFFAOYSA-N 1 0 685.842 6.232 1 0 KKAFRO O=C(NCCC[NH2+]CCCOc1ccc(Br)cc1Br)Nc1ccc(C(F)(F)F)cc1 ZINC000028395346 561923012 /nfs/dbraw/zinc/92/30/12/561923012.db2.gz XZBGIWDUKFEVPB-UHFFFAOYSA-N 1 0 553.217 5.801 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028468439 561926574 /nfs/dbraw/zinc/92/65/74/561926574.db2.gz ITZBNMYCADUWJP-HXUWFJFHSA-N 1 0 511.497 5.648 1 0 KKAFRO Cc1cc(C)c(-n2c3ccccc3n3c(C[NH+](CCc4ccccc4)CCc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028462969 561925673 /nfs/dbraw/zinc/92/56/73/561925673.db2.gz NBHPUYIEXXKQAF-UHFFFAOYSA-N 1 0 580.698 8.510 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028463406 561925753 /nfs/dbraw/zinc/92/57/53/561925753.db2.gz RBKDACLJKAMLFN-WNFINXHJSA-N 1 0 623.194 6.625 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[C@@H]2[NH3+])CC1 ZINC000028464401 561926014 /nfs/dbraw/zinc/92/60/14/561926014.db2.gz XLDGDUSCVKLZIR-MJSOWUPRSA-N 1 0 621.266 5.213 1 0 KKAFRO COc1cccc(OC)c1CC(=O)N1CC[C@H](C)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527655 561932576 /nfs/dbraw/zinc/93/25/76/561932576.db2.gz HWPIJKYZIWLKPB-QHCPKHFHSA-N 1 0 570.759 5.761 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc21 ZINC000028474374 561927608 /nfs/dbraw/zinc/92/76/08/561927608.db2.gz HWKKZBCQXGBFOY-QFIPXVFZSA-N 1 0 510.509 6.253 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522555 561929537 /nfs/dbraw/zinc/92/95/37/561929537.db2.gz MVOJJKZIKGYDLT-ZRZAMGCNSA-N 1 0 520.677 5.951 1 0 KKAFRO COc1ccc(CCN(Cc2ccc3ccc(C(N)=[NH2+])cc3c2)C(=O)c2cccc3ccccc32)cc1OC ZINC000028524848 561931012 /nfs/dbraw/zinc/93/10/12/561931012.db2.gz JMYLAWWVHLJYJL-UHFFFAOYSA-N 1 0 517.629 6.179 1 0 KKAFRO [NH3+]CCCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028525482 561931325 /nfs/dbraw/zinc/93/13/25/561931325.db2.gz NUSBIXNTTSIGSA-ZYADHFCISA-N 1 0 586.773 6.549 1 0 KKAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cc(Cl)ccc2n1C ZINC000028565144 561935909 /nfs/dbraw/zinc/93/59/09/561935909.db2.gz NNOQJLWWECHQDJ-UHFFFAOYSA-N 1 0 615.138 5.297 1 0 KKAFRO CC(C)(O)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)n2)s1 ZINC000028566851 561936484 /nfs/dbraw/zinc/93/64/84/561936484.db2.gz NMQGPYPYJSEVSC-UHFFFAOYSA-N 1 0 519.715 5.353 1 0 KKAFRO Cc1ccccc1-c1ccc(N2CC[NH+](C)CC2)nc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571507 561939409 /nfs/dbraw/zinc/93/94/09/561939409.db2.gz ANPYOUVKUYVENR-UHFFFAOYSA-N 1 0 578.601 6.787 1 0 KKAFRO C[NH2+]C1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@H](N2CCN(C)CC2)C3=O)CC1 ZINC000028572525 561940197 /nfs/dbraw/zinc/94/01/97/561940197.db2.gz PBHGXPVLHMQKRM-UKFCUMGVSA-N 1 0 535.132 5.395 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000028572586 561940277 /nfs/dbraw/zinc/94/02/77/561940277.db2.gz BDOAKUCQOMBQGQ-DFZDUAMZSA-N 1 0 536.589 5.575 1 0 KKAFRO CO[C@H](CCC1=CCCC=C1)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000028636187 561941259 /nfs/dbraw/zinc/94/12/59/561941259.db2.gz RLRJPAMIDWEUSL-BZKUTMRRSA-N 1 0 511.706 6.982 1 0 KKAFRO O=C(CCOc1c[nH]c2ccccc21)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000028637740 561941810 /nfs/dbraw/zinc/94/18/10/561941810.db2.gz QAGXISPTVQTZFB-UHFFFAOYSA-N 1 0 533.116 7.196 1 0 KKAFRO Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(C[NH2+]C(C)(C)C)ccc21)c1ccccc1 ZINC000028642725 561943847 /nfs/dbraw/zinc/94/38/47/561943847.db2.gz RFZOXQFIPGWDKX-CLJLJLNGSA-N 1 0 570.155 5.586 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(C[NH2+]C3CCC3)ccc21 ZINC000028643138 561944022 /nfs/dbraw/zinc/94/40/22/561944022.db2.gz NSDUYSBJPXNBES-KAYWLYCHSA-N 1 0 605.654 5.536 1 0 KKAFRO CC(C)C[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028643040 561944050 /nfs/dbraw/zinc/94/40/50/561944050.db2.gz IPSQDXSOUXFERT-FIRIVFDPSA-N 1 0 571.743 5.635 1 0 KKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028644864 561944459 /nfs/dbraw/zinc/94/44/59/561944459.db2.gz WOFRNMWURPZWBM-ODFDAMGESA-N 1 0 611.808 6.652 1 0 KKAFRO COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000028709283 561950621 /nfs/dbraw/zinc/95/06/21/561950621.db2.gz BCBBFKYJEZTSLR-YTTGMZPUSA-N 1 0 540.685 6.008 1 0 KKAFRO CN(C)Cc1ncc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650307 561945886 /nfs/dbraw/zinc/94/58/86/561945886.db2.gz BIFFIEOCGJSJAA-FQEVSTJZSA-N 1 0 506.091 5.563 1 0 KKAFRO C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000028650177 561945946 /nfs/dbraw/zinc/94/59/46/561945946.db2.gz VPGHDTVGVDIOJE-RFJFUGTDSA-N 1 0 591.193 5.557 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[N@@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702737 561947188 /nfs/dbraw/zinc/94/71/88/561947188.db2.gz KOQXGZHDIQDDAK-VSBMSIFKSA-N 1 0 650.689 7.236 1 0 KKAFRO CC(C)C(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702797 561947347 /nfs/dbraw/zinc/94/73/47/561947347.db2.gz KJIGJEKEYRGJIH-VWLOTQADSA-N 1 0 640.694 7.445 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702908 561947472 /nfs/dbraw/zinc/94/74/72/561947472.db2.gz AAMCCXZHVCUGJS-POGNPZRZSA-N 1 0 727.775 7.854 1 0 KKAFRO CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704014 561948120 /nfs/dbraw/zinc/94/81/20/561948120.db2.gz KURSPQDVVXDVFX-DUBVAAOESA-N 1 0 592.668 8.232 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704048 561948148 /nfs/dbraw/zinc/94/81/48/561948148.db2.gz LMCGEWVHFZFMRY-JVRHDVHHSA-N 1 0 500.580 6.326 1 0 KKAFRO O=C1Cc2c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc2-c2ccc(OCCCC[NH+]3CCOCC3)cc2N1 ZINC000028704139 561948405 /nfs/dbraw/zinc/94/84/05/561948405.db2.gz SCCNLKYWLDDUCP-UHFFFAOYSA-N 1 0 554.090 6.722 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704244 561948549 /nfs/dbraw/zinc/94/85/49/561948549.db2.gz RSPHCRBPUSTDAH-HHHXNRCGSA-N 1 0 568.139 5.631 1 0 KKAFRO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704477 561948561 /nfs/dbraw/zinc/94/85/61/561948561.db2.gz ODLRYYFKCKZBFP-UHFFFAOYSA-N 1 0 523.612 5.011 1 0 KKAFRO O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1C1CCCCC1 ZINC000028704472 561948575 /nfs/dbraw/zinc/94/85/75/561948575.db2.gz KBQZRHPBPJPEKL-UHFFFAOYSA-N 1 0 515.633 5.143 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccc(N)nc5)cc4)CC3)C2=O)c1 ZINC000028704500 561948692 /nfs/dbraw/zinc/94/86/92/561948692.db2.gz FUZADFOVBMYWBQ-UHFFFAOYSA-N 1 0 565.649 5.482 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(CC)c2)c1 ZINC000028705171 561948951 /nfs/dbraw/zinc/94/89/51/561948951.db2.gz VTBHRQKJWZCVCL-AJQTZOPKSA-N 1 0 579.732 5.590 1 0 KKAFRO Cc1cc(Nc2ncnc3cnc(N4CC[NH+](C)CC4)cc32)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000028706430 561949755 /nfs/dbraw/zinc/94/97/55/561949755.db2.gz ZNIHSZIOJYSEMQ-UHFFFAOYSA-N 1 0 539.684 5.397 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(Cl)c(Cl)c4)n2C)CC3)no1 ZINC000028712475 561953034 /nfs/dbraw/zinc/95/30/34/561953034.db2.gz VVGHIMUWASPVQJ-UHFFFAOYSA-N 1 0 528.509 6.335 1 0 KKAFRO CCC[N@H+]1C[C@H]2C(Cl)=C(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)S[C@@H]2C1 ZINC000028713128 561953736 /nfs/dbraw/zinc/95/37/36/561953736.db2.gz PWXYVVOGSGGNIT-IEBWSBKVSA-N 1 0 510.874 6.092 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc(C(F)(F)F)c1 ZINC000028714012 561954406 /nfs/dbraw/zinc/95/44/06/561954406.db2.gz AAYLREDRSLTKMS-UHFFFAOYSA-N 1 0 534.026 5.147 1 0 KKAFRO C[NH+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028759323 561957603 /nfs/dbraw/zinc/95/76/03/561957603.db2.gz WLUJISQNPCWVHU-UHFFFAOYSA-N 1 0 531.500 6.931 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@](CCC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764894 561959283 /nfs/dbraw/zinc/95/92/83/561959283.db2.gz MUZRICFSRACWJI-UMSFTDKQSA-N 1 0 561.597 7.928 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765176 561959415 /nfs/dbraw/zinc/95/94/15/561959415.db2.gz ADXFJIYJEFFOSY-XIFFEERXSA-N 1 0 591.583 6.814 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765218 561959534 /nfs/dbraw/zinc/95/95/34/561959534.db2.gz GLFJJJVLKJNYOY-XIFFEERXSA-N 1 0 577.596 7.457 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000028765293 561959567 /nfs/dbraw/zinc/95/95/67/561959567.db2.gz NCJWLSWXMPGOIS-XIFFEERXSA-N 1 0 577.596 7.570 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816238 561964118 /nfs/dbraw/zinc/96/41/18/561964118.db2.gz VIBSDCROEKUITE-NDOUMJCMSA-N 1 0 666.906 9.604 1 0 KKAFRO C[C@@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816501 561964208 /nfs/dbraw/zinc/96/42/08/561964208.db2.gz ZVFYYUNCJRTCOQ-RMXYQJDTSA-N 1 0 546.133 5.177 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816546 561964218 /nfs/dbraw/zinc/96/42/18/561964218.db2.gz GENDGMJZVTUESB-IAPPQJPRSA-N 1 0 596.140 5.990 1 0 KKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)cn2C(c1ccccc1)c1ccccc1 ZINC000028816592 561964335 /nfs/dbraw/zinc/96/43/35/561964335.db2.gz YFRNVUNLSLVHKS-COWCTEFNSA-N 1 0 604.863 9.476 1 0 KKAFRO CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC[n+]1cn(C(c2ccccc2)c2ccccc2)c2[nH]cnc(=NOCc3ccccc3)c21 ZINC000028816594 561964338 /nfs/dbraw/zinc/96/43/38/561964338.db2.gz HZLXRPZJRQGKNF-DATCRCJDSA-N 1 0 680.961 11.046 1 0 KKAFRO O=C(CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)NCc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1 ZINC000028817790 561965020 /nfs/dbraw/zinc/96/50/20/561965020.db2.gz GIYGBDWUUSEAGG-UHFFFAOYSA-N 1 0 659.771 5.897 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc4n[nH]nc4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823040 561967724 /nfs/dbraw/zinc/96/77/24/561967724.db2.gz UJMDOABXIASWGO-JOCHJYFZSA-N 1 0 632.706 6.791 1 0 KKAFRO CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2C2CC[NH+](C)CC2)cc1 ZINC000028823389 561967937 /nfs/dbraw/zinc/96/79/37/561967937.db2.gz SDJYNDYELPNANW-UHFFFAOYSA-N 1 0 531.745 6.784 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)CCc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824094 561968810 /nfs/dbraw/zinc/96/88/10/561968810.db2.gz MJRCRJIOYBSLBM-HHMOXRITSA-N 1 0 587.208 5.828 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2CN(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824071 561968830 /nfs/dbraw/zinc/96/88/30/561968830.db2.gz RHQSREKDRUDXIA-JBOQNHBVSA-N 1 0 599.141 6.974 1 0 KKAFRO C[C@@H]([NH2+]CCCCCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824129 561969043 /nfs/dbraw/zinc/96/90/43/561969043.db2.gz QTZHZSUFNWXXCM-HSZRJFAPSA-N 1 0 548.131 6.627 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824377 561969525 /nfs/dbraw/zinc/96/95/25/561969525.db2.gz UUGWWDUNCOPXGB-XMMPIXPASA-N 1 0 600.682 6.068 1 0 KKAFRO C[C@@H](N[C@@H](c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824390 561969546 /nfs/dbraw/zinc/96/95/46/561969546.db2.gz PAWUWEMCXDNURH-ROEPYBMUSA-N 1 0 623.648 5.781 1 0 KKAFRO CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028824335 561969559 /nfs/dbraw/zinc/96/95/59/561969559.db2.gz DVDJTKAAWNNKPM-RSXGOPAZSA-N 1 0 585.498 5.550 1 0 KKAFRO CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CC[NH+](CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826515 561971380 /nfs/dbraw/zinc/97/13/80/561971380.db2.gz GGZLXDQZCPDNHC-UHFFFAOYSA-N 1 0 609.211 5.350 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000028827095 561971524 /nfs/dbraw/zinc/97/15/24/561971524.db2.gz XGCIBUPOYFXPRN-UHFFFAOYSA-N 1 0 512.551 6.241 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028827223 561971607 /nfs/dbraw/zinc/97/16/07/561971607.db2.gz RJVZGMCJGORCKU-IZZNHLLZSA-N 1 0 550.165 5.281 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)OC2([C@@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879666 561976396 /nfs/dbraw/zinc/97/63/96/561976396.db2.gz QRUVSTZLYGAOFS-UIOOFZCWSA-N 1 0 582.113 5.598 1 0 KKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863199 561972130 /nfs/dbraw/zinc/97/21/30/561972130.db2.gz FEFXOLXSIYRZIN-IKLWKBBJSA-N 1 0 509.646 6.547 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869412 561973738 /nfs/dbraw/zinc/97/37/38/561973738.db2.gz CTDHLROQTKJDLK-MHZLTWQESA-N 1 0 544.548 6.138 1 0 KKAFRO COc1ccccc1N(C(=O)c1ccccc1)C1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869978 561973994 /nfs/dbraw/zinc/97/39/94/561973994.db2.gz YJRKUTHRZOUCHT-UHFFFAOYSA-N 1 0 535.688 6.170 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000028870612 561974109 /nfs/dbraw/zinc/97/41/09/561974109.db2.gz FAURKORJKUNELM-JHOUSYSJSA-N 1 0 601.755 5.625 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)C(=O)NC(C)C)CC2)cc1 ZINC000028874254 561975102 /nfs/dbraw/zinc/97/51/02/561975102.db2.gz MAHMKZKKHGTOCN-UHFFFAOYSA-N 1 0 501.690 7.023 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(CCN(Cc3ccc(-c4ccc(F)cc4)cc3)C(=O)NC(C)(C)CO)CC2)cc1 ZINC000028874485 561975219 /nfs/dbraw/zinc/97/52/19/561975219.db2.gz XCAISSNIXFHMLH-UHFFFAOYSA-N 1 0 531.716 6.386 1 0 KKAFRO CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000028874420 561975222 /nfs/dbraw/zinc/97/52/22/561975222.db2.gz STDVLBNQKXFBHQ-UHFFFAOYSA-N 1 0 657.852 6.760 1 0 KKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825192 561970506 /nfs/dbraw/zinc/97/05/06/561970506.db2.gz FHBFYBOSRIQZHG-SSEXGKCCSA-N 1 0 618.888 6.470 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887221 561977791 /nfs/dbraw/zinc/97/77/91/561977791.db2.gz LFEZDWBBQLHEMC-QHCPKHFHSA-N 1 0 565.589 7.949 1 0 KKAFRO CCC[C@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887353 561977800 /nfs/dbraw/zinc/97/78/00/561977800.db2.gz SZYIAWSXNYQHLF-GDLZYMKVSA-N 1 0 595.615 8.175 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 ZINC000028887496 561977953 /nfs/dbraw/zinc/97/79/53/561977953.db2.gz GXKJZUWSVBTRHO-NRFANRHFSA-N 1 0 515.529 6.796 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cccc(OCCCCC[NH+]3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000028892312 561978283 /nfs/dbraw/zinc/97/82/83/561978283.db2.gz MLYRZMZPCCPFGX-HHHXNRCGSA-N 1 0 567.774 7.256 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccc(OCCC[NH+]3CCCC3)cc2[nH]c1-c1ccccc1 ZINC000028892292 561978302 /nfs/dbraw/zinc/97/83/02/561978302.db2.gz NANWLMQFBRPPCQ-XMMPIXPASA-N 1 0 525.693 6.085 1 0 KKAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000028895512 561979036 /nfs/dbraw/zinc/97/90/36/561979036.db2.gz DMOCNKLRPVVFNF-NDEPHWFRSA-N 1 0 574.574 5.465 1 0 KKAFRO CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](C)c3ccco3)sc21 ZINC000028901683 561980051 /nfs/dbraw/zinc/98/00/51/561980051.db2.gz UNYJGAONQYGWJT-SFHVURJKSA-N 1 0 512.075 5.885 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CCN(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957138 561983200 /nfs/dbraw/zinc/98/32/00/561983200.db2.gz LMXSTCBEJZYBKI-JTSKRJEESA-N 1 0 515.542 6.423 1 0 KKAFRO CN(C)c1ccc(C2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000028957818 561983452 /nfs/dbraw/zinc/98/34/52/561983452.db2.gz YPXHFKKWHZNHQN-ONNFQVAWSA-N 1 0 500.514 6.191 1 0 KKAFRO O=C(CCc1ccccc1)N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038665 561989081 /nfs/dbraw/zinc/98/90/81/561989081.db2.gz WLZVXPFXXASTLW-MUUNZHRXSA-N 1 0 510.707 5.397 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc(-c5ccccc5)cc4)C3)cc2s1)C1CCCC1 ZINC000028967742 561985334 /nfs/dbraw/zinc/98/53/34/561985334.db2.gz MSWJDHFLZNZLJE-SXOMAYOGSA-N 1 0 552.744 7.379 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967556 561985377 /nfs/dbraw/zinc/98/53/77/561985377.db2.gz LDZJYSFVYNCVIH-SANMLTNESA-N 1 0 526.706 6.363 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)[NH3+])c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973028 561986096 /nfs/dbraw/zinc/98/60/96/561986096.db2.gz IYLHYGYMFPEIIC-WJOKGBTCSA-N 1 0 591.716 5.034 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(Cc3ccco3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986545 /nfs/dbraw/zinc/98/65/45/561986545.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 1 0 567.731 5.353 1 0 KKAFRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976253 561986777 /nfs/dbraw/zinc/98/67/77/561986777.db2.gz ORFHNVHFZNOITK-SSEXGKCCSA-N 1 0 550.684 6.257 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]CCc3ccccc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976306 561986900 /nfs/dbraw/zinc/98/69/00/561986900.db2.gz VCMASJJHEZFVSU-PMERELPUSA-N 1 0 534.685 5.926 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c(OC)c1 ZINC000028977876 561987488 /nfs/dbraw/zinc/98/74/88/561987488.db2.gz ROMYLFSTEDMJGG-PMERELPUSA-N 1 0 605.743 5.229 1 0 KKAFRO COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028977998 561987597 /nfs/dbraw/zinc/98/75/97/561987597.db2.gz QEEMISQABWDGFJ-LJAQVGFWSA-N 1 0 550.707 5.129 1 0 KKAFRO Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc(F)ccc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029037303 561988481 /nfs/dbraw/zinc/98/84/81/561988481.db2.gz ZITKIWQPLLVEKI-UHFFFAOYSA-N 1 0 529.623 6.336 1 0 KKAFRO CC(C)CC[N@@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038674 561989190 /nfs/dbraw/zinc/98/91/90/561989190.db2.gz IJWOVXYTICBRTE-QFZWGZQFSA-N 1 0 550.545 5.051 1 0 KKAFRO O=C(N[C@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21)c1ccc(F)cc1 ZINC000029038752 561989282 /nfs/dbraw/zinc/98/92/82/561989282.db2.gz PHCUGENQVJPTLC-SANMLTNESA-N 1 0 500.643 5.217 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039326 561989738 /nfs/dbraw/zinc/98/97/38/561989738.db2.gz DIPQOIDSXYFTQU-HJOGWXRNSA-N 1 0 524.027 5.484 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039362 561989756 /nfs/dbraw/zinc/98/97/56/561989756.db2.gz NYFOXVNEJKBGCT-OGXMWTIWSA-N 1 0 623.160 5.940 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039334 561989762 /nfs/dbraw/zinc/98/97/62/561989762.db2.gz YTRYSMIXUHQRLS-KCHLEUMXSA-N 1 0 623.160 5.593 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040086 561990418 /nfs/dbraw/zinc/99/04/18/561990418.db2.gz UWBHMEUINMIHQE-XRQHJSPUSA-N 1 0 564.614 7.453 1 0 KKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000029040891 561990757 /nfs/dbraw/zinc/99/07/57/561990757.db2.gz OYJCCUUCPLNDIZ-UHFFFAOYSA-N 1 0 504.678 6.532 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3ncccn3)CC2)C1 ZINC000029041086 561990942 /nfs/dbraw/zinc/99/09/42/561990942.db2.gz LOJLFMATTJZYHD-RDGATRHJSA-N 1 0 542.568 6.205 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3ccnnc3)CC2)C1 ZINC000029041173 561991083 /nfs/dbraw/zinc/99/10/83/561991083.db2.gz HHNXZGIONPCERL-NOZRDPDXSA-N 1 0 542.568 6.205 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000029043000 561991758 /nfs/dbraw/zinc/99/17/58/561991758.db2.gz PNFDTYPRKXTXAO-NHKHRBQYSA-N 1 0 592.146 7.166 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029044837 561992292 /nfs/dbraw/zinc/99/22/92/561992292.db2.gz NSPIJDJLOBXXMH-RUIMDTIESA-N 1 0 619.615 5.339 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044503 561992318 /nfs/dbraw/zinc/99/23/18/561992318.db2.gz RDFVOCUYZVRXEC-HZUSZJHFSA-N 1 0 568.640 5.036 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000029045121 561992391 /nfs/dbraw/zinc/99/23/91/561992391.db2.gz JGGIBNPWDXNMML-UNKLTOPLSA-N 1 0 544.498 6.106 1 0 KKAFRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046400 561992857 /nfs/dbraw/zinc/99/28/57/561992857.db2.gz FHKUWBFPCLSVBF-UMSFTDKQSA-N 1 0 612.681 5.679 1 0 KKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000029048869 561993773 /nfs/dbraw/zinc/99/37/73/561993773.db2.gz XWANAAQNGSFIMZ-ONUIUJJFSA-N 1 0 520.555 6.158 1 0 KKAFRO O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(F)cc1 ZINC000029038627 561989097 /nfs/dbraw/zinc/98/90/97/561989097.db2.gz ZBUMCITULAAXBQ-AREMUKBSSA-N 1 0 500.643 5.217 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cocn4)c3=O)CC2)C(C)C)c1 ZINC000029061978 561995891 /nfs/dbraw/zinc/99/58/91/561995891.db2.gz TUJJXSMSKFHTFP-MUUNZHRXSA-N 1 0 518.658 5.287 1 0 KKAFRO C[C@H]([NH3+])C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125401 561997452 /nfs/dbraw/zinc/99/74/52/561997452.db2.gz ASQPNMCVHWLECS-HNNXBMFYSA-N 1 0 530.839 5.460 1 0 KKAFRO [NH3+]C1(C(=O)NCCOc2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000029125484 561997582 /nfs/dbraw/zinc/99/75/82/561997582.db2.gz CWORPHHUFUMQPV-UHFFFAOYSA-N 1 0 542.850 5.604 1 0 KKAFRO O=C(NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)[C@@H]1CCC[NH2+]1 ZINC000029125573 561997837 /nfs/dbraw/zinc/99/78/37/561997837.db2.gz NXQSPQDDZFXLND-DEOSSOPVSA-N 1 0 556.877 5.865 1 0 KKAFRO O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000029125680 561997952 /nfs/dbraw/zinc/99/79/52/561997952.db2.gz DCUGLDJCNYGNBB-UHFFFAOYSA-N 1 0 511.087 5.144 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(C)(C)C)oc5cc4CC3)n2C)n1 ZINC000029127367 561999886 /nfs/dbraw/zinc/99/98/86/561999886.db2.gz IOJIPFCHEXMFMJ-UHFFFAOYSA-N 1 0 540.737 6.360 1 0 KKAFRO [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@@H](c1c[nH]c2ccccc21)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F ZINC000029127846 562000313 /nfs/dbraw/zinc/00/03/13/562000313.db2.gz YZRDPNPPJTVMET-HHHXNRCGSA-N 1 0 701.385 7.558 1 0 KKAFRO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@H]2CCC[N@@H+]2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029130020 562002282 /nfs/dbraw/zinc/00/22/82/562002282.db2.gz DHCDUDRKAXLPJS-YIXXDRMTSA-N 1 0 608.680 7.322 1 0 KKAFRO COc1ccc2[nH]c(C)c(C[NH2+][C@@H](CCCCCC(C)=O)C(=O)Nc3nc(-c4ccccc4)cs3)c2c1 ZINC000029133285 562003549 /nfs/dbraw/zinc/00/35/49/562003549.db2.gz BSAUJKOGNGJSIC-SANMLTNESA-N 1 0 518.683 6.245 1 0 KKAFRO CN(CCC[N@H+](C)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000029205333 562005079 /nfs/dbraw/zinc/00/50/79/562005079.db2.gz YGTRQVAACOTRKH-UHFFFAOYSA-N 1 0 660.821 6.568 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000029222860 562007469 /nfs/dbraw/zinc/00/74/69/562007469.db2.gz CMXGMUBAOOUNAI-NDEPHWFRSA-N 1 0 639.656 5.288 1 0 KKAFRO CCOc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328211 562013592 /nfs/dbraw/zinc/01/35/92/562013592.db2.gz IXHHUENDPWGBBM-DEOSSOPVSA-N 1 0 532.493 6.229 1 0 KKAFRO COc1ccc([C@H]2C(C(=O)OCC[NH+](C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329245 562013636 /nfs/dbraw/zinc/01/36/36/562013636.db2.gz XNDRHSZPAQLJFC-QHCPKHFHSA-N 1 0 518.466 5.839 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330483 562013828 /nfs/dbraw/zinc/01/38/28/562013828.db2.gz WVXGQIOPZMEAOO-SXOMAYOGSA-N 1 0 523.489 5.777 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330478 562013832 /nfs/dbraw/zinc/01/38/32/562013832.db2.gz WVXGQIOPZMEAOO-SVBPBHIXSA-N 1 0 523.489 5.777 1 0 KKAFRO COc1cccc([C@@H]2C(C(=O)OCC[NH+](C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340467 562015115 /nfs/dbraw/zinc/01/51/15/562015115.db2.gz NMNYYJCTQPXJPZ-HSZRJFAPSA-N 1 0 518.466 5.839 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345912 562016243 /nfs/dbraw/zinc/01/62/43/562016243.db2.gz BHGNIOZAEHGIME-GWBOUZQDSA-N 1 0 700.969 5.158 1 0 KKAFRO C[N@H+](C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347144 562016464 /nfs/dbraw/zinc/01/64/64/562016464.db2.gz AQSULLWEJRPAKF-JWPIOKHMSA-N 1 0 697.965 6.187 1 0 KKAFRO [NH2+]=C(NCCCc1ccccc1)NCCC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000029348033 562016589 /nfs/dbraw/zinc/01/65/89/562016589.db2.gz KPFXBHZYPVJJDR-BHVANESWSA-N 1 0 615.822 5.883 1 0 KKAFRO NC(=[NH2+])c1cccc(Oc2ccc(Br)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029396514 562018772 /nfs/dbraw/zinc/01/87/72/562018772.db2.gz QJPXTGLCOWMDIX-UHFFFAOYSA-N 1 0 565.449 5.092 1 0 KKAFRO CCOP(=O)(OCC)N1C(=O)[C@H](CCCCC(N)=[NH2+])[C@H]2c3ccc(-c4cccc(C(=O)N(CC)CC)c4)cc3C[C@@H]21 ZINC000029399526 562019515 /nfs/dbraw/zinc/01/95/15/562019515.db2.gz GNOYEZXDZMTHAR-IUAQSZDVSA-N 1 0 582.682 5.980 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[NH+]3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029403391 562020196 /nfs/dbraw/zinc/02/01/96/562020196.db2.gz OXPHGFUXQGFKRJ-MFACQUFMSA-N 1 0 655.619 5.728 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[NH+]3CCC4(CC3)OCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335304 562014195 /nfs/dbraw/zinc/01/41/95/562014195.db2.gz WBWQXNCVGFBFHI-PGUFJCEWSA-N 1 0 621.649 7.795 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029407106 562020964 /nfs/dbraw/zinc/02/09/64/562020964.db2.gz RSXMNAPNQCNNIM-UHFFFAOYSA-N 1 0 552.807 7.756 1 0 KKAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnnn3Cc3ccccc3)cc2)C1=O ZINC000029480081 562027122 /nfs/dbraw/zinc/02/71/22/562027122.db2.gz AUHKENXJRLJHNI-WJOKGBTCSA-N 1 0 599.739 5.147 1 0 KKAFRO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[N@H+](C)CCCCc3ccncc3)c2c1 ZINC000029412048 562021950 /nfs/dbraw/zinc/02/19/50/562021950.db2.gz NWMBZFJQNYWCNU-UHFFFAOYSA-N 1 0 510.726 6.826 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1cccc(Br)c1)c2OCC[C@@H]1CCCC[NH2+]1)NC1CC1 ZINC000029414593 562022636 /nfs/dbraw/zinc/02/26/36/562022636.db2.gz XHJQPYJPAAPTPG-KRWDZBQOSA-N 1 0 559.892 6.218 1 0 KKAFRO COCC[NH+](CCCc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1)CCOC ZINC000029462958 562023346 /nfs/dbraw/zinc/02/33/46/562023346.db2.gz CFVRXJPMTXGEQM-DEPSEAIFSA-N 1 0 717.948 5.034 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCCCC4)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029462409 562023464 /nfs/dbraw/zinc/02/34/64/562023464.db2.gz YGGPCJUEXZYUCM-UHFFFAOYSA-N 1 0 600.829 6.604 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCCCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465318 562024197 /nfs/dbraw/zinc/02/41/97/562024197.db2.gz FPPLFRBWLIXLFC-UHFFFAOYSA-N 1 0 550.791 7.292 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@H]3CCC(=O)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029466092 562024387 /nfs/dbraw/zinc/02/43/87/562024387.db2.gz HFXUYZQVCSUBMO-VNJAYTNWSA-N 1 0 610.639 7.200 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466634 562024460 /nfs/dbraw/zinc/02/44/60/562024460.db2.gz MRONPHMQIPIYRP-NTHYAODUSA-N 1 0 724.002 5.103 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029467356 562024736 /nfs/dbraw/zinc/02/47/36/562024736.db2.gz YILJSJKPTKZLAS-UHFFFAOYSA-N 1 0 562.802 7.433 1 0 KKAFRO CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029468436 562024967 /nfs/dbraw/zinc/02/49/67/562024967.db2.gz AEHVGXRWBYJEPN-UHFFFAOYSA-N 1 0 593.193 8.038 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029483519 562027861 /nfs/dbraw/zinc/02/78/61/562027861.db2.gz QKIXWDUWIQVUPK-ZPGRZCPFSA-N 1 0 626.886 5.911 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCOc1ccc(Cl)cc1)(C(=O)OCCOc1ccc(Cl)cc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029560152 562032990 /nfs/dbraw/zinc/03/29/90/562032990.db2.gz SBJACWQPYBPFEW-IPBJYNAHSA-N 1 0 731.025 6.613 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](CCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029489533 562029063 /nfs/dbraw/zinc/02/90/63/562029063.db2.gz YEOXHNNQFZRYKV-MHZLTWQESA-N 1 0 586.585 5.424 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCCCc1ccccc1)(C(=O)OCCCCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561000 562033215 /nfs/dbraw/zinc/03/32/15/562033215.db2.gz DJPBEORCLQYGKM-UYHPJTEGSA-N 1 0 686.245 7.194 1 0 KKAFRO C[NH+](C)CCCc1c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc32)[nH]c2c1CCCC2 ZINC000029554110 562031849 /nfs/dbraw/zinc/03/18/49/562031849.db2.gz QSIYXTWOIMVWPM-XLNRJJMWSA-N 1 0 539.101 5.335 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCc1ccccc1)(C(=O)OCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029556343 562032227 /nfs/dbraw/zinc/03/22/27/562032227.db2.gz WMZLOAORDSQZFM-BTYSJIOQSA-N 1 0 602.083 5.549 1 0 KKAFRO CCCCCCOC(=O)C1(C(=O)OCCCCCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029557906 562032418 /nfs/dbraw/zinc/03/24/18/562032418.db2.gz HCYJCCHZPFJEFY-KCWPFWIISA-N 1 0 590.157 6.309 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559042 562032650 /nfs/dbraw/zinc/03/26/50/562032650.db2.gz IKLCHMLRANLYKN-YTTGMZPUSA-N 1 0 578.731 5.824 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCCc1ccccc1)(C(=O)OCCCc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029559722 562032774 /nfs/dbraw/zinc/03/27/74/562032774.db2.gz BXAAYOQGDISHPT-SYBRLPANSA-N 1 0 658.191 6.414 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000029569164 562035161 /nfs/dbraw/zinc/03/51/61/562035161.db2.gz GFBRQRSYEDUWJZ-XIFFEERXSA-N 1 0 606.773 6.692 1 0 KKAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871333 562036619 /nfs/dbraw/zinc/03/66/19/562036619.db2.gz HKSABFMJANGSMM-CWTKIQHKSA-N 1 0 521.657 7.300 1 0 KKAFRO CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755079 562037636 /nfs/dbraw/zinc/03/76/36/562037636.db2.gz CEWVFZWVXADRCT-DHIUTWEWSA-N 1 0 513.788 8.197 1 0 KKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(OC(F)(F)F)cc1 ZINC000034026896 562038130 /nfs/dbraw/zinc/03/81/30/562038130.db2.gz CLSJINYGOBMXCX-UHFFFAOYSA-N 1 0 524.583 7.134 1 0 KKAFRO CC(C)C[C@H]1NC(=O)C2(CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O ZINC000034315725 562038693 /nfs/dbraw/zinc/03/86/93/562038693.db2.gz ZQTRWSUPLBZZJQ-GDLZYMKVSA-N 1 0 511.666 5.387 1 0 KKAFRO CC(C)(Cc1ccc(Cl)cc1Cl)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803941 562042788 /nfs/dbraw/zinc/04/27/88/562042788.db2.gz CVPHPXWFTJMIJZ-UKJJDJLKSA-N 1 0 599.562 7.790 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2ncn(Cc3cc(F)ccc3F)c2c(Br)c1 ZINC000034803957 562042838 /nfs/dbraw/zinc/04/28/38/562042838.db2.gz HEZXZGJJNMPIJM-UHFFFAOYSA-N 1 0 557.467 5.026 1 0 in-vitro KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000034804086 562042880 /nfs/dbraw/zinc/04/28/80/562042880.db2.gz MBBNKWIBPSNEBE-MHZLTWQESA-N 1 0 638.552 5.546 1 0 KKAFRO C[C@@H](O)[C@@H](CC[N@@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804359 562043220 /nfs/dbraw/zinc/04/32/20/562043220.db2.gz LRBSYXWKXPQNJU-TUGGSVRZSA-N 1 0 554.575 6.034 1 0 KKAFRO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1cccc(C(C)(C)C)c1 ZINC000034983916 562044194 /nfs/dbraw/zinc/04/41/94/562044194.db2.gz SCUGTCMSRMQNNQ-UHFFFAOYSA-N 1 0 506.532 7.211 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CC/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000035050550 562044566 /nfs/dbraw/zinc/04/45/66/562044566.db2.gz IRQMOHIVUZCEOX-ANUZZMICSA-N 1 0 519.085 5.183 1 0 KKAFRO CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633584 562039426 /nfs/dbraw/zinc/03/94/26/562039426.db2.gz XUOCXIUMLLARLH-NDEPHWFRSA-N 1 0 622.709 7.712 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(C)c2)cc1 ZINC000036107629 562047146 /nfs/dbraw/zinc/04/71/46/562047146.db2.gz JVEIHEXJFKDWES-DJHAPPKCSA-N 1 0 531.656 5.790 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000036107631 562047366 /nfs/dbraw/zinc/04/73/66/562047366.db2.gz YUSXAXXYSSHTFP-LJKHMRJBSA-N 1 0 577.681 5.499 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C[NH+]3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000036126779 562047596 /nfs/dbraw/zinc/04/75/96/562047596.db2.gz IZESNAMYASFBLR-UHFFFAOYSA-N 1 0 536.626 7.517 1 0 KKAFRO COC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=[NH2+])N(C)C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC000036126793 562047753 /nfs/dbraw/zinc/04/77/53/562047753.db2.gz YUEGLCQPVJBWJR-UHFFFAOYSA-N 1 0 572.021 5.705 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000036140646 562048036 /nfs/dbraw/zinc/04/80/36/562048036.db2.gz XLNGIGRIGVQMIN-UZAFBBDWSA-N 1 0 531.656 5.405 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCC(C)(C)CC5)C4)C3)s2)cc1 ZINC000036151860 562048349 /nfs/dbraw/zinc/04/83/49/562048349.db2.gz SNEDKHAEXHCVBN-FTJBHMTQSA-N 1 0 536.786 5.877 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160563 562048514 /nfs/dbraw/zinc/04/85/14/562048514.db2.gz JEOIMYUIHSWTEE-DITALETJSA-N 1 0 613.818 7.581 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160555 562048528 /nfs/dbraw/zinc/04/85/28/562048528.db2.gz JEOIMYUIHSWTEE-BZKUTMRRSA-N 1 0 613.818 7.581 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000036161697 562048912 /nfs/dbraw/zinc/04/89/12/562048912.db2.gz DDNUEGGLAHLSLQ-KKLWWLSJSA-N 1 0 581.782 6.429 1 0 KKAFRO O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000036161714 562048952 /nfs/dbraw/zinc/04/89/52/562048952.db2.gz IQPWKAIEQBOLPJ-ZWXJPIIXSA-N 1 0 583.754 5.875 1 0 KKAFRO COc1ccc(N([C@@H](C)c2ccccc2OCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036175712 562048986 /nfs/dbraw/zinc/04/89/86/562048986.db2.gz KMRSEMCAAVDGSK-QFIPXVFZSA-N 1 0 529.102 6.170 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175810 562049009 /nfs/dbraw/zinc/04/90/09/562049009.db2.gz ICWJYZMPWMDIDT-NRFANRHFSA-N 1 0 533.521 6.815 1 0 KKAFRO CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(C[NH2+][C@H](C)C(C)(C)C)[nH]4)s3)cc(C)c2C)CC1 ZINC000036184847 562050432 /nfs/dbraw/zinc/05/04/32/562050432.db2.gz QTCWXZNSCOYHQN-OAQYLSRUSA-N 1 0 610.850 5.461 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCC[C@H]2c2ccccc2)ccc1OC(C)C ZINC000035822164 562045514 /nfs/dbraw/zinc/04/55/14/562045514.db2.gz ICHSQGVMXMADMI-FIBWVYCGSA-N 1 0 524.665 6.520 1 0 KKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCC[N@H+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000035975231 562046040 /nfs/dbraw/zinc/04/60/40/562046040.db2.gz PURFDWJJUPRHOS-HHHXNRCGSA-N 1 0 521.545 7.865 1 0 KKAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@@H](C[NH2+]C2CCC2)CC2CCCCC2)CC1 ZINC000036284924 562053641 /nfs/dbraw/zinc/05/36/41/562053641.db2.gz QDOQJKGCPCRRMX-VOTWKOMSSA-N 1 0 620.282 5.420 1 0 KKAFRO CCCC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285584 562054223 /nfs/dbraw/zinc/05/42/23/562054223.db2.gz ADRDTTJUTJRJPA-QFIPXVFZSA-N 1 0 516.435 6.484 1 0 KKAFRO [NH3+]CCC(=O)N[C@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285442 562054269 /nfs/dbraw/zinc/05/42/69/562054269.db2.gz IHWUGEAQQMPWCB-MUUNZHRXSA-N 1 0 601.550 5.137 1 0 KKAFRO CC[C@@H](C)[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285635 562054293 /nfs/dbraw/zinc/05/42/93/562054293.db2.gz TUVLNWRHXNOMHI-WMQVBLFHSA-N 1 0 599.569 6.722 1 0 KKAFRO CC[C@@H](C)[C@H](NCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285601 562054309 /nfs/dbraw/zinc/05/43/09/562054309.db2.gz HXYRJQCIJOWCGS-DWXRJYCRSA-N 1 0 559.504 5.929 1 0 KKAFRO COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285737 562054340 /nfs/dbraw/zinc/05/43/40/562054340.db2.gz HQACQGVVMYJUAG-JPYJTQIMSA-N 1 0 526.043 5.941 1 0 KKAFRO COc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285734 562054350 /nfs/dbraw/zinc/05/43/50/562054350.db2.gz HQACQGVVMYJUAG-MBSDFSHPSA-N 1 0 526.043 5.941 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036285891 562054509 /nfs/dbraw/zinc/05/45/09/562054509.db2.gz SQEAQRQNAZSYNN-JPYJTQIMSA-N 1 0 524.027 5.962 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]CCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285808 562054542 /nfs/dbraw/zinc/05/45/42/562054542.db2.gz IFXWGARQBJZOGX-HEIROHQZSA-N 1 0 620.587 8.213 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2ncn(Cc3c(Cl)cccc3Cl)c2c(Br)c1 ZINC000036330276 562055478 /nfs/dbraw/zinc/05/54/78/562055478.db2.gz GVTLGCWKXNCALF-UHFFFAOYSA-N 1 0 590.377 6.054 1 0 KKAFRO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[NH2+]Cc3ccccc3)c2c1=O ZINC000036331628 562056713 /nfs/dbraw/zinc/05/67/13/562056713.db2.gz OIBUEABKOSYMBA-UHFFFAOYSA-N 1 0 568.695 6.262 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)cc1)c1ccccc1 ZINC000036338409 562056966 /nfs/dbraw/zinc/05/69/66/562056966.db2.gz UKXFQNNXQPKCRG-AHWVRZQESA-N 1 0 516.605 5.248 1 0 KKAFRO Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1 ZINC000036338819 562057289 /nfs/dbraw/zinc/05/72/89/562057289.db2.gz XXYYDISQRRATPH-UHFFFAOYSA-N 1 0 512.683 5.087 1 0 KKAFRO CCCC[N@@H+]1CC[C@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351499 562058461 /nfs/dbraw/zinc/05/84/61/562058461.db2.gz UTAPFVCSIYSFAD-UIOOFZCWSA-N 1 0 530.635 5.445 1 0 KKAFRO COc1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351515 562058555 /nfs/dbraw/zinc/05/85/55/562058555.db2.gz HJNSJDPMBGSSML-OROMBRFGSA-N 1 0 548.625 5.445 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C5CC5)c4)C[C@H]23)CC1 ZINC000036351599 562058667 /nfs/dbraw/zinc/05/86/67/562058667.db2.gz LYKBDAXLAVPDQQ-IWGZPIKUSA-N 1 0 568.137 5.419 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351605 562058723 /nfs/dbraw/zinc/05/87/23/562058723.db2.gz QRCYXSRRAQHRGX-VMPREFPWSA-N 1 0 594.678 5.815 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351630 562058835 /nfs/dbraw/zinc/05/88/35/562058835.db2.gz AHRSKMNTULOVHO-KYJUHHDHSA-N 1 0 528.672 5.056 1 0 KKAFRO CC(C)C[N@H+](C)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351689 562058949 /nfs/dbraw/zinc/05/89/49/562058949.db2.gz VPJWRIXCORVLEO-FTJBHMTQSA-N 1 0 530.635 5.301 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351675 562058962 /nfs/dbraw/zinc/05/89/62/562058962.db2.gz CYSAXXFGKMEENX-XIFFEERXSA-N 1 0 580.575 7.992 1 0 KKAFRO C[NH+]1CCN(Cc2cnc3c(cccc3Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)c2)CC1 ZINC000036351725 562059204 /nfs/dbraw/zinc/05/92/04/562059204.db2.gz VFDUOJZCECYJQM-UHFFFAOYSA-N 1 0 516.070 5.122 1 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000036388429 562060340 /nfs/dbraw/zinc/06/03/40/562060340.db2.gz OFSNSRZUEWQAFB-RXVVDRJESA-N 1 0 525.642 5.398 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@H]1c1cccc(F)c1 ZINC000038139172 562062501 /nfs/dbraw/zinc/06/25/01/562062501.db2.gz JPARDOGKZJZHGL-MHZLTWQESA-N 1 0 533.600 5.001 3 0 KKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc(Cl)cc1 ZINC000036474550 562060816 /nfs/dbraw/zinc/06/08/16/562060816.db2.gz PICZNVGMVOWDMN-ZIVUCNTMSA-N 1 0 500.082 7.471 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CC[NH+](C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000036758584 562061426 /nfs/dbraw/zinc/06/14/26/562061426.db2.gz YOVKYZJMWCAPJA-UHFFFAOYSA-N 1 0 656.784 6.216 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)n2)c(OC)c1 ZINC000036758573 562061489 /nfs/dbraw/zinc/06/14/89/562061489.db2.gz PELUCDAGCYAICS-UHFFFAOYSA-N 1 0 612.731 5.818 1 0 KKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000038141587 562063311 /nfs/dbraw/zinc/06/33/11/562063311.db2.gz RCSPFHBAQYBMER-URXFXBBRSA-N 1 0 541.644 6.460 3 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147765 562065556 /nfs/dbraw/zinc/06/55/56/562065556.db2.gz VXHFPPDFIQWUIM-IYMBJGSBSA-N 1 0 550.787 7.154 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)C[C@@H](C)c2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000038148485 562065768 /nfs/dbraw/zinc/06/57/68/562065768.db2.gz IGSKGZICNGWZMH-APYJYERMSA-N 1 0 564.748 6.764 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3n2)CC1 ZINC000038149728 562066109 /nfs/dbraw/zinc/06/61/09/562066109.db2.gz IPWYSBUTKATQSJ-UHFFFAOYSA-N 1 0 516.070 5.453 1 0 KKAFRO CC(C)CC[N@@H+]1[C@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150642 562066438 /nfs/dbraw/zinc/06/64/38/562066438.db2.gz KQBOOGKXOGILHG-UIUQJESISA-N 1 0 536.713 5.564 1 0 KKAFRO CC(C)CC[N@@H+]1[C@H](C)CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150640 562066469 /nfs/dbraw/zinc/06/64/69/562066469.db2.gz KQBOOGKXOGILHG-KEKPKEOLSA-N 1 0 536.713 5.564 1 0 KKAFRO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000038157238 562068611 /nfs/dbraw/zinc/06/86/11/562068611.db2.gz FJGKVFWXFGAENH-BWKNWUBXSA-N 1 0 559.585 5.799 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157514 562069293 /nfs/dbraw/zinc/06/92/93/562069293.db2.gz VLRKCLYSNVDLNZ-KCWXNJEJSA-N 1 0 572.768 5.052 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cc(F)cc(F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157896 562069788 /nfs/dbraw/zinc/06/97/88/562069788.db2.gz NUSNPTQIBDKHCJ-UHFFFAOYSA-N 1 0 542.045 6.886 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157900 562069798 /nfs/dbraw/zinc/06/97/98/562069798.db2.gz JSFSSLGRLOSSKW-UHFFFAOYSA-N 1 0 540.510 7.262 1 0 KKAFRO COc1cccc(Cn2c3ccccc3nc2NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)c1 ZINC000038257674 562070757 /nfs/dbraw/zinc/07/07/57/562070757.db2.gz ATLHSMTXMSHZHW-UHFFFAOYSA-N 1 0 511.670 5.733 1 0 KKAFRO O=c1cc(NCC2(C[NH2+]Cc3cn(Cc4ccccc4)c4ccccc34)CCCCC2)[nH]c2ccccc12 ZINC000038474488 562072009 /nfs/dbraw/zinc/07/20/09/562072009.db2.gz JKDUMIRJUCTRKZ-UHFFFAOYSA-N 1 0 504.678 6.683 1 0 KKAFRO O=C(O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380299 562073450 /nfs/dbraw/zinc/07/34/50/562073450.db2.gz IADMULLWDVKTFY-AVWDPNAHSA-N 1 0 529.684 6.351 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2ccccc2F)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040394445 562074180 /nfs/dbraw/zinc/07/41/80/562074180.db2.gz TZOXLDGQHYFMCA-AREMUKBSSA-N 1 0 505.472 5.253 1 0 KKAFRO C[NH+](C)C[C@@H](Cc1ccc(Cl)cc1)N(C(=O)c1cccc2ccccc21)C1CCC2(CC1)OCCO2 ZINC000040395254 562074360 /nfs/dbraw/zinc/07/43/60/562074360.db2.gz JPHDHYXYIFJMAG-AREMUKBSSA-N 1 0 507.074 5.794 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040409666 562075222 /nfs/dbraw/zinc/07/52/22/562075222.db2.gz FSYXVLMRBONNFA-ZRZAMGCNSA-N 1 0 513.657 5.410 1 0 KKAFRO Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(C[N@@H+](C)C5CCCCC5)ccc4n3CC(C)(C)O)s2)o1 ZINC000040431175 562076850 /nfs/dbraw/zinc/07/68/50/562076850.db2.gz VZWIFOMPMPZKRT-UHFFFAOYSA-N 1 0 521.687 5.849 1 0 KKAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430778 562076869 /nfs/dbraw/zinc/07/68/69/562076869.db2.gz WOMWTCFFKLQKJG-NRFANRHFSA-N 1 0 512.054 5.124 1 0 KKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C(C)C)CC1 ZINC000040565935 562077994 /nfs/dbraw/zinc/07/79/94/562077994.db2.gz UXRQRZIFXJASNI-UHFFFAOYSA-N 1 0 503.470 6.179 1 0 KKAFRO O=C1[C@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(OC(F)(F)F)c(OCC[NH+]2CCCCC2)c1 ZINC000040567239 562078004 /nfs/dbraw/zinc/07/80/04/562078004.db2.gz OEQCBZMNIVNUIK-SFHVURJKSA-N 1 0 517.375 6.277 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC[NH+]5CCCC5)CC4)cc2)CC3)cc1 ZINC000040847828 562080428 /nfs/dbraw/zinc/08/04/28/562080428.db2.gz CIPQQFWBKZYARZ-UHFFFAOYSA-N 1 0 524.587 5.620 1 0 KKAFRO COc1cc2c(cc1OC)[C@@H](c1ccccc1NCCOc1ccccc1)[N@H+](CCOc1ccccc1)CC2 ZINC000040894608 562082980 /nfs/dbraw/zinc/08/29/80/562082980.db2.gz YVKMEOMVEXNHNK-MGBGTMOVSA-N 1 0 524.661 6.221 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@@H](C[C@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040897027 562083172 /nfs/dbraw/zinc/08/31/72/562083172.db2.gz VEPNEHUJRMVZLF-SVEHJYQDSA-N 1 0 501.715 5.668 1 0 KKAFRO O=C1N(CC[NH2+]CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000042805488 562089214 /nfs/dbraw/zinc/08/92/14/562089214.db2.gz AQGQQVZAISJFLE-UHFFFAOYSA-N 1 0 605.654 7.394 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2C2CC2)C1 ZINC000040954207 562086382 /nfs/dbraw/zinc/08/63/82/562086382.db2.gz UREWEIQWMRXCFY-GBAAUQCPSA-N 1 0 520.558 5.940 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2C2CC2)C1 ZINC000040954210 562086439 /nfs/dbraw/zinc/08/64/39/562086439.db2.gz UREWEIQWMRXCFY-VCHRRKICSA-N 1 0 520.558 5.940 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040979400 562087357 /nfs/dbraw/zinc/08/73/57/562087357.db2.gz HUDCDZLLNLJTEW-MHZLTWQESA-N 1 0 527.669 5.259 1 0 KKAFRO CC[C@@H](C)[C@H]1C(=O)Nc2ccc(NCCC[NH+](C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 ZINC000042804190 562088615 /nfs/dbraw/zinc/08/86/15/562088615.db2.gz FNLDJFVOPARNLY-OLILMLBXSA-N 1 0 606.693 6.555 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 ZINC000042807392 562090221 /nfs/dbraw/zinc/09/02/21/562090221.db2.gz GNURRCJPQXKFTN-HNRBIFIRSA-N 1 0 568.806 6.631 1 0 KKAFRO CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(C)=O)C2(Cc3ccc(O)c(OC)c3)CC[NH2+]CC2)CCCC1 ZINC000085596846 560063264 /nfs/dbraw/zinc/06/32/64/560063264.db2.gz ODLOFFAYMJRITC-SXOMAYOGSA-N 1 0 503.680 5.317 1 0 biogenic,in-vitro KKAFRO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(O)cc32)cc1Oc1ccc(C(=O)C2=NCCc3cc(OC)c(O)cc32)cc1 ZINC000085646381 560067016 /nfs/dbraw/zinc/06/70/16/560067016.db2.gz HJKAMHCROYZVKL-HHHXNRCGSA-N 1 0 594.664 5.574 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+]CC2CCCC2)cc1O ZINC000085568471 560070276 /nfs/dbraw/zinc/07/02/76/560070276.db2.gz AZGRJNKBZYMHSN-IPZQJPLYSA-N 1 0 573.686 5.941 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@@H]5C=CC[C@@H](C6CCCC6)C5)[N@H+]4C3)[C@H]2[C@@H]1C ZINC000085532397 560072891 /nfs/dbraw/zinc/07/28/91/560072891.db2.gz KVFYGQYKYSDTHU-FQXSKLSCSA-N 1 0 533.709 5.768 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532243 560073003 /nfs/dbraw/zinc/07/30/03/560073003.db2.gz BPZAHPOKOLMCOI-HVOKOLJKSA-N 1 0 507.671 5.354 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)[N@H+]31 ZINC000085511844 560073756 /nfs/dbraw/zinc/07/37/56/560073756.db2.gz JEJLGHMYBHWNKG-DKINLHKDSA-N 1 0 521.654 5.629 1 0 biogenic,in-vitro KKAFRO C[C@H](NC(=O)c1ccc([C@H](C)[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043080633 562645842 /nfs/dbraw/zinc/64/58/42/562645842.db2.gz QGAXFYZQEFFPKG-SFTDATJTSA-N 1 0 550.497 5.548 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC(c2ccccc2O)CC1 ZINC000043123623 562646263 /nfs/dbraw/zinc/64/62/63/562646263.db2.gz OXKPYWCKPYZUOE-UHFFFAOYSA-N 1 0 526.603 5.755 1 0 KKAFRO CCc1c(C(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000043196435 562646757 /nfs/dbraw/zinc/64/67/57/562646757.db2.gz STWYWUGMZLRNAY-UHFFFAOYSA-N 1 0 612.605 8.458 1 0 KKAFRO CC(=O)NCCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000043203311 562646937 /nfs/dbraw/zinc/64/69/37/562646937.db2.gz QDWSBBOTCRPBCJ-LJAQVGFWSA-N 1 0 605.606 7.699 1 0 KKAFRO O=C(c1ccccc1)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000043409250 562648260 /nfs/dbraw/zinc/64/82/60/562648260.db2.gz IFPJMRDNXYCDKH-UHFFFAOYSA-N 1 0 541.638 6.613 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3cccc(Cl)c3)cc2)n1 ZINC000043524224 562648917 /nfs/dbraw/zinc/64/89/17/562648917.db2.gz KLDNWEHWZPDGQL-MHZLTWQESA-N 1 0 577.081 5.542 1 0 KKAFRO [NH3+]Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000043531875 562649188 /nfs/dbraw/zinc/64/91/88/562649188.db2.gz ZBYIIHICCOWNLU-NOCHOARKSA-N 1 0 600.763 5.491 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000043531990 562649241 /nfs/dbraw/zinc/64/92/41/562649241.db2.gz CUNHNEOCSUHSFO-MHZLTWQESA-N 1 0 611.526 6.195 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)cc3)cc2)n1 ZINC000043543813 562649455 /nfs/dbraw/zinc/64/94/55/562649455.db2.gz MUMKNKHFNSSKED-MHZLTWQESA-N 1 0 577.081 5.542 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccccc4)c3Cl)c2n1 ZINC000044052740 562651856 /nfs/dbraw/zinc/65/18/56/562651856.db2.gz JBYLGDAZPRPUNQ-UHFFFAOYSA-N 1 0 629.610 5.782 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087062 562652293 /nfs/dbraw/zinc/65/22/93/562652293.db2.gz ZIDJCKAKCGREPA-UASRBLEQSA-N 1 0 608.151 5.988 1 0 KKAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000044281110 562652997 /nfs/dbraw/zinc/65/29/97/562652997.db2.gz BKWNRLGMNHZAMD-UMJMCJBLSA-N 1 0 582.144 5.952 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044306788 562653839 /nfs/dbraw/zinc/65/38/39/562653839.db2.gz MHUJDBRPTZFLGV-LMSSTIIKSA-N 1 0 592.662 5.368 1 0 KKAFRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc32)ncn1 ZINC000044351243 562654514 /nfs/dbraw/zinc/65/45/14/562654514.db2.gz XVWRWBMMOYPTHB-KRWDZBQOSA-N 1 0 568.604 5.091 1 0 KKAFRO O=C(C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000044351540 562654744 /nfs/dbraw/zinc/65/47/44/562654744.db2.gz DWJFVZZMQAIRPN-FHPVIJFVSA-N 1 0 580.794 6.967 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@H](C)[N@H+]3CC(C)C)ncn2)s1 ZINC000044352525 562655196 /nfs/dbraw/zinc/65/51/96/562655196.db2.gz QSMKDSHSYVNTOC-SBUREZEXSA-N 1 0 612.678 6.970 1 0 KKAFRO COc1ccc(COc2ccc(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)CCc4nnc(C)n4-5)CC3)cc2OC)cc1OC ZINC000044360777 562655635 /nfs/dbraw/zinc/65/56/35/562655635.db2.gz NSMQHRBZWZFCOR-UHFFFAOYSA-N 1 0 597.716 5.130 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044387963 562656242 /nfs/dbraw/zinc/65/62/42/562656242.db2.gz ZAOPQQSGRPEDAY-KMRXNPHXSA-N 1 0 544.567 6.285 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCCCC2)c1 ZINC000044417296 562657104 /nfs/dbraw/zinc/65/71/04/562657104.db2.gz DXNLUJUPWGNZAA-UHFFFAOYSA-N 1 0 553.494 6.160 1 0 KKAFRO CC(C)[C@H]1C(=O)Nc2ccc(NCC[NH+]3CCCCC3)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 ZINC000044430682 562657583 /nfs/dbraw/zinc/65/75/83/562657583.db2.gz ZFTADCMVGYHBIM-XIFFEERXSA-N 1 0 623.777 5.852 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)cs1 ZINC000044430703 562657659 /nfs/dbraw/zinc/65/76/59/562657659.db2.gz NXPQOKLTKBGJEH-UHFFFAOYSA-N 1 0 603.166 6.669 1 0 KKAFRO COc1cccc(C2CC[NH+](CCN3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1 ZINC000045167135 562658006 /nfs/dbraw/zinc/65/80/06/562658006.db2.gz IDINOJQYORVIHD-UHFFFAOYSA-N 1 0 532.128 6.089 1 0 KKAFRO Cc1ccc(Cn2cnc(N3C[C@@H](C)[NH2+][C@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168812 562658169 /nfs/dbraw/zinc/65/81/69/562658169.db2.gz GZARTMHTCAZNIG-DHIUTWEWSA-N 1 0 522.653 5.098 1 0 KKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168552 562658176 /nfs/dbraw/zinc/65/81/76/562658176.db2.gz HFFFPBHPXGOZNK-FQEVSTJZSA-N 1 0 500.630 6.983 1 0 KKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)CC1 ZINC000045187372 562658261 /nfs/dbraw/zinc/65/82/61/562658261.db2.gz MFUXBWSXIQIHHL-UHFFFAOYSA-N 1 0 510.600 7.194 1 0 KKAFRO c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)oc1C[NH2+]CCN1CCOCC1 ZINC000045191151 562658484 /nfs/dbraw/zinc/65/84/84/562658484.db2.gz LBTUEHMXNFJWHL-UHFFFAOYSA-N 1 0 520.633 6.453 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CCOc1ccc2c(c1)N(C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)CC2 ZINC000045194418 562658800 /nfs/dbraw/zinc/65/88/00/562658800.db2.gz JEKVQPPGDATBBV-IBGZPJMESA-N 1 0 512.370 5.926 1 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000045194266 562658803 /nfs/dbraw/zinc/65/88/03/562658803.db2.gz QVFBRZNXSZJTBZ-UHFFFAOYSA-N 1 0 520.743 5.199 1 0 KKAFRO Cc1cccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000045195053 562658895 /nfs/dbraw/zinc/65/88/95/562658895.db2.gz ONJYXOAUDPLVDH-PKNBQFBNSA-N 1 0 517.501 5.888 1 0 KKAFRO CCCCCc1ccc(NC(=O)Nc2ccc(Cn3ncc(N4CCC[NH2+]CC4)c(Cl)c3=O)cc2)cc1 ZINC000045202143 562659087 /nfs/dbraw/zinc/65/90/87/562659087.db2.gz KRAIYAGIWJWOJL-UHFFFAOYSA-N 1 0 523.081 5.121 1 0 KKAFRO Cc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000045202125 562659113 /nfs/dbraw/zinc/65/91/13/562659113.db2.gz KXFVRAGJTUTYSV-IZZDOVSWSA-N 1 0 524.536 7.351 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000045202478 562659164 /nfs/dbraw/zinc/65/91/64/562659164.db2.gz WFNFMOWNXHUUAF-BNCSFYMNSA-N 1 0 506.449 5.783 1 0 KKAFRO O=C(Nc1ccccc1OC(F)(F)F)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202921 562659234 /nfs/dbraw/zinc/65/92/34/562659234.db2.gz SYDBVLRZRGKWFS-UHFFFAOYSA-N 1 0 514.592 6.626 1 0 KKAFRO O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202726 562659268 /nfs/dbraw/zinc/65/92/68/562659268.db2.gz NSQVTZMDHHVPBP-QFIPXVFZSA-N 1 0 503.021 5.207 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3cc(-c4ccc(Cl)cc4)oc3C)CC2)ccc2c1CCCC2 ZINC000045227210 562659346 /nfs/dbraw/zinc/65/93/46/562659346.db2.gz WWIJPWKNMKTAPC-UHFFFAOYSA-N 1 0 535.128 7.185 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)c1 ZINC000045227300 562659410 /nfs/dbraw/zinc/65/94/10/562659410.db2.gz SMTNWHKLZIQMSO-WEVVVXLNSA-N 1 0 520.460 7.212 1 0 KKAFRO COCC[NH2+]Cc1cccc(-c2ccccc2CN(C(=O)c2ccc3c(c2)OCO3)c2ccc(OC)cc2)c1 ZINC000045228300 562659527 /nfs/dbraw/zinc/65/95/27/562659527.db2.gz JJACYLQBDQRGIB-UHFFFAOYSA-N 1 0 524.617 5.674 1 0 KKAFRO CCCC[NH+](CCCC)CC[C@@H](O)/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000045230706 562659607 /nfs/dbraw/zinc/65/96/07/562659607.db2.gz ZCTAXTJBDYYHSO-BQKWAYIGSA-N 1 0 517.463 7.788 1 0 KKAFRO CC(C)CCNC(=O)[C@@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045230153 562659611 /nfs/dbraw/zinc/65/96/11/562659611.db2.gz RQPRPEQJANVLEJ-VWLOTQADSA-N 1 0 523.519 5.098 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2ccc3c(c2)CCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045230709 562659632 /nfs/dbraw/zinc/65/96/32/562659632.db2.gz SATQECHKEAAPOP-UHFFFAOYSA-N 1 0 531.100 5.413 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000045245713 562659730 /nfs/dbraw/zinc/65/97/30/562659730.db2.gz QWNBSJOCJVHVKS-UHFFFAOYSA-N 1 0 526.660 5.606 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000045245473 562659738 /nfs/dbraw/zinc/65/97/38/562659738.db2.gz KPQJQZXAXPLRFI-UHFFFAOYSA-N 1 0 526.660 5.606 1 0 in-vivo KKAFRO CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CC[NH+]([C@H](C)c4ccccc4)CC3)c2C1=O ZINC000045245327 562659760 /nfs/dbraw/zinc/65/97/60/562659760.db2.gz JGIWRIFEXHLPDP-BWKNWUBXSA-N 1 0 513.638 5.334 1 0 KKAFRO Cc1ccc2c(c1)nc(N1CCCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045253726 562659861 /nfs/dbraw/zinc/65/98/61/562659861.db2.gz OWBJDMRAJLJHRC-UHFFFAOYSA-N 1 0 534.708 6.001 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC1CCC([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045301805 562660519 /nfs/dbraw/zinc/66/05/19/562660519.db2.gz ZZEORAWDZHRABV-XYOKQWHBSA-N 1 0 524.536 7.433 1 0 KKAFRO Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCC[NH+]1CCCC1 ZINC000045316099 562660861 /nfs/dbraw/zinc/66/08/61/562660861.db2.gz NNAQQWKMWYGTDJ-UHFFFAOYSA-N 1 0 502.388 5.107 1 0 KKAFRO Cc1cc(O)cc2c(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccccc5Cl)CC4)CC3)c[nH]c21 ZINC000045322518 562661095 /nfs/dbraw/zinc/66/10/95/562661095.db2.gz JZPRBLXQIONSQS-DHZHZOJOSA-N 1 0 506.090 6.403 1 0 KKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323447 562661151 /nfs/dbraw/zinc/66/11/51/562661151.db2.gz LIXGLNMGABGNOR-UHFFFAOYSA-N 1 0 502.873 6.607 1 0 KKAFRO COc1ccccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045323718 562661161 /nfs/dbraw/zinc/66/11/61/562661161.db2.gz YLZARWQITNYKAT-UHFFFAOYSA-N 1 0 520.073 5.991 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cc1N1CC[NH+](C)CC1 ZINC000045323549 562661176 /nfs/dbraw/zinc/66/11/76/562661176.db2.gz BRIPIFQESGYWRA-UHFFFAOYSA-N 1 0 507.634 5.945 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]nc2-c2ccccc2)CC1 ZINC000045334335 562661258 /nfs/dbraw/zinc/66/12/58/562661258.db2.gz CIZIZKXJGQEGRV-ZRDIBKRKSA-N 1 0 511.497 6.563 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045335059 562661322 /nfs/dbraw/zinc/66/13/22/562661322.db2.gz UNVIGTWXEAABJG-RPWUZVMVSA-N 1 0 531.528 5.978 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045335061 562661328 /nfs/dbraw/zinc/66/13/28/562661328.db2.gz UNVIGTWXEAABJG-BJKOFHAPSA-N 1 0 531.528 5.978 1 0 KKAFRO CCc1ccccc1N1CC[NH+](CCCC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000045335219 562661331 /nfs/dbraw/zinc/66/13/31/562661331.db2.gz KQQQMCVSAGWUIT-UHFFFAOYSA-N 1 0 524.492 6.593 1 0 KKAFRO CC(C)(C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045335870 562661383 /nfs/dbraw/zinc/66/13/83/562661383.db2.gz HDZBPHRBCSQKJA-UHFFFAOYSA-N 1 0 516.951 6.464 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000045350084 562661730 /nfs/dbraw/zinc/66/17/30/562661730.db2.gz ZIJIMHMKDXTURQ-UHFFFAOYSA-N 1 0 512.635 6.572 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[NH+]3CCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045373665 562662269 /nfs/dbraw/zinc/66/22/69/562662269.db2.gz BXIRYBMZMOSQOI-UHFFFAOYSA-N 1 0 529.681 5.759 1 0 KKAFRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2)cc1 ZINC000045372728 562662271 /nfs/dbraw/zinc/66/22/71/562662271.db2.gz IBYCIYXZTCCNFB-UHFFFAOYSA-N 1 0 505.924 5.483 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[NH+](C)C)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045386841 562662403 /nfs/dbraw/zinc/66/24/03/562662403.db2.gz OSZMMTSKRWQNFY-UHFFFAOYSA-N 1 0 503.643 5.225 1 0 KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)C[NH+]1CCCC1 ZINC000045495840 562662689 /nfs/dbraw/zinc/66/26/89/562662689.db2.gz XCWSAVXACRBMPF-GGAORHGYSA-N 1 0 512.663 5.622 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C(=C\c4ccc(Cl)cc4Cl)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048307328 562662956 /nfs/dbraw/zinc/66/29/56/562662956.db2.gz BESVQLANLXKVAK-WZRZKRJLSA-N 1 0 652.622 8.072 1 0 KKAFRO Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307391 562663040 /nfs/dbraw/zinc/66/30/40/562663040.db2.gz CEAHWLYMTXMWOD-WUXMJOGZSA-N 1 0 631.044 8.047 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1N1CCCCC1 ZINC000049032998 562663424 /nfs/dbraw/zinc/66/34/24/562663424.db2.gz LFTMQJKIJXUZLM-UHFFFAOYSA-N 1 0 520.121 5.181 1 0 KKAFRO CCCC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000049051180 562663793 /nfs/dbraw/zinc/66/37/93/562663793.db2.gz UHKJTWIDEKDMCF-UHFFFAOYSA-N 1 0 503.012 7.525 1 0 KKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(OC)ccc21 ZINC000049053880 562663885 /nfs/dbraw/zinc/66/38/85/562663885.db2.gz IFCSDJGUXGRSFR-YTTGMZPUSA-N 1 0 513.634 6.396 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1CC1CCCCC1 ZINC000049089224 562664403 /nfs/dbraw/zinc/66/44/03/562664403.db2.gz KZWBOSLLKMNBLJ-UHFFFAOYSA-N 1 0 533.160 6.639 1 0 KKAFRO CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049110519 562664532 /nfs/dbraw/zinc/66/45/32/562664532.db2.gz FRWMBAREYKAXIM-MUUNZHRXSA-N 1 0 537.789 6.724 1 0 KKAFRO Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)N(CC[NH2+]C(C)C)C(C)C)c1Br ZINC000049604935 562665074 /nfs/dbraw/zinc/66/50/74/562665074.db2.gz YHWAUBCPZMSAPE-UHFFFAOYSA-N 1 0 624.498 8.026 1 0 KKAFRO C[C@@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)c(=O)c2Cl)C[C@@H](C)[NH2+]1 ZINC000049604934 562665089 /nfs/dbraw/zinc/66/50/89/562665089.db2.gz NFJXSNIIKZKBGJ-NHCUHLMSSA-N 1 0 543.071 5.443 1 0 KKAFRO CCOc1cc(C(C)C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049604947 562665120 /nfs/dbraw/zinc/66/51/20/562665120.db2.gz QNMBDGQHUGEDDY-UHFFFAOYSA-N 1 0 576.181 7.504 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCc2ccc(NC(=O)Cc3ccc4nc(-c5ccccc5)ccc4c3)cc2)cc1OC ZINC000049605072 562665271 /nfs/dbraw/zinc/66/52/71/562665271.db2.gz LZCNVRVPKWTKJA-UHFFFAOYSA-N 1 0 559.710 7.165 1 0 KKAFRO O=C(NCC1CCN(CC[NH+]2CCC(c3cn(CCO)c4ccccc34)CC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605149 562665394 /nfs/dbraw/zinc/66/53/94/562665394.db2.gz OFVNYTGJWKIYFM-UHFFFAOYSA-N 1 0 632.771 6.641 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[C@@H]([NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC[C@@H]2C1 ZINC000049605156 562665442 /nfs/dbraw/zinc/66/54/42/562665442.db2.gz QBRFRPNTDXAEOT-SXFLEYSGSA-N 1 0 536.547 7.385 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCC3)CCO2)CC1 ZINC000049605176 562665469 /nfs/dbraw/zinc/66/54/69/562665469.db2.gz REQMUYNNDGAIKX-WJOKGBTCSA-N 1 0 557.562 6.251 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049605289 562665658 /nfs/dbraw/zinc/66/56/58/562665658.db2.gz KXCVXJJWJDZVEA-WEVVVXLNSA-N 1 0 588.432 7.051 1 0 KKAFRO COc1cccc(C(=O)N2CCO[C@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049605353 562665717 /nfs/dbraw/zinc/66/57/17/562665717.db2.gz LLWKPNOAUJXXAA-HKBQPEDESA-N 1 0 553.530 6.640 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000049605405 562665857 /nfs/dbraw/zinc/66/58/57/562665857.db2.gz KFKJXQYCHOENDR-UHFFFAOYSA-N 1 0 538.654 7.469 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049605425 562665858 /nfs/dbraw/zinc/66/58/58/562665858.db2.gz NFKIBYINFWGIMG-JARZOMNASA-N 1 0 564.966 6.666 1 0 KKAFRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)o1)c1ccccc1 ZINC000049605477 562665901 /nfs/dbraw/zinc/66/59/01/562665901.db2.gz ZCBVZHNAVGSWGM-GDLZYMKVSA-N 1 0 545.643 6.685 1 0 KKAFRO CC[NH+](CC)CCN(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1CCc1cccc(F)c1F)CCC2 ZINC000049605524 562665954 /nfs/dbraw/zinc/66/59/54/562665954.db2.gz LBUONYPDIVXTRP-UHFFFAOYSA-N 1 0 694.789 7.284 1 0 KKAFRO O=C(Cc1ccccc1)N[C@H](CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049605479 562665986 /nfs/dbraw/zinc/66/59/86/562665986.db2.gz LYKHJUMUTTZIMQ-SSEXGKCCSA-N 1 0 668.609 7.120 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605544 562666048 /nfs/dbraw/zinc/66/60/48/562666048.db2.gz IGQADVDYHVHMJQ-RTWAWAEBSA-N 1 0 619.943 7.342 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c(Br)[nH]c4ccccc43)CC2)CC1 ZINC000049605608 562666086 /nfs/dbraw/zinc/66/60/86/562666086.db2.gz YUFPYYCZFNIGLQ-SOFGYWHQSA-N 1 0 575.378 7.369 1 0 KKAFRO CC(C)CCNC(=O)[C@@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049605589 562666097 /nfs/dbraw/zinc/66/60/97/562666097.db2.gz USBMVNAYPCUHSW-SANMLTNESA-N 1 0 537.546 5.141 1 0 KKAFRO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCC[C@@H]3CCC[N@@H+]3C)nc21 ZINC000049605602 562666107 /nfs/dbraw/zinc/66/61/07/562666107.db2.gz GIMUQLCVOVKVCW-IBGZPJMESA-N 1 0 556.568 5.728 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605682 562666191 /nfs/dbraw/zinc/66/61/91/562666191.db2.gz HIHJNXITECFVOS-PKTZIBPZSA-N 1 0 553.481 5.948 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@@H](CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000049605686 562666261 /nfs/dbraw/zinc/66/62/61/562666261.db2.gz GWIWDGSFYXFXQY-AXSXGGAZSA-N 1 0 560.569 8.048 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CO ZINC000049605825 562666402 /nfs/dbraw/zinc/66/64/02/562666402.db2.gz RQFAQHHGDWSHDY-UHFFFAOYSA-N 1 0 556.654 6.192 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CCCNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000049614021 562666549 /nfs/dbraw/zinc/66/65/49/562666549.db2.gz JBRADNIHEDHWFN-LEBWJFOGSA-N 1 0 574.549 5.944 1 0 KKAFRO O=C(Nc1cccc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049625521 562666758 /nfs/dbraw/zinc/66/67/58/562666758.db2.gz WNUBINGTGVGWNK-DHIUTWEWSA-N 1 0 535.491 5.809 1 0 KKAFRO CCN(CC)C(=O)Nc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(CC[N@H+](CC)CCO)c3)n2)cc1 ZINC000049625519 562666763 /nfs/dbraw/zinc/66/67/63/562666763.db2.gz MSLVYACEALOUHZ-UHFFFAOYSA-N 1 0 592.748 5.932 1 0 KKAFRO CC(=O)Nc1ccc(C[N@@H+]2CCc3ccc(NS(=O)(=O)c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3CC2)s1 ZINC000049625699 562666825 /nfs/dbraw/zinc/66/68/25/562666825.db2.gz VJWRKIPITVFNSA-UHFFFAOYSA-N 1 0 599.700 6.794 1 0 KKAFRO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000049626071 562666980 /nfs/dbraw/zinc/66/69/80/562666980.db2.gz PZRLSTYDZTVVBR-XAJSROBASA-N 1 0 584.717 5.002 1 0 KKAFRO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1F)[C@H]1CC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049626118 562666982 /nfs/dbraw/zinc/66/69/82/562666982.db2.gz VETFHEGTSRZEPN-YNGPXCDWSA-N 1 0 600.484 6.697 1 0 KKAFRO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1F)[C@@H]1CC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049626115 562667015 /nfs/dbraw/zinc/66/70/15/562667015.db2.gz VETFHEGTSRZEPN-WSQJUEJXSA-N 1 0 600.484 6.697 1 0 KKAFRO CCc1cc(OC)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049626230 562667073 /nfs/dbraw/zinc/66/70/73/562667073.db2.gz GBSVSHLIYFJYQF-UHFFFAOYSA-N 1 0 548.127 6.553 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCCS1(=O)=O ZINC000049626650 562667269 /nfs/dbraw/zinc/66/72/69/562667269.db2.gz VEXFGDDUOVDOTH-BHDXBOSCSA-N 1 0 670.798 5.837 1 0 KKAFRO CCOc1cc(C)ccc1C1CCN(CC[NH+]2CCC(CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CC1 ZINC000049626742 562667297 /nfs/dbraw/zinc/66/72/97/562667297.db2.gz VTMPSGUOIJHTDE-UHFFFAOYSA-N 1 0 607.761 7.401 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626688 562667305 /nfs/dbraw/zinc/66/73/05/562667305.db2.gz SJWUKHCSCHZFJM-PKTZIBPZSA-N 1 0 551.946 6.323 1 0 KKAFRO O=c1cc(NCC[C@H](C[NH2+]Cc2cc3ccccc3o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626737 562667320 /nfs/dbraw/zinc/66/73/20/562667320.db2.gz SDROXRZCBIRXDT-HSZRJFAPSA-N 1 0 624.377 6.550 1 0 KKAFRO O=C(CCc1cccc(O)c1)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049626812 562667418 /nfs/dbraw/zinc/66/74/18/562667418.db2.gz SLAFDJAMGDMAFA-SANMLTNESA-N 1 0 642.392 5.641 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000049626965 562667467 /nfs/dbraw/zinc/66/74/67/562667467.db2.gz PMBJWUZQJIXPBK-OAQYLSRUSA-N 1 0 537.648 5.528 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639091 562667625 /nfs/dbraw/zinc/66/76/25/562667625.db2.gz WBJZXUQDAVEAJL-LEWJYISDSA-N 1 0 569.936 6.462 1 0 KKAFRO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C(=O)c5ccc(Cl)c(Cl)c5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049639209 562667705 /nfs/dbraw/zinc/66/77/05/562667705.db2.gz WJZIOPUFOZDQQB-NRFANRHFSA-N 1 0 590.526 6.754 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)c(C(=O)OC(C)C)c3)CC2)ccc2c1CCCC2 ZINC000049639240 562667722 /nfs/dbraw/zinc/66/77/22/562667722.db2.gz XHJDPQCFKSGQCQ-UHFFFAOYSA-N 1 0 650.782 8.215 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)cc([C@@H](C)O)c2)c1 ZINC000049650248 562668041 /nfs/dbraw/zinc/66/80/41/562668041.db2.gz IXJVBGCZQGVESS-GHOOYHSOSA-N 1 0 649.710 5.149 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccccc3Cl)c3n(c2=O)CCCC3)CC1 ZINC000049678984 562668695 /nfs/dbraw/zinc/66/86/95/562668695.db2.gz WVKAZOCKRNYFGE-UHFFFAOYSA-N 1 0 545.127 6.116 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049679217 562668810 /nfs/dbraw/zinc/66/88/10/562668810.db2.gz YIYLAYRSJCHOLQ-UHFFFAOYSA-N 1 0 608.401 7.126 1 0 KKAFRO CCC[NH2+]CC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694994 562670098 /nfs/dbraw/zinc/67/00/98/562670098.db2.gz GQKNBSMARDYZOD-ROJLCIKYSA-N 1 0 635.710 5.355 1 0 KKAFRO O=C(CC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049695552 562670700 /nfs/dbraw/zinc/67/07/00/562670700.db2.gz ZKUDYKATSJZZEJ-XMMPIXPASA-N 1 0 558.169 5.473 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710365 562671636 /nfs/dbraw/zinc/67/16/36/562671636.db2.gz ULUFTMCPJDOCPU-RWSKJCERSA-N 1 0 613.224 5.145 1 0 KKAFRO CC(=O)c1ccc2cc(C(=O)NC3CCC(CC[N@@H+]4CCc5ccc(-c6noc(C)n6)cc5CC4)CC3)[nH]c2c1 ZINC000049710558 562671714 /nfs/dbraw/zinc/67/17/14/562671714.db2.gz CCRMTYXNQVMADU-UHFFFAOYSA-N 1 0 539.680 5.508 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)Cc4ccc(Br)c5ccccc45)CC3)c2c1 ZINC000049710585 562671721 /nfs/dbraw/zinc/67/17/21/562671721.db2.gz SZPJREVFRZSTCZ-NDEPHWFRSA-N 1 0 548.481 5.016 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049710521 562671738 /nfs/dbraw/zinc/67/17/38/562671738.db2.gz XBZRVHUHDCWGBJ-XZOQPEGZSA-N 1 0 585.498 6.688 1 0 KKAFRO COC(=O)Nc1ccc(-c2ccc(C(=O)NC3CC[NH+](C[C@H](O)c4ccnc5ccc(OC)cc54)CC3)cc2)c(C)c1 ZINC000049711253 562672005 /nfs/dbraw/zinc/67/20/05/562672005.db2.gz UPKZYQMOZDIMGM-HKBQPEDESA-N 1 0 568.674 5.325 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049722598 562672264 /nfs/dbraw/zinc/67/22/64/562672264.db2.gz QBCBCLXHVIYSNK-ZJJOJAIXSA-N 1 0 644.728 5.594 1 0 KKAFRO Cc1ccc(Cn2ncc(NC3CC[NH2+]CC3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049722728 562672429 /nfs/dbraw/zinc/67/24/29/562672429.db2.gz XRXMFOLZHFXPPP-UHFFFAOYSA-N 1 0 543.071 5.728 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](Nc2cccs2)NC1 ZINC000049722881 562672638 /nfs/dbraw/zinc/67/26/38/562672638.db2.gz CJNFIXOAWVPWLI-NFAPWKBDSA-N 1 0 570.750 5.039 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049723014 562672791 /nfs/dbraw/zinc/67/27/91/562672791.db2.gz ZXGPPVLESGLDOR-FNORWQNLSA-N 1 0 558.337 6.450 1 0 KKAFRO Cc1ccc(C(OC[C@H](O)CN2CCC[N@H+](C[C@@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049723217 562673081 /nfs/dbraw/zinc/67/30/81/562673081.db2.gz XQCPRRIYLNZGGI-LJEWAXOPSA-N 1 0 636.877 6.562 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723231 562673120 /nfs/dbraw/zinc/67/31/20/562673120.db2.gz KWOJGLWJTMKOGT-UNVMMQEESA-N 1 0 633.793 5.163 1 0 KKAFRO COCC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049723261 562673134 /nfs/dbraw/zinc/67/31/34/562673134.db2.gz KJZQKZKMRGGYPN-UHFFFAOYSA-N 1 0 707.784 7.226 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)CC(C)C)CCO2)CC1 ZINC000049723310 562673184 /nfs/dbraw/zinc/67/31/84/562673184.db2.gz CTULACSGASNQTB-PMERELPUSA-N 1 0 545.551 6.107 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000049744861 562673548 /nfs/dbraw/zinc/67/35/48/562673548.db2.gz GMOBBLGYRZZKCX-PONGOVJZSA-N 1 0 662.618 6.364 1 0 KKAFRO COc1cc(NC(=O)c2nn(CCC[NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)cc2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049744940 562673618 /nfs/dbraw/zinc/67/36/18/562673618.db2.gz IBAVXBQMRPAVQZ-UHFFFAOYSA-N 1 0 693.632 5.954 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745243 562673769 /nfs/dbraw/zinc/67/37/69/562673769.db2.gz GUNSFAQQGCFKPF-BVSLBCMMSA-N 1 0 539.454 5.558 1 0 KKAFRO CN(C(=O)OCc1ccccc1)C1CCC(CC[NH+]2CCC3(CC2)C(=O)NCN3c2cccc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000049745450 562673836 /nfs/dbraw/zinc/67/38/36/562673836.db2.gz HGBPEFVAEQWGDG-UHFFFAOYSA-N 1 0 648.770 6.973 1 0 KKAFRO COc1ccc(C(=O)NCC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1OCC[NH+](C(C)C)C(C)C ZINC000049745433 562673853 /nfs/dbraw/zinc/67/38/53/562673853.db2.gz VZAASWLJBLSEAL-UHFFFAOYSA-N 1 0 620.194 6.712 1 0 KKAFRO C[N@@H+]1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673882 /nfs/dbraw/zinc/67/38/82/562673882.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 1 0 541.317 5.233 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(/C=C/c2ccco2)nc(=O)c2ccccc21 ZINC000049745506 562673923 /nfs/dbraw/zinc/67/39/23/562673923.db2.gz BJTUNORDDYYJHY-FMQUCBEESA-N 1 0 628.695 7.216 1 0 KKAFRO O=c1cc(NCCC[NH2+]Cc2csc(Br)c2Sc2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000049745614 562673962 /nfs/dbraw/zinc/67/39/62/562673962.db2.gz VWANQTMUMXRPQP-UHFFFAOYSA-N 1 0 534.932 6.749 1 0 KKAFRO COc1ccc(C2CC[NH+](CCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049745708 562673990 /nfs/dbraw/zinc/67/39/90/562673990.db2.gz NXJHGCUPQCYTRF-UHFFFAOYSA-N 1 0 536.072 5.609 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746049 562674206 /nfs/dbraw/zinc/67/42/06/562674206.db2.gz RJLWTIWBORUOFS-UHFFFAOYSA-N 1 0 648.918 6.819 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049746608 562674483 /nfs/dbraw/zinc/67/44/83/562674483.db2.gz MRFCEJIBWSAONR-UHFFFAOYSA-N 1 0 554.613 5.299 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746651 562674534 /nfs/dbraw/zinc/67/45/34/562674534.db2.gz GFHYQYKEVCHEJJ-UHFFFAOYSA-N 1 0 620.864 6.038 1 0 KKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OCC[NH+](C(C)C)C(C)C)cc(C(F)(F)F)c1)CC2 ZINC000049746836 562674650 /nfs/dbraw/zinc/67/46/50/562674650.db2.gz OMOLJNWBKAAKEN-UHFFFAOYSA-N 1 0 531.541 7.125 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049756025 562674760 /nfs/dbraw/zinc/67/47/60/562674760.db2.gz RGGKWGBYGPWPDQ-FNORWQNLSA-N 1 0 573.352 6.281 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049756158 562674849 /nfs/dbraw/zinc/67/48/49/562674849.db2.gz DPYASQWYHILTBI-UHFFFAOYSA-N 1 0 556.692 5.381 1 0 KKAFRO COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)cc3)sc2c1 ZINC000049756419 562674986 /nfs/dbraw/zinc/67/49/86/562674986.db2.gz MOQBNQNUPNPLCH-UHFFFAOYSA-N 1 0 570.719 5.684 1 0 KKAFRO CN(C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1c1ccccc1 ZINC000049756911 562675297 /nfs/dbraw/zinc/67/52/97/562675297.db2.gz QTRSZPGOWFRCSK-LJAQVGFWSA-N 1 0 571.678 5.443 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2N(C)c1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756916 562675304 /nfs/dbraw/zinc/67/53/04/562675304.db2.gz NSXLLHJZQNFGCH-UHFFFAOYSA-N 1 0 584.746 5.708 1 0 KKAFRO CCOC(=O)c1nccn1-c1ccc(NC(=O)[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000049766983 562677307 /nfs/dbraw/zinc/67/73/07/562677307.db2.gz QNQQOCOEVIOOFR-VWLOTQADSA-N 1 0 539.617 5.307 1 0 KKAFRO OCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000049769900 562677891 /nfs/dbraw/zinc/67/78/91/562677891.db2.gz ODNXMCRXHMDJSU-VMHWWVBCSA-N 1 0 678.870 6.960 1 0 KKAFRO C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+]1CCCCC1 ZINC000049771131 562677953 /nfs/dbraw/zinc/67/79/53/562677953.db2.gz HKWKWMRIXJMVCH-CJAUYULYSA-N 1 0 530.065 5.263 1 0 KKAFRO C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+]1CCCCC1 ZINC000049771130 562677963 /nfs/dbraw/zinc/67/79/63/562677963.db2.gz HKWKWMRIXJMVCH-BVZFJXPGSA-N 1 0 530.065 5.263 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774623 562678655 /nfs/dbraw/zinc/67/86/55/562678655.db2.gz VUFRFPUOFHXBBM-HRFSGMKKSA-N 1 0 534.527 5.857 1 0 KKAFRO CN(C(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CC[NH+](C)CC5)c4)cnn3c2N)cc1)C1CCCCC1 ZINC000049775638 562679176 /nfs/dbraw/zinc/67/91/76/562679176.db2.gz NXCRYXWTLYEUAS-UHFFFAOYSA-N 1 0 538.700 5.194 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776343 562679391 /nfs/dbraw/zinc/67/93/91/562679391.db2.gz UMCNAJOTZHHMOT-XIFFEERXSA-N 1 0 646.581 8.752 1 0 KKAFRO Cc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 ZINC000049777030 562679571 /nfs/dbraw/zinc/67/95/71/562679571.db2.gz POQVHRORJJLKKH-YTTGMZPUSA-N 1 0 614.831 5.336 1 0 KKAFRO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777222 562679763 /nfs/dbraw/zinc/67/97/63/562679763.db2.gz APBCFIJUCKFARF-YTTGMZPUSA-N 1 0 659.831 6.788 1 0 KKAFRO CC[NH+](CC)CCNc1cc(-n2c3ccccc3nc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049777418 562679990 /nfs/dbraw/zinc/67/99/90/562679990.db2.gz REDBMKRPRFVCHI-UHFFFAOYSA-N 1 0 602.665 6.892 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[C@H]2COCC[NH2+]2)ncn1 ZINC000049777421 562680017 /nfs/dbraw/zinc/68/00/17/562680017.db2.gz XPIADKIXMMYTSD-VWLOTQADSA-N 1 0 630.675 6.319 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(c5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777428 562680025 /nfs/dbraw/zinc/68/00/25/562680025.db2.gz RLYGGUMVKCBVKA-PMERELPUSA-N 1 0 609.840 5.977 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc2Cl)CC1 ZINC000049777600 562680291 /nfs/dbraw/zinc/68/02/91/562680291.db2.gz KXTIIOOGQPWWGE-UHFFFAOYSA-N 1 0 596.139 5.493 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000049777724 562680492 /nfs/dbraw/zinc/68/04/92/562680492.db2.gz NRNGNAYNSCHVCC-VZUCSPMQSA-N 1 0 582.370 6.342 1 0 KKAFRO C[NH+](C)CCc1cccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC000049777810 562680566 /nfs/dbraw/zinc/68/05/66/562680566.db2.gz VGHGSNOCPAQYIA-UHFFFAOYSA-N 1 0 529.566 6.439 1 0 KKAFRO COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C3(CC3)C[NH2+]C2)C2CC2)c1C ZINC000049777940 562680692 /nfs/dbraw/zinc/68/06/92/562680692.db2.gz MWTQWVAUSOFVSS-UHFFFAOYSA-N 1 0 607.141 7.275 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccc(Cl)cc4)c3Cl)c2n1 ZINC000049780035 562681271 /nfs/dbraw/zinc/68/12/71/562681271.db2.gz PLOQALCOMRVEGB-UHFFFAOYSA-N 1 0 664.055 6.435 1 0 KKAFRO COc1cc(C(=O)N2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000049780284 562681599 /nfs/dbraw/zinc/68/15/99/562681599.db2.gz PVRUBEUPMQSJRW-UHFFFAOYSA-N 1 0 552.662 6.141 1 0 KKAFRO CC[NH+]1CCN(c2cc(C(=O)Nc3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc(C(F)(F)F)c2)CC1 ZINC000049780501 562681807 /nfs/dbraw/zinc/68/18/07/562681807.db2.gz HTEUQPWFMDGLKN-UHFFFAOYSA-N 1 0 615.664 5.863 1 0 KKAFRO [NH3+]C[C@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780778 562682227 /nfs/dbraw/zinc/68/22/27/562682227.db2.gz ARKBMNLTGFBKCG-NRFANRHFSA-N 1 0 581.918 7.245 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)c(Cl)s1)C1CCCCC1 ZINC000049780945 562682466 /nfs/dbraw/zinc/68/24/66/562682466.db2.gz ZQUTYGKFEAAOSB-NWVWQQAFSA-N 1 0 539.145 5.953 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2=C(c3ccccc3)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049783629 562683168 /nfs/dbraw/zinc/68/31/68/562683168.db2.gz QAUHOCBYVZPIDF-HUESYALOSA-N 1 0 701.949 7.402 1 0 KKAFRO CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OCC)[n+](Cc3ccccc3)cc21 ZINC000049784013 562683392 /nfs/dbraw/zinc/68/33/92/562683392.db2.gz AFYRAPYJDVUHGE-LJAQVGFWSA-O 1 0 534.680 5.835 1 0 KKAFRO CN(CC[NH+](C)C)C(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)cc1 ZINC000049784011 562683409 /nfs/dbraw/zinc/68/34/09/562683409.db2.gz JWQRJKUZDUQDNX-UHFFFAOYSA-N 1 0 702.734 7.985 1 0 KKAFRO CC[NH+](C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1 ZINC000049785224 562683915 /nfs/dbraw/zinc/68/39/15/562683915.db2.gz UTFRBPAGKUDDNY-NSOVKSMOSA-N 1 0 591.799 6.507 1 0 KKAFRO CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C3CC[NH2+]CC3)c2[C@@H](O)C1 ZINC000049785312 562683987 /nfs/dbraw/zinc/68/39/87/562683987.db2.gz JVAFBDUHJCPZEG-QFIPXVFZSA-N 1 0 500.605 6.462 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)cc1 ZINC000049793369 562684751 /nfs/dbraw/zinc/68/47/51/562684751.db2.gz CIGNUCKEHATOKY-UHFFFAOYSA-N 1 0 709.747 7.486 1 0 KKAFRO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C[C@H]2CCC[N@@H+]2C(C)C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793745 562685117 /nfs/dbraw/zinc/68/51/17/562685117.db2.gz NWQJFPWWHYXJHA-RCZVLFRGSA-N 1 0 639.694 6.342 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2cccc(Cl)c2)s1)C1CCCCC1 ZINC000049793746 562685122 /nfs/dbraw/zinc/68/51/22/562685122.db2.gz DCNHHLAXABEHQZ-WYRQLCSISA-N 1 0 539.145 5.953 1 0 KKAFRO O=C(Nc1ccccc1)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049802303 562685633 /nfs/dbraw/zinc/68/56/33/562685633.db2.gz PLQOKDSGXCSTPR-UHFFFAOYSA-N 1 0 588.716 5.811 1 0 KKAFRO COc1ccc(C[NH2+][C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]5CC[C@H]([C@@]6(O)C[C@@H](C=C(C)C)OC6=O)[C@H]5CC[C@H]34)C2(C)C)cc1 ZINC000049803766 562686254 /nfs/dbraw/zinc/68/62/54/562686254.db2.gz TYQGIEGOUOPXDM-XVPHYCDASA-N 1 0 577.850 7.461 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CC[NH+](CC)CC5)cc43)ccc2s1 ZINC000049807909 562686554 /nfs/dbraw/zinc/68/65/54/562686554.db2.gz OPNQRXYNYMDNRJ-UHFFFAOYSA-N 1 0 549.697 5.180 1 0 KKAFRO CC(C)c1ccc(CN(Cc2ccc(C(C)C)cc2)c2ccc(NC(=O)c3ccc(NC(=O)CNC(N)=[NH2+])c(-c4ccc5ccccc5c4)c3)cc2)cc1 ZINC000049817573 562686843 /nfs/dbraw/zinc/68/68/43/562686843.db2.gz SIBHQDFUCIENOA-UHFFFAOYSA-N 1 0 716.930 9.634 1 0 KKAFRO CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049867401 562689475 /nfs/dbraw/zinc/68/94/75/562689475.db2.gz PEIFDCMYVCGNKX-NDEPHWFRSA-N 1 0 563.699 5.183 1 0 in-vivo KKAFRO CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000049867726 562689600 /nfs/dbraw/zinc/68/96/00/562689600.db2.gz AKDBQZUOKGFQSF-ILJQZKEFSA-N 1 0 559.820 6.691 1 0 KKAFRO CC(C)(C)OC(=O)NCCCCC[NH+]=C1Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000049867732 562689612 /nfs/dbraw/zinc/68/96/12/562689612.db2.gz VEEAJIJNOVSTTJ-GDLZYMKVSA-N 1 0 555.723 6.227 1 0 KKAFRO O=S(=O)(c1ccccc1)N(CCC[NH2+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000049877839 562690262 /nfs/dbraw/zinc/69/02/62/562690262.db2.gz CROCPHYUDIVAOX-UHFFFAOYSA-N 1 0 591.799 5.138 1 0 KKAFRO CS(=O)(=O)n1ccc2c1cccc2OCCC[N@@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049898232 562692341 /nfs/dbraw/zinc/69/23/41/562692341.db2.gz PMNRZVRQMPJDNZ-UHFFFAOYSA-N 1 0 641.155 8.224 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5c4)c(OC)c(OC)c3)cc1)CC2 ZINC000049898348 562692495 /nfs/dbraw/zinc/69/24/95/562692495.db2.gz VNOXYKVYYQPXIW-UHFFFAOYSA-N 1 0 646.744 6.375 1 0 KKAFRO O=C(Cc1ccccc1)N[C@@H](CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049908042 562693433 /nfs/dbraw/zinc/69/34/33/562693433.db2.gz JVRCCBYTGCVJSV-MHZLTWQESA-N 1 0 558.937 6.331 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3c2cccc3-c2ccccc2)CC1 ZINC000049917532 562693519 /nfs/dbraw/zinc/69/35/19/562693519.db2.gz JWZCZBKCEUFBSV-FYWRMAATSA-N 1 0 560.569 8.321 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc3[nH]c(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)nc3c2)CC1 ZINC000049917567 562693567 /nfs/dbraw/zinc/69/35/67/562693567.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 1 0 555.126 6.153 1 0 KKAFRO COc1ccc2c(c1)C[C@@H]1C[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917674 562693733 /nfs/dbraw/zinc/69/37/33/562693733.db2.gz HMNBYPOENJHEBF-MUUNZHRXSA-N 1 0 581.544 5.507 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000049917724 562693769 /nfs/dbraw/zinc/69/37/69/562693769.db2.gz AXWSLXQQWLRFQH-BQHJZSHBSA-N 1 0 540.894 6.436 1 0 KKAFRO O=C(C=Cc1cccs1)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049917730 562693786 /nfs/dbraw/zinc/69/37/86/562693786.db2.gz GWIJKTFOQUSAQV-HCXLOTKHSA-N 1 0 630.406 6.077 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4ccc(Cl)c(C(F)(F)F)c4)CC3)c2c1 ZINC000049917739 562693847 /nfs/dbraw/zinc/69/38/47/562693847.db2.gz AKYKHLKBDYLYDZ-UDFXQGOISA-N 1 0 533.978 5.243 1 0 KKAFRO CCOc1ccc(C(=O)N2CCO[C@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049917772 562693880 /nfs/dbraw/zinc/69/38/80/562693880.db2.gz DGHVTGUWSIZXBN-YTTGMZPUSA-N 1 0 567.557 7.030 1 0 KKAFRO C[C@H]1CN(Cc2ccc(-c3cccc(CNC(=O)c4cccc(C(=O)c5ccc(Cl)c(Cl)c5)c4)c3)s2)CC[NH2+]1 ZINC000049917811 562693955 /nfs/dbraw/zinc/69/39/55/562693955.db2.gz WGQWUSSLPCHMAK-FQEVSTJZSA-N 1 0 578.565 6.677 1 0 KKAFRO COc1ccc(NC(=O)N2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000049917808 562693959 /nfs/dbraw/zinc/69/39/59/562693959.db2.gz CUJVNLDKZQXMNZ-KPKJPENVSA-N 1 0 553.025 5.517 1 0 KKAFRO CC[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CCCC2)cc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000049917993 562694291 /nfs/dbraw/zinc/69/42/91/562694291.db2.gz VMKDPVRWRVFXTR-XKKJXBDVSA-N 1 0 588.192 6.567 1 0 KKAFRO O=C(Nc1ccccc1)N[C@H]1CC[N@@H+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918035 562694324 /nfs/dbraw/zinc/69/43/24/562694324.db2.gz MENBXQWQAZNXTG-QCDSWUKFSA-N 1 0 567.517 5.647 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049918038 562694350 /nfs/dbraw/zinc/69/43/50/562694350.db2.gz GDAOTXGABVHAOU-JHSVMATKSA-N 1 0 617.618 6.784 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000049918122 562694522 /nfs/dbraw/zinc/69/45/22/562694522.db2.gz OYNFNIUONBHBTC-PNVMRLOYSA-N 1 0 609.598 7.619 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccc3)c2)CC1 ZINC000049918246 562694675 /nfs/dbraw/zinc/69/46/75/562694675.db2.gz VTXVBCLFHOUOJX-UHFFFAOYSA-N 1 0 652.659 5.602 1 0 KKAFRO OCCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000049933362 562694884 /nfs/dbraw/zinc/69/48/84/562694884.db2.gz HHHDZZQDYVCTTK-QFWBAHPJSA-N 1 0 692.897 7.350 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049938211 562695145 /nfs/dbraw/zinc/69/51/45/562695145.db2.gz WZCRTOKSBDFVAS-BHBYDHKZSA-N 1 0 675.072 7.905 1 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCC(c4ccc(C(F)(F)F)cc4)CC3)ccc2c1 ZINC000049942274 562695418 /nfs/dbraw/zinc/69/54/18/562695418.db2.gz GLHXGJYSHGLSID-UHFFFAOYSA-N 1 0 631.123 8.714 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053059276 562696195 /nfs/dbraw/zinc/69/61/95/562696195.db2.gz YMZHRXONGJQIMG-UHFFFAOYSA-N 1 0 589.622 5.804 1 0 KKAFRO CCCN(c1cccnc1)C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000053204605 562696452 /nfs/dbraw/zinc/69/64/52/562696452.db2.gz CJOPYFQSLHCHSZ-LXLYTFERSA-N 1 0 518.746 5.512 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260426 562696956 /nfs/dbraw/zinc/69/69/56/562696956.db2.gz SFNJKKWRQWUNJB-AWJLRTIGSA-N 1 0 560.676 6.908 1 0 KKAFRO CC(=O)N(c1ccc(N2CC[NH+](CC[C@H](NC(=O)C3CCCCC3)c3ccc(C(F)(F)F)cc3)CC2)cc1)C(C)C ZINC000053294225 562697251 /nfs/dbraw/zinc/69/72/51/562697251.db2.gz NBGUQDBBLYVDDA-PMERELPUSA-N 1 0 572.716 6.417 1 0 KKAFRO CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053298119 562697465 /nfs/dbraw/zinc/69/74/65/562697465.db2.gz CKJLVGRMTIJCAD-MHZLTWQESA-N 1 0 562.557 6.474 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000055753309 562697750 /nfs/dbraw/zinc/69/77/50/562697750.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 1 0 638.761 6.868 1 0 KKAFRO C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058498817 562698244 /nfs/dbraw/zinc/69/82/44/562698244.db2.gz FZYZAZVPXUZVPL-PGPLVTSKSA-N 1 0 530.112 5.657 1 0 KKAFRO CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41C[N@@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000058532952 562698619 /nfs/dbraw/zinc/69/86/19/562698619.db2.gz MOSIRVPMEDLWCZ-BALBDZJMSA-N 1 0 583.729 5.021 1 0 KKAFRO Cn1c2ccc(Cl)cc2n(C2CC[NH+](CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058548709 562699133 /nfs/dbraw/zinc/69/91/33/562699133.db2.gz UUSUCXDJVSXCBL-UHFFFAOYSA-N 1 0 663.581 5.667 1 0 in-vitro KKAFRO FC(F)(F)Oc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058581882 562699882 /nfs/dbraw/zinc/69/98/82/562699882.db2.gz UVTTXKXCSIOWAF-UHFFFAOYSA-N 1 0 529.006 7.259 1 0 KKAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)CCCNC(=O)c4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000058655508 562701390 /nfs/dbraw/zinc/70/13/90/562701390.db2.gz MGXIZCAUYCJXAE-MHZLTWQESA-N 1 0 696.657 5.954 1 0 KKAFRO COc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@@H](C)CCCC(C)C)c(OC)c1 ZINC000059033318 562701607 /nfs/dbraw/zinc/70/16/07/562701607.db2.gz PMJQQUGWVIORDG-DEOSSOPVSA-N 1 0 580.766 7.079 1 0 KKAFRO O=C(OC[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000059031356 562701617 /nfs/dbraw/zinc/70/16/17/562701617.db2.gz LORYZGWEMSWZDE-YTTGMZPUSA-N 1 0 574.725 6.417 1 0 KKAFRO COC(=O)CCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031243 562701619 /nfs/dbraw/zinc/70/16/19/562701619.db2.gz QQFXOQFROKBYDL-NDEPHWFRSA-N 1 0 606.590 8.126 1 0 KKAFRO C[N@H+]1CC(=Cc2ccc(Br)cc2)C2=NC(=S)N[C@@H](c3ccc(Br)cc3)C2C1 ZINC000059316065 562701963 /nfs/dbraw/zinc/70/19/63/562701963.db2.gz APLLUVWRENDFQK-XATQLNLPSA-N 1 0 505.279 5.014 1 0 KKAFRO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687920 562702124 /nfs/dbraw/zinc/70/21/24/562702124.db2.gz AXZSTWFPHUHVFF-ZEQRLZLVSA-N 1 0 506.731 7.868 1 0 KKAFRO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1cccc(C(F)(F)F)c1 ZINC000059767145 562702195 /nfs/dbraw/zinc/70/21/95/562702195.db2.gz DVJYMPYLFMEZMR-UHFFFAOYSA-N 1 0 518.421 6.932 1 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796539 562702337 /nfs/dbraw/zinc/70/23/37/562702337.db2.gz AWQTVWMPPTYLII-ALQBRSPBSA-N 1 0 510.603 7.789 3 0 KKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061903999 562702994 /nfs/dbraw/zinc/70/29/94/562702994.db2.gz QOJZVIWTELKIOI-PMERELPUSA-N 1 0 513.613 5.379 3 0 KKAFRO Cn1cc(C[NH+]2CCC(C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907288 562703076 /nfs/dbraw/zinc/70/30/76/562703076.db2.gz OGGRXZHPJZOSGR-YTTGMZPUSA-N 1 0 515.661 5.753 3 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000061926354 562703611 /nfs/dbraw/zinc/70/36/11/562703611.db2.gz UPQOUOPNAPNOAC-HKBQPEDESA-N 1 0 504.609 6.040 3 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CC[C@]2(c3cccc(Br)c3)C[C@@H]2C1)C(C)C ZINC000064417222 562705147 /nfs/dbraw/zinc/70/51/47/562705147.db2.gz AVQPXABTEFSDRR-YGZVCBRSSA-N 1 0 548.516 7.190 1 0 KKAFRO CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(C[N@H+](CC)C/C3=C\c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)N12 ZINC000064448750 562705542 /nfs/dbraw/zinc/70/55/42/562705542.db2.gz CLKHEKQGFSCBKT-VKHARKSUSA-N 1 0 559.714 6.395 1 0 KKAFRO CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448835 562705549 /nfs/dbraw/zinc/70/55/49/562705549.db2.gz CCHFOHLBWJLTBI-VXKWHMMOSA-N 1 0 562.628 5.951 1 0 KKAFRO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(OC)c3C)C3CC3)[C@H]3C[NH2+]C[C@@H](C2)N3)cc1 ZINC000064454135 562705717 /nfs/dbraw/zinc/70/57/17/562705717.db2.gz MHVMWVABGVAGAO-CYTLCNBWSA-N 1 0 611.783 5.276 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000064513702 562706480 /nfs/dbraw/zinc/70/64/80/562706480.db2.gz FJQYYWBVLQJICY-UHFFFAOYSA-N 1 0 519.432 6.622 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OC(C)(C)C ZINC000064527554 562707014 /nfs/dbraw/zinc/70/70/14/562707014.db2.gz WXIMEBCMMVRLDM-UHFFFAOYSA-N 1 0 510.654 6.979 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccnc(N)c4)cc3C)cc2)c(Cl)c1 ZINC000064549355 562708040 /nfs/dbraw/zinc/70/80/40/562708040.db2.gz XHLCQIDTHMOIJG-XMMPIXPASA-N 1 0 536.503 6.997 1 0 KKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000064553701 562708315 /nfs/dbraw/zinc/70/83/15/562708315.db2.gz HZLFFNCLTRVYJG-VAMIOQQISA-N 1 0 504.781 5.029 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000064622675 562708882 /nfs/dbraw/zinc/70/88/82/562708882.db2.gz DWBBIMOOPOSMMP-WAPJKPAKSA-N 1 0 617.549 6.058 3 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066442 562709389 /nfs/dbraw/zinc/70/93/89/562709389.db2.gz ZYQUJIGXLRKQQU-XYFQYJLHSA-N 1 0 599.002 6.691 1 0 KKAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(CC[NH+]5CCCCC5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066099639 562711163 /nfs/dbraw/zinc/71/11/63/562711163.db2.gz HNBCEKOTJCGPQE-QGWJVEIISA-N 1 0 586.685 5.254 1 0 KKAFRO COc1cc2ccccc2cc1C(=O)NC1(C(=O)N[C@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1 ZINC000066100652 562711263 /nfs/dbraw/zinc/71/12/63/562711263.db2.gz MOPFRPUDCVVVPA-UUWRZZSWSA-N 1 0 640.869 5.443 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101598 562711398 /nfs/dbraw/zinc/71/13/98/562711398.db2.gz XWIGQKXPVMJLRO-RITIEAMOSA-N 1 0 613.806 7.220 1 0 KKAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3C(F)(F)F)ncc2Cl)c1 ZINC000066102465 562711459 /nfs/dbraw/zinc/71/14/59/562711459.db2.gz BJAFEGHEWRKAGM-UHFFFAOYSA-N 1 0 532.954 5.561 1 0 KKAFRO COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cc(N5CC[NH+](C)CC5)cc(C(F)(F)F)c4)ccc3C)c2N)cc1 ZINC000066103017 562711535 /nfs/dbraw/zinc/71/15/35/562711535.db2.gz RJUIPSHAQLVWNM-UHFFFAOYSA-N 1 0 621.664 5.106 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066129122 562712870 /nfs/dbraw/zinc/71/28/70/562712870.db2.gz GHLGUBAWDNIZDR-DDFCPOBKSA-N 1 0 557.691 5.180 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000066136378 562713082 /nfs/dbraw/zinc/71/30/82/562713082.db2.gz FUJCODGQRRJPPD-YGKZAACZSA-N 1 0 590.470 5.627 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000066139355 562713497 /nfs/dbraw/zinc/71/34/97/562713497.db2.gz MPPRMBLAGUCTKA-YRCZKMHPSA-N 1 0 635.988 5.932 3 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)CC[C@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157535 562713956 /nfs/dbraw/zinc/71/39/56/562713956.db2.gz FKRJWSOOMWTJEG-MOMDTQCHSA-N 1 0 629.806 5.002 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000066167032 562714254 /nfs/dbraw/zinc/71/42/54/562714254.db2.gz JPARDOGKZJZHGL-HHHXNRCGSA-N 1 0 533.600 5.001 1 0 KKAFRO C[N@@H+]1CCCC[C@@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251143 562714448 /nfs/dbraw/zinc/71/44/48/562714448.db2.gz JZNBBUHXLHNYJX-HXUWFJFHSA-N 1 0 579.593 6.154 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC2 ZINC000066251212 562714461 /nfs/dbraw/zinc/71/44/61/562714461.db2.gz VYEDXRKISBSQCV-UHFFFAOYSA-N 1 0 508.493 6.334 1 0 KKAFRO C[NH+](C)[C@@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066252097 562714678 /nfs/dbraw/zinc/71/46/78/562714678.db2.gz PKILCYFBQFTXGK-LJQANCHMSA-N 1 0 565.566 5.398 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000068087594 562715763 /nfs/dbraw/zinc/71/57/63/562715763.db2.gz ZYLYHIRSGOICHC-WCABBKOESA-N 1 0 688.096 6.185 1 0 KKAFRO C[N@@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198776 562715957 /nfs/dbraw/zinc/71/59/57/562715957.db2.gz TZVXNNVFMGZHLT-QWIPUYGYSA-N 1 0 525.637 5.259 1 0 KKAFRO C[S@](=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251019 562716274 /nfs/dbraw/zinc/71/62/74/562716274.db2.gz OAMVGUFHZPRXOM-LDLOPFEMSA-N 1 0 565.070 6.473 1 0 KKAFRO C[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251015 562716307 /nfs/dbraw/zinc/71/63/07/562716307.db2.gz OAMVGUFHZPRXOM-KDXMTYKHSA-N 1 0 565.070 6.473 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294647 562716937 /nfs/dbraw/zinc/71/69/37/562716937.db2.gz WWWDSUPUGKTUBA-FITHBNAOSA-N 1 0 530.732 6.648 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)CCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071295556 562717306 /nfs/dbraw/zinc/71/73/06/562717306.db2.gz DTTWZPSCBDLSIM-KXMYWBMJSA-N 1 0 590.918 7.288 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccncc2)c2ccc(Br)cc2)CC1 ZINC000071296901 562717656 /nfs/dbraw/zinc/71/76/56/562717656.db2.gz AOUQIZRTIMIHNA-QYBDOPJKSA-N 1 0 592.365 6.587 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000071296970 562717669 /nfs/dbraw/zinc/71/76/69/562717669.db2.gz RZFIMUGJIHXZIF-RPLLCQBOSA-N 1 0 523.073 5.330 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000071315886 562717746 /nfs/dbraw/zinc/71/77/46/562717746.db2.gz CNRWDHVJFUQCMD-UHFFFAOYSA-N 1 0 520.599 6.950 1 0 KKAFRO CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)sc21 ZINC000071318577 562718580 /nfs/dbraw/zinc/71/85/80/562718580.db2.gz OMVHCFMRXIFNMI-UHFFFAOYSA-N 1 0 534.604 5.547 1 0 KKAFRO Cc1cc(C)cc(-c2cnc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071319137 562718757 /nfs/dbraw/zinc/71/87/57/562718757.db2.gz BMJFEESLJOXGMQ-OAQYLSRUSA-N 1 0 516.045 6.125 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(F)cc3Cl)CC2)c1 ZINC000071329251 562718816 /nfs/dbraw/zinc/71/88/16/562718816.db2.gz WNJONRNZPZGOBS-UHFFFAOYSA-N 1 0 505.037 6.724 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000071329611 562718925 /nfs/dbraw/zinc/71/89/25/562718925.db2.gz VIURCJWEVJGFFP-UHFFFAOYSA-N 1 0 520.599 6.950 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000071329559 562718948 /nfs/dbraw/zinc/71/89/48/562718948.db2.gz RDXRUWJACUMNME-WIOPSUGQSA-N 1 0 542.598 5.419 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000071329632 562718955 /nfs/dbraw/zinc/71/89/55/562718955.db2.gz IJLWJAZHBSUYRA-JYFHCDHNSA-N 1 0 509.046 5.054 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329642 562719004 /nfs/dbraw/zinc/71/90/04/562719004.db2.gz YZUWTIDKWIGKBL-CRICUBBOSA-N 1 0 615.911 7.496 1 0 KKAFRO O=C(OCc1ccccc1)OC[C@@H](CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071330313 562719124 /nfs/dbraw/zinc/71/91/24/562719124.db2.gz YQRXKYVYZVIRDI-LJAQVGFWSA-N 1 0 589.692 5.478 1 0 KKAFRO O=C(OCc1ccccc1)OC[C@H](CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071330317 562719135 /nfs/dbraw/zinc/71/91/35/562719135.db2.gz YQRXKYVYZVIRDI-GDLZYMKVSA-N 1 0 589.692 5.478 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000071340815 562719837 /nfs/dbraw/zinc/71/98/37/562719837.db2.gz GBQLALWRLHAJHT-WWFXOLRUSA-N 1 0 537.063 6.731 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072104313 562720437 /nfs/dbraw/zinc/72/04/37/562720437.db2.gz OHKIQZQGBKFRKA-KWRMZWAXSA-N 1 0 662.026 6.467 3 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccc2c(c1)OCCO2 ZINC000072104701 562720634 /nfs/dbraw/zinc/72/06/34/562720634.db2.gz AUEFNYUPUFEFKV-UHFFFAOYSA-N 1 0 565.718 5.178 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072106989 562721116 /nfs/dbraw/zinc/72/11/16/562721116.db2.gz HLIQIXKHPVIBEA-GKRYNVPLSA-N 1 0 642.275 7.729 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107098 562721173 /nfs/dbraw/zinc/72/11/73/562721173.db2.gz CFTPYNUSGDCEFZ-ZWEKWIFMSA-N 1 0 668.191 7.493 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCCO)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107740 562721325 /nfs/dbraw/zinc/72/13/25/562721325.db2.gz RXPUDPFPHRKTPJ-REUBFRLUSA-N 1 0 630.220 5.923 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@@H](F)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109793 562721682 /nfs/dbraw/zinc/72/16/82/562721682.db2.gz TYPVIAFFRFMVRU-LRJWDFOKSA-N 1 0 658.249 7.385 1 0 KKAFRO C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111180 562721913 /nfs/dbraw/zinc/72/19/13/562721913.db2.gz XJZSAPSRQHWIRO-YQLOHFSOSA-N 1 0 588.755 6.583 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6cccc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112034 562722018 /nfs/dbraw/zinc/72/20/18/562722018.db2.gz BFWNNQBQYJZWBV-CSORWWAUSA-N 1 0 546.718 6.166 1 0 KKAFRO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)C[NH+]2CCCCC2)c(OC(C)C)c1 ZINC000072113430 562722362 /nfs/dbraw/zinc/72/23/62/562722362.db2.gz GYKYDSMPLXRLJJ-CONSDPRKSA-N 1 0 580.556 7.347 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)OCC[NH+](C)C)c(OC(C)C)c1 ZINC000072114294 562722671 /nfs/dbraw/zinc/72/26/71/562722671.db2.gz UNDGFWXBHFJPGJ-VSGBNLITSA-N 1 0 570.517 7.032 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114413 562722696 /nfs/dbraw/zinc/72/26/96/562722696.db2.gz WOGKCIBQOVBCSQ-YVKQOKMRSA-N 1 0 532.773 5.778 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114662 562722774 /nfs/dbraw/zinc/72/27/74/562722774.db2.gz FBPGDQUARYSAKT-YVKQOKMRSA-N 1 0 517.758 7.016 1 0 KKAFRO COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116870 562723265 /nfs/dbraw/zinc/72/32/65/562723265.db2.gz KARUXZXCMYDGFU-YJKPGEFOSA-N 1 0 549.539 5.002 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CC1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000072118598 562723605 /nfs/dbraw/zinc/72/36/05/562723605.db2.gz GAXACNNUIGDQNV-AREMUKBSSA-N 1 0 514.695 5.408 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@@H](CCC[NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119034 562723770 /nfs/dbraw/zinc/72/37/70/562723770.db2.gz WDRRPXSNQZKAPJ-KQZWIPHESA-N 1 0 658.848 5.185 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](CCCC[NH3+])NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119047 562723788 /nfs/dbraw/zinc/72/37/88/562723788.db2.gz HEWBYZPOUNEUEA-BIWUZHOCSA-N 1 0 672.875 5.575 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](CCC[NH3+])NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119053 562723789 /nfs/dbraw/zinc/72/37/89/562723789.db2.gz WDRRPXSNQZKAPJ-UNHDOIQYSA-N 1 0 658.848 5.185 1 0 KKAFRO COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000072119684 562723818 /nfs/dbraw/zinc/72/38/18/562723818.db2.gz IQODIBKUVNSSRJ-ZWVRTZEQSA-N 1 0 624.609 6.143 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072120147 562723948 /nfs/dbraw/zinc/72/39/48/562723948.db2.gz AZWDZDHCJRDAAZ-KWRMZWAXSA-N 1 0 686.004 5.835 3 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000072122012 562724327 /nfs/dbraw/zinc/72/43/27/562724327.db2.gz KTOLAWMRFLMANX-PQKZQXQFSA-N 1 0 683.812 6.814 3 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123640 562724794 /nfs/dbraw/zinc/72/47/94/562724794.db2.gz MFOSXQZBPFJMMX-ZOYWYXQUSA-N 1 0 633.447 7.344 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123720 562724869 /nfs/dbraw/zinc/72/48/69/562724869.db2.gz MEAVCUVGGFTUOL-FSGZAOGXSA-N 1 0 659.728 7.501 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)nc2)c(=O)c2c(Cl)cccc12 ZINC000072126257 562725304 /nfs/dbraw/zinc/72/53/04/562725304.db2.gz VRIFYSIPJVANGN-HHHXNRCGSA-N 1 0 542.083 5.536 1 0 KKAFRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(NS(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[C@H](O)c1ccccc1 ZINC000072126793 562725352 /nfs/dbraw/zinc/72/53/52/562725352.db2.gz CWZXBJMDDIOGRX-YBBGPBPVSA-N 1 0 651.776 7.939 1 0 KKAFRO CCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC000072126771 562725373 /nfs/dbraw/zinc/72/53/73/562725373.db2.gz NBCAOCVSBZCMGG-PDHQKIGBSA-N 1 0 718.339 5.369 1 0 KKAFRO COc1cc(/C=C/C[NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127859 562725935 /nfs/dbraw/zinc/72/59/35/562725935.db2.gz UOLSADPZLIMASE-MJNGIACSSA-N 1 0 567.661 5.939 3 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-n2nc(C(F)(F)F)c3ccccc3c2=O)cc1 ZINC000072127862 562725955 /nfs/dbraw/zinc/72/59/55/562725955.db2.gz VNLSNQVRNZHOET-MUUNZHRXSA-N 1 0 560.620 6.198 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128788 562726330 /nfs/dbraw/zinc/72/63/30/562726330.db2.gz ZMTRPPZPJFXNFP-WNQXLSPZSA-N 1 0 680.041 6.331 3 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)Cc6ccccc6C(F)(F)F)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129871 562726536 /nfs/dbraw/zinc/72/65/36/562726536.db2.gz YTWWSBXEMIYTEK-NGZBDLKASA-N 1 0 644.888 8.265 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129963 562726671 /nfs/dbraw/zinc/72/66/71/562726671.db2.gz VOFKKBAFIPWOBQ-ULJKERAFSA-N 1 0 646.257 6.078 1 0 KKAFRO COC(=O)c1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000072132816 562726899 /nfs/dbraw/zinc/72/68/99/562726899.db2.gz MMFIYNUWNAVWBL-VKGTZQKMSA-N 1 0 638.514 7.235 1 0 KKAFRO O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072134242 562727285 /nfs/dbraw/zinc/72/72/85/562727285.db2.gz OSVALWLNHLDLEM-VIDGLSEISA-N 1 0 615.574 5.731 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072135900 562727669 /nfs/dbraw/zinc/72/76/69/562727669.db2.gz PBMKPKLGLMSGEU-FYQCMVGJSA-N 1 0 589.552 5.142 3 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000072136523 562728004 /nfs/dbraw/zinc/72/80/04/562728004.db2.gz DICSNASCOVLQDJ-NUNJUMJCSA-N 1 0 664.819 6.406 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137488 562728231 /nfs/dbraw/zinc/72/82/31/562728231.db2.gz RZTCCTLWYPHIEV-ZYADHFCISA-N 1 0 676.053 6.857 3 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCCC1 ZINC000072136967 562728263 /nfs/dbraw/zinc/72/82/63/562728263.db2.gz JYTODPBMQZNZIN-WISKXVKBSA-N 1 0 676.053 6.857 3 0 KKAFRO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072137745 562728401 /nfs/dbraw/zinc/72/84/01/562728401.db2.gz INJVJPYETILOTK-DHUJRADRSA-N 1 0 554.694 7.054 3 0 KKAFRO COc1cc(OC)nc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccc(F)cc2)n1 ZINC000072137838 562728439 /nfs/dbraw/zinc/72/84/39/562728439.db2.gz YSZYSSFEWCOCJD-SSEXGKCCSA-N 1 0 556.638 5.543 3 0 KKAFRO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139366 562728888 /nfs/dbraw/zinc/72/88/88/562728888.db2.gz DLDMNWMLAYLBII-GDLZYMKVSA-N 1 0 534.487 6.538 3 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000072142667 562729608 /nfs/dbraw/zinc/72/96/08/562729608.db2.gz JTUCFEJWRAFYDC-QFIPXVFZSA-N 1 0 528.600 5.467 1 0 KKAFRO COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144112 562729689 /nfs/dbraw/zinc/72/96/89/562729689.db2.gz KYSNZZSMILMJBY-ACHIHNKUSA-N 1 0 695.857 6.581 3 0 KKAFRO COc1cc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144110 562729692 /nfs/dbraw/zinc/72/96/92/562729692.db2.gz KYSNZZSMILMJBY-AJQTZOPKSA-N 1 0 695.857 6.581 3 0 KKAFRO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000072147594 562729759 /nfs/dbraw/zinc/72/97/59/562729759.db2.gz XLGOYEKHMOPYTH-IZLXSDGUSA-N 1 0 674.069 6.371 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147602 562729760 /nfs/dbraw/zinc/72/97/60/562729760.db2.gz UWLUSIMCHSRWEH-FTJBHMTQSA-N 1 0 702.586 5.997 1 0 KKAFRO CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147665 562729783 /nfs/dbraw/zinc/72/97/83/562729783.db2.gz FWJNQLUVJYSKHC-IZLXSDGUSA-N 1 0 659.054 6.586 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000072147741 562729858 /nfs/dbraw/zinc/72/98/58/562729858.db2.gz GZQYUIFEHOFDNJ-FTJBHMTQSA-N 1 0 728.039 7.261 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC5CC[NH2+]CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171871 562730532 /nfs/dbraw/zinc/73/05/32/562730532.db2.gz RPCDVGFPRFJWNM-UHFFFAOYSA-N 1 0 544.604 5.177 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OCCC[NH+](C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172023 562730606 /nfs/dbraw/zinc/73/06/06/562730606.db2.gz UAVFNCMTZVNJSL-UHFFFAOYSA-N 1 0 546.620 5.377 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172040 562730613 /nfs/dbraw/zinc/73/06/13/562730613.db2.gz NFNRBWZDIGKKNZ-XMMPIXPASA-N 1 0 558.631 5.520 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4C[NH+]4CCCC4)cc3OC(F)(F)F)nc1-2 ZINC000072176394 562731608 /nfs/dbraw/zinc/73/16/08/562731608.db2.gz WZZWJWWPQJVGAJ-MHZLTWQESA-N 1 0 716.809 6.695 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1 ZINC000072180032 562732472 /nfs/dbraw/zinc/73/24/72/562732472.db2.gz YWOPAHYTILKORW-MUUNZHRXSA-N 1 0 572.458 7.944 1 0 KKAFRO Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000072181231 562732632 /nfs/dbraw/zinc/73/26/32/562732632.db2.gz LEOYSIFOGSUSDO-KLNWSHEISA-N 1 0 641.621 5.754 1 0 KKAFRO Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000072181234 562732667 /nfs/dbraw/zinc/73/26/67/562732667.db2.gz LEOYSIFOGSUSDO-VSVFEKSVSA-N 1 0 641.621 5.754 1 0 KKAFRO C[NH+](C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O ZINC000072318122 562733225 /nfs/dbraw/zinc/73/32/25/562733225.db2.gz SIUIQMQVKUUQQF-UHFFFAOYSA-N 1 0 554.544 5.233 1 0 in-vitro KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073159904 562733987 /nfs/dbraw/zinc/73/39/87/562733987.db2.gz IIYULCFWAWIAEA-UHFFFAOYSA-N 1 0 631.202 6.827 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000073165119 562734389 /nfs/dbraw/zinc/73/43/89/562734389.db2.gz MOOUNTOBBABIFU-FFFDTLNISA-N 1 0 519.089 5.243 1 0 KKAFRO O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073170096 562734903 /nfs/dbraw/zinc/73/49/03/562734903.db2.gz QWXMZVFLKUQTRP-WJOKGBTCSA-N 1 0 570.680 5.927 1 0 KKAFRO C[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073195686 562734953 /nfs/dbraw/zinc/73/49/53/562734953.db2.gz DLTKOAHMDSNZNU-FJAIAPLPSA-N 1 0 509.616 6.542 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196030 562735021 /nfs/dbraw/zinc/73/50/21/562735021.db2.gz PDJAYZAJEHUMDM-PDUOMFTASA-N 1 0 538.614 5.007 1 0 KKAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073196976 562735240 /nfs/dbraw/zinc/73/52/40/562735240.db2.gz FSJPGPCOOZZWOK-JGCGQSQUSA-N 1 0 623.625 5.653 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000073197652 562735412 /nfs/dbraw/zinc/73/54/12/562735412.db2.gz GJLNDEKDUVZOPE-LEWJYISDSA-N 1 0 561.506 6.011 1 0 KKAFRO C[C@H](Nc1cc(N2CCC[C@@H]([N@@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198248 562735605 /nfs/dbraw/zinc/73/56/05/562735605.db2.gz FJAVFDVEPOTXLF-WXVAWEFUSA-N 1 0 525.100 6.392 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4)c4c(c3=O)CCCC4)CC2)c1 ZINC000073218943 562736153 /nfs/dbraw/zinc/73/61/53/562736153.db2.gz IYYLTRDURGLWFR-UHFFFAOYSA-N 1 0 519.089 5.671 1 0 KKAFRO C[N@@H+]1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1I)c1ccccc1 ZINC000073221289 562736282 /nfs/dbraw/zinc/73/62/82/562736282.db2.gz NVMKECIXYGQWGJ-HKUYNNGSSA-N 1 0 502.318 5.265 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5ccc(Cl)cn5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073221158 562736300 /nfs/dbraw/zinc/73/63/00/562736300.db2.gz FQBHXDNBIARQPD-FPNNDXFKSA-N 1 0 565.183 6.075 1 0 KKAFRO O=C([C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Br)CCC2)C[C@@H]1c1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000073224646 562736738 /nfs/dbraw/zinc/73/67/38/562736738.db2.gz PVLWNYFCJZEJFC-DSNGMDLFSA-N 1 0 614.053 6.829 1 0 KKAFRO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(C)ccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073239778 562736814 /nfs/dbraw/zinc/73/68/14/562736814.db2.gz XHHVRKUFLGSPRF-XNFLFYSQSA-N 1 0 584.786 6.476 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280283 562737470 /nfs/dbraw/zinc/73/74/70/562737470.db2.gz XXWFSNOROXVFAO-UMSFTDKQSA-N 1 0 620.835 5.038 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)cc1 ZINC000073292523 562737519 /nfs/dbraw/zinc/73/75/19/562737519.db2.gz YNPVBCBDMGLBTR-DEOSSOPVSA-N 1 0 508.367 7.503 1 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2coc3c(Cl)cccc3c2=O)c1 ZINC000073389125 562738586 /nfs/dbraw/zinc/73/85/86/562738586.db2.gz JRHYUDHUBOPSER-GDLZYMKVSA-N 1 0 527.064 6.907 1 0 KKAFRO Cc1nc(Oc2ccc(CC(=O)NC(C)C)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136642 562738988 /nfs/dbraw/zinc/73/89/88/562738988.db2.gz JSGGZDCNIKOIQC-DHUJRADRSA-N 1 0 696.799 6.274 1 0 KKAFRO Cc1cc(NC(=O)N(c2cccc(F)c2)C2CC[NH+](Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O ZINC000082138055 562739138 /nfs/dbraw/zinc/73/91/38/562739138.db2.gz NILDQHLXZPEZHS-UHFFFAOYSA-N 1 0 661.760 5.198 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N(Cc2ccccc2F)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1 ZINC000082138087 562739189 /nfs/dbraw/zinc/73/91/89/562739189.db2.gz QANAVHYSZWKRTD-UHFFFAOYSA-N 1 0 696.752 5.769 1 0 KKAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140160 562739334 /nfs/dbraw/zinc/73/93/34/562739334.db2.gz FLPGMOMOSYEXAP-MUUNZHRXSA-N 1 0 661.030 5.066 1 0 KKAFRO CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082140225 562739355 /nfs/dbraw/zinc/73/93/55/562739355.db2.gz HJYICCQACOCTRF-XNJLXZFGSA-N 1 0 692.820 5.178 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140241 562739383 /nfs/dbraw/zinc/73/93/83/562739383.db2.gz RTTAIAHOSBNNAG-UGPXBYQESA-N 1 0 706.847 5.568 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140235 562739414 /nfs/dbraw/zinc/73/94/14/562739414.db2.gz RTTAIAHOSBNNAG-RWZIJFFTSA-N 1 0 706.847 5.568 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140457 562739476 /nfs/dbraw/zinc/73/94/76/562739476.db2.gz NCLGXQKSEWVACV-LXAAXOQISA-N 1 0 740.820 5.210 1 0 KKAFRO Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H]([N@@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150341 562739822 /nfs/dbraw/zinc/73/98/22/562739822.db2.gz YBSRGQCJZVKVHS-DLLPINGYSA-N 1 0 625.608 7.090 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082150990 562739840 /nfs/dbraw/zinc/73/98/40/562739840.db2.gz KRTZTABXRLIXPM-UXHICEINSA-N 1 0 547.479 5.621 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164944 562741358 /nfs/dbraw/zinc/74/13/58/562741358.db2.gz ANPQBASXSZBVPK-FJQKOURKSA-N 1 0 709.852 5.249 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170266 562741441 /nfs/dbraw/zinc/74/14/41/562741441.db2.gz QGOMFWNTZLMDCP-HJIQQCSTSA-N 1 0 721.888 5.119 1 0 KKAFRO COc1cccc2c1CCN(CC[NH+]1CCC(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)cc3)CC1)C2 ZINC000084382963 562742906 /nfs/dbraw/zinc/74/29/06/562742906.db2.gz PKZYJGNKGPOSAE-UHFFFAOYSA-N 1 0 538.519 5.922 1 0 KKAFRO O=C1c2cc(Cl)nnc2Oc2cc(C(F)(F)F)ccc2N1CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000084403311 562742974 /nfs/dbraw/zinc/74/29/74/562742974.db2.gz UMBLPNXEWGBWHW-UHFFFAOYSA-N 1 0 608.064 6.699 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)N(C)CC3 ZINC000084403323 562743005 /nfs/dbraw/zinc/74/30/05/562743005.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 1 0 729.712 8.273 1 0 KKAFRO COc1cc(NCCCCCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2nccc(C)c2c1 ZINC000084462543 562743203 /nfs/dbraw/zinc/74/32/03/562743203.db2.gz KPMSPSJBBJXIQQ-UHFFFAOYSA-N 1 0 501.502 6.653 1 0 KKAFRO CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1)c1ccccc1 ZINC000084567239 562743386 /nfs/dbraw/zinc/74/33/86/562743386.db2.gz SNTMWNQBAMYSJI-BKZBWYIUSA-N 1 0 734.938 5.567 1 0 KKAFRO COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)cc(=O)c2cc1OC ZINC000084587122 562743514 /nfs/dbraw/zinc/74/35/14/562743514.db2.gz RUIHUOCBRFKOJD-UHFFFAOYSA-N 1 0 654.635 8.507 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000084587671 562743547 /nfs/dbraw/zinc/74/35/47/562743547.db2.gz PQVFHJADTQQVLM-ONPYCXCXSA-N 1 0 566.806 6.559 1 0 KKAFRO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595514 562743611 /nfs/dbraw/zinc/74/36/11/562743611.db2.gz JLVJXUOOJFCQIH-GCFSYYHISA-N 1 0 602.795 6.178 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2cc4ccccc4o2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084596571 562743713 /nfs/dbraw/zinc/74/37/13/562743713.db2.gz UVVUDKUDTQSDGP-UHFFFAOYSA-N 1 0 558.610 6.959 1 0 KKAFRO COc1cc(C(=O)N(CC[C@@H]2CCC[N@@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000084615741 562744514 /nfs/dbraw/zinc/74/45/14/562744514.db2.gz QUPDLXCNMYTGQL-KUDIEGTJSA-N 1 0 538.582 5.900 1 0 KKAFRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NCCNC(=O)C[NH3+])CC[C@]23C)C1(C)C ZINC000084617100 562744737 /nfs/dbraw/zinc/74/47/37/562744737.db2.gz OKZQOUFSPFMLSQ-ZDIFQBRASA-N 1 0 597.885 5.767 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1CCCF)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000084619390 562745245 /nfs/dbraw/zinc/74/52/45/562745245.db2.gz IVMLOYVNMOLMQQ-UHFFFAOYSA-N 1 0 533.665 6.977 1 0 KKAFRO COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc(=O)c2c1 ZINC000084619770 562745318 /nfs/dbraw/zinc/74/53/18/562745318.db2.gz SXRQIJKFEIRDFT-UHFFFAOYSA-N 1 0 590.164 7.845 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2F)n1 ZINC000084635284 562746151 /nfs/dbraw/zinc/74/61/51/562746151.db2.gz STSLNBQVJVSGNZ-BJKOFHAPSA-N 1 0 559.076 6.472 1 0 KKAFRO Cc1cc(C[NH+](C)C)sc1-c1cnc(N)c(-c2ccc(C(N)=O)c(O[C@@H](C)c3ccccc3C(F)(F)F)c2)c1 ZINC000084654427 562747245 /nfs/dbraw/zinc/74/72/45/562747245.db2.gz OQOJDWGAZXHBJD-KRWDZBQOSA-N 1 0 554.638 6.687 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000084668726 562747695 /nfs/dbraw/zinc/74/76/95/562747695.db2.gz HXIOWWFZWFQOMH-UHFFFAOYSA-N 1 0 696.812 6.962 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC)c3)cc2C(F)(F)F)CC1 ZINC000084669028 562747876 /nfs/dbraw/zinc/74/78/76/562747876.db2.gz WVTRAYQNVKHUMI-UHFFFAOYSA-N 1 0 536.602 5.680 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084669975 562748153 /nfs/dbraw/zinc/74/81/53/562748153.db2.gz FBDZRCHYMODSJZ-BBANNHEPSA-N 1 0 559.076 6.472 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccccn2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670676 562748389 /nfs/dbraw/zinc/74/83/89/562748389.db2.gz BFVFPTVOMISHBH-YHZWMNSLSA-N 1 0 687.820 5.498 1 0 KKAFRO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084671342 562748514 /nfs/dbraw/zinc/74/85/14/562748514.db2.gz PGPJDRQJYRXXAU-DMDYGQEQSA-N 1 0 506.653 6.689 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 ZINC000084689053 562749296 /nfs/dbraw/zinc/74/92/96/562749296.db2.gz QQLLOGOAVLVOAD-FBLLAGFSSA-N 1 0 632.774 6.320 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000084704984 562749882 /nfs/dbraw/zinc/74/98/82/562749882.db2.gz AQKOLUZKBNCOKF-HOKHCIIBSA-N 1 0 606.755 5.889 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084706738 562750020 /nfs/dbraw/zinc/75/00/20/562750020.db2.gz FHQLDERKOWHENA-CBZWUMFZSA-N 1 0 616.803 6.258 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4cccc(-c5cncnc5)c4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084709046 562750249 /nfs/dbraw/zinc/75/02/49/562750249.db2.gz OLNMTGSIKLTZCY-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccc(-c5ncccn5)cc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710705 562750584 /nfs/dbraw/zinc/75/05/84/562750584.db2.gz VMBVYIUKVXLQTB-YTTGMZPUSA-N 1 0 563.061 6.364 1 0 KKAFRO CN(C(=O)OC[C@@H]([C@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084711087 562750596 /nfs/dbraw/zinc/75/05/96/562750596.db2.gz HHTALOQRPXAMIG-IDISGSTGSA-N 1 0 506.647 5.437 1 0 KKAFRO CN(C(=O)OC[C@@H]([C@@H]1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084711083 562750614 /nfs/dbraw/zinc/75/06/14/562750614.db2.gz HHTALOQRPXAMIG-ZBLYBZFDSA-N 1 0 506.647 5.437 1 0 KKAFRO Cc1nc(CCN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084712449 562750804 /nfs/dbraw/zinc/75/08/04/562750804.db2.gz RBBHEFMAJYTTHI-UMSFTDKQSA-N 1 0 613.872 8.139 1 0 KKAFRO C[NH2+]C[C@H](C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084714528 562750993 /nfs/dbraw/zinc/75/09/93/562750993.db2.gz CAEAUJBXUZVJDA-IAYPMUAMSA-N 1 0 697.874 5.813 1 0 KKAFRO CN(C)c1ccc(-c2cc(-c3ccc(C(=O)N4CCCCC4)s3)cc(-c3ccc(N(C)C)cc3)[s+]2)cc1 ZINC000084740495 562752078 /nfs/dbraw/zinc/75/20/78/562752078.db2.gz WUXWMCGRMPCYRG-UHFFFAOYSA-N 1 0 528.767 7.850 1 0 KKAFRO CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084742426 562752229 /nfs/dbraw/zinc/75/22/29/562752229.db2.gz ALAOJFCEUYZLEH-FBLLAGFSSA-N 1 0 592.728 5.544 1 0 KKAFRO CC[N@H+](C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc43)c(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000084756782 562752289 /nfs/dbraw/zinc/75/22/89/562752289.db2.gz FWXODUHNWANOFN-UHFFFAOYSA-N 1 0 555.610 5.368 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084759515 562752996 /nfs/dbraw/zinc/75/29/96/562752996.db2.gz UFTNQLWBDGPHQT-ISCCLHIJSA-N 1 0 532.010 5.264 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH+](C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000089780657 562753658 /nfs/dbraw/zinc/75/36/58/562753658.db2.gz DUYYJZWJGLQXPZ-KDXMTYKHSA-N 1 0 631.816 9.123 1 0 KKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+](C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000089780656 562753687 /nfs/dbraw/zinc/75/36/87/562753687.db2.gz DUYYJZWJGLQXPZ-LDLOPFEMSA-N 1 0 631.816 9.123 1 0 KKAFRO COc1cccc(CNC(=O)c2cnc(N3CCN(C4CC[NH+](Cc5ccc(Cl)cc5)CC4)CC3)c(Cl)c2)c1 ZINC000095536697 562754049 /nfs/dbraw/zinc/75/40/49/562754049.db2.gz JUMRVKLXUFVLMR-UHFFFAOYSA-N 1 0 568.549 5.114 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccc(N3CCN(C4CC[NH+](C)CC4)CC3)nc21 ZINC000095536928 562754281 /nfs/dbraw/zinc/75/42/81/562754281.db2.gz PYWQGBFKHNQBOD-UHFFFAOYSA-N 1 0 773.851 6.416 1 0 KKAFRO C[C@H](NC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095539333 562755001 /nfs/dbraw/zinc/75/50/01/562755001.db2.gz YMSMUBIIQQDAFR-UYCCPRBBSA-N 1 0 816.893 6.563 1 0 KKAFRO CC[NH+](CC)C[C@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540207 562755582 /nfs/dbraw/zinc/75/55/82/562755582.db2.gz KVUNLHHSMXAIAJ-BVGRYSDNSA-N 1 0 761.540 7.207 1 0 KKAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1F)CC1(CCC1)O2 ZINC000095555964 562761658 /nfs/dbraw/zinc/76/16/58/562761658.db2.gz BYTJKUAXMDZACZ-GMQQYTKMSA-N 1 0 564.677 5.082 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 ZINC000095556452 562761776 /nfs/dbraw/zinc/76/17/76/562761776.db2.gz BNNGWNXPMYMWRI-HXUWFJFHSA-N 1 0 555.148 5.515 1 0 KKAFRO CCCCc1nc(-c2ccc(OC[C@@H]3CCC[N@H+](CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558458 562762436 /nfs/dbraw/zinc/76/24/36/562762436.db2.gz JUZYFJPCVFWDLS-XMMPIXPASA-N 1 0 561.191 9.376 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(C)=O)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095558771 562762558 /nfs/dbraw/zinc/76/25/58/562762558.db2.gz VMPIXQIKGNKAMT-UHFFFAOYSA-N 1 0 582.652 5.725 1 0 KKAFRO CCCCc1sc(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095562856 562763790 /nfs/dbraw/zinc/76/37/90/562763790.db2.gz MZMBNNNRTKGFAI-UHFFFAOYSA-N 1 0 592.205 8.961 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC(C)(C)[NH2+]C(C)(C)C4)cn3)cc2)no1 ZINC000095564159 562764194 /nfs/dbraw/zinc/76/41/94/562764194.db2.gz PBNPHBXRMOAALS-UHFFFAOYSA-N 1 0 534.661 5.951 1 0 KKAFRO Cc1csc2n1cc(CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)[n+]2Cc1ccc(Cl)cc1 ZINC000095564172 562764233 /nfs/dbraw/zinc/76/42/33/562764233.db2.gz XCBLMGUSEAEAND-PMERELPUSA-O 1 0 661.204 5.618 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566567 562765057 /nfs/dbraw/zinc/76/50/57/562765057.db2.gz MXAUBRBUARVCOA-QLVXXPONSA-N 1 0 598.666 5.630 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095567636 562765963 /nfs/dbraw/zinc/76/59/63/562765963.db2.gz LMVYLEREBXGKHC-XUJRGEPCSA-N 1 0 652.792 6.413 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095567701 562766048 /nfs/dbraw/zinc/76/60/48/562766048.db2.gz XOJDVVMUWTXSDO-DGHZZKTQSA-N 1 0 670.855 5.256 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567763 562766066 /nfs/dbraw/zinc/76/60/66/562766066.db2.gz IXNRSUPNSZLJQC-VQDACHMZSA-N 1 0 700.840 6.670 1 0 KKAFRO 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 ZINC000095567790 562766076 /nfs/dbraw/zinc/76/60/76/562766076.db2.gz UZEHIQNFVBKJCC-RYOMNGFGSA-N 1 0 676.839 7.207 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567976 562766239 /nfs/dbraw/zinc/76/62/39/562766239.db2.gz AXAKNSSSVDKLRR-GJCZEXATSA-N 1 0 599.772 6.350 1 0 KKAFRO 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 ZINC000095568189 562766382 /nfs/dbraw/zinc/76/63/82/562766382.db2.gz NGQWRAJVXVPGQM-LOTJKCTMSA-N 1 0 668.770 5.656 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095568156 562766386 /nfs/dbraw/zinc/76/63/86/562766386.db2.gz GHLGUBAWDNIZDR-ZTNZZFSWSA-N 1 0 557.691 5.180 1 0 KKAFRO 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 ZINC000095568184 562766397 /nfs/dbraw/zinc/76/63/97/562766397.db2.gz GFVNWDBMZVYSCS-BBUMLKAKSA-N 1 0 694.833 5.455 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568287 562766425 /nfs/dbraw/zinc/76/64/25/562766425.db2.gz JQXCVRFSCSGTFT-NPKFRGRUSA-N 1 0 634.626 5.384 1 0 KKAFRO 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(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568341 562766522 /nfs/dbraw/zinc/76/65/22/562766522.db2.gz CZGXFYZCYNDJOB-WGKZYHDKSA-N 1 0 752.797 8.296 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568288 562766531 /nfs/dbraw/zinc/76/65/31/562766531.db2.gz IGUFQSLVAOYZBL-PYAKLNENSA-N 1 0 650.742 5.659 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568548 562766718 /nfs/dbraw/zinc/76/67/18/562766718.db2.gz UBMFRUBMXOVEAJ-IKXMMLORSA-N 1 0 605.779 5.816 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568811 562766957 /nfs/dbraw/zinc/76/69/57/562766957.db2.gz BCUCLIMAYGDMQB-ZENPUIFLSA-N 1 0 682.797 5.585 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568897 562766983 /nfs/dbraw/zinc/76/69/83/562766983.db2.gz MGXDQALVEHELJP-WURXVLGASA-N 1 0 620.599 5.455 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568988 562767086 /nfs/dbraw/zinc/76/70/86/562767086.db2.gz OFYJPRSBIVOGOZ-FONBTEPMSA-N 1 0 666.663 6.649 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569658 562767610 /nfs/dbraw/zinc/76/76/10/562767610.db2.gz MXAUBRBUARVCOA-SYZUXVNWSA-N 1 0 598.666 5.630 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570037 562767862 /nfs/dbraw/zinc/76/78/62/562767862.db2.gz UBMFRUBMXOVEAJ-UGIZIUIESA-N 1 0 605.779 5.816 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570369 562768129 /nfs/dbraw/zinc/76/81/29/562768129.db2.gz ANMWFCJWJFPARY-HQPLKVBUSA-N 1 0 660.054 7.151 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570418 562768161 /nfs/dbraw/zinc/76/81/61/562768161.db2.gz WPPOVSPAEBFYOJ-SGQICDRISA-N 1 0 652.748 6.204 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570772 562768476 /nfs/dbraw/zinc/76/84/76/562768476.db2.gz RZMKFQMJULYPIX-VWGARZEKSA-N 1 0 657.833 5.444 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570909 562768595 /nfs/dbraw/zinc/76/85/95/562768595.db2.gz KMMQDOVCDINFEJ-IKXMMLORSA-N 1 0 657.833 5.869 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570995 562768672 /nfs/dbraw/zinc/76/86/72/562768672.db2.gz RBOAJFBNHJWMOW-GLBCCIBASA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571245 562768915 /nfs/dbraw/zinc/76/89/15/562768915.db2.gz PWTWTDDNXRGKGX-RNDKRWLGSA-N 1 0 676.736 7.494 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571264 562768935 /nfs/dbraw/zinc/76/89/35/562768935.db2.gz UUCMFHNJLLHFQV-REYAJUCUSA-N 1 0 598.788 6.160 1 0 KKAFRO Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)OCC[NH+](C)C)c(C)c3)c2)c(C)cc1Cl ZINC000095571596 562769172 /nfs/dbraw/zinc/76/91/72/562769172.db2.gz YAOJYGJVQGNNLZ-QHCPKHFHSA-N 1 0 600.181 5.607 1 0 KKAFRO [NH3+][C@@H](C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1 ZINC000095573011 562769565 /nfs/dbraw/zinc/76/95/65/562769565.db2.gz UEYIAZBJXOAPRD-HHHXNRCGSA-N 1 0 530.525 6.438 1 0 KKAFRO O=S1(=O)CCN(c2ccc3c(cc[nH+]c3Nc3ccc(Cl)c(-c4nc(-c5ccccc5)c[nH]4)c3)c2)CC1 ZINC000095575579 562770380 /nfs/dbraw/zinc/77/03/80/562770380.db2.gz UOIMGERGVYFCHZ-UHFFFAOYSA-N 1 0 530.053 5.924 1 0 KKAFRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095577018 562770829 /nfs/dbraw/zinc/77/08/29/562770829.db2.gz SXLPGHDQPPDONN-SPHVMLLUSA-N 1 0 509.437 5.511 1 0 KKAFRO C[N@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1 ZINC000095578445 562771282 /nfs/dbraw/zinc/77/12/82/562771282.db2.gz YSMXCVGNCVNXGB-UHFFFAOYSA-N 1 0 581.756 9.945 1 0 KKAFRO C[N@@H+]1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588191 562774560 /nfs/dbraw/zinc/77/45/60/562774560.db2.gz RDEMHYKOMLLOPQ-CPESWEKQSA-N 1 0 508.415 6.149 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@@H](O)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588340 562774572 /nfs/dbraw/zinc/77/45/72/562774572.db2.gz NARRGMMZZFHNIL-AREMUKBSSA-N 1 0 538.595 6.557 1 0 KKAFRO CCC[S@](=O)c1csc2cc(-c3[nH]c(-c4ccc(OCC[NH+](C)C)cc4)nc3-c3ccncc3)ccc21 ZINC000095588280 562774607 /nfs/dbraw/zinc/77/46/07/562774607.db2.gz WKLVMJVNYVQWTB-DIPNUNPCSA-N 1 0 530.719 6.478 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)scc4[S@@](C)=O)[nH]2)cc1 ZINC000095589130 562774851 /nfs/dbraw/zinc/77/48/51/562774851.db2.gz RENJVVIMBVMZFF-DHUJRADRSA-N 1 0 502.665 5.698 1 0 KKAFRO C[NH2+]CCCOc1c(Br)cc(-c2cnc(Cl)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000095597295 562777212 /nfs/dbraw/zinc/77/72/12/562777212.db2.gz DXHOFNDWXLXTOB-UHFFFAOYSA-N 1 0 634.594 6.672 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)C[N@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095590834 562775384 /nfs/dbraw/zinc/77/53/84/562775384.db2.gz RTWTTZOCXJIFQF-UHFFFAOYSA-N 1 0 719.835 6.566 1 0 KKAFRO CCCCc1n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(CO)[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095592256 562775839 /nfs/dbraw/zinc/77/58/39/562775839.db2.gz UOAKRJWAQBLEDF-UHFFFAOYSA-N 1 0 623.745 5.401 1 0 KKAFRO COc1cc2c(cc1OC)CN(Cc1ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)cs4)cn3)cc1)CC2 ZINC000095592334 562775896 /nfs/dbraw/zinc/77/58/96/562775896.db2.gz HOCINXKSOFDSJA-UHFFFAOYSA-N 1 0 553.659 7.379 1 0 KKAFRO C[N@@H+]1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596714 562777083 /nfs/dbraw/zinc/77/70/83/562777083.db2.gz KBBGMLWMEQJHMK-QXUSSCGESA-N 1 0 683.853 5.760 1 0 KKAFRO C[N@@H+]1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596713 562777096 /nfs/dbraw/zinc/77/70/96/562777096.db2.gz KBBGMLWMEQJHMK-XEZIGOATSA-N 1 0 683.853 5.760 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CCc1cc2c(cc1-3)OCO2 ZINC000095597586 562777290 /nfs/dbraw/zinc/77/72/90/562777290.db2.gz DUTCTJXHHBIECX-KQNJTRFUSA-N 1 0 526.697 7.886 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095598834 562777574 /nfs/dbraw/zinc/77/75/74/562777574.db2.gz KTOLAWMRFLMANX-GTZOPPDQSA-N 1 0 683.812 6.814 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095599249 562777931 /nfs/dbraw/zinc/77/79/31/562777931.db2.gz JUEHVKXRGUAEIX-ZHBPACGQSA-N 1 0 753.690 8.584 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095599296 562777952 /nfs/dbraw/zinc/77/79/52/562777952.db2.gz XOJDVVMUWTXSDO-XUKQSAIQSA-N 1 0 670.855 5.256 1 0 KKAFRO 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(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095599794 562778307 /nfs/dbraw/zinc/77/83/07/562778307.db2.gz QKQHOPFIEPLIHC-QAAVFVPKSA-N 1 0 689.738 6.914 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599951 562778505 /nfs/dbraw/zinc/77/85/05/562778505.db2.gz RBOAJFBNHJWMOW-ZIZQKJAQSA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095600443 562778903 /nfs/dbraw/zinc/77/89/03/562778903.db2.gz DETSJJCDIRAXSN-RYOMNGFGSA-N 1 0 622.766 6.404 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600589 562779053 /nfs/dbraw/zinc/77/90/53/562779053.db2.gz SIHGKWCNYKQFFR-OYJDADHOSA-N 1 0 652.748 6.204 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600686 562779148 /nfs/dbraw/zinc/77/91/48/562779148.db2.gz MKMSHMRQNRVEBK-GNMOFYLKSA-N 1 0 584.639 5.702 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600708 562779157 /nfs/dbraw/zinc/77/91/57/562779157.db2.gz PIPSXTOHKBCCEO-CZWSTMTISA-N 1 0 702.790 7.416 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095600899 562779312 /nfs/dbraw/zinc/77/93/12/562779312.db2.gz JQAVPWYOCCRIFQ-UHFQAXKXSA-N 1 0 700.840 6.670 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095601246 562779469 /nfs/dbraw/zinc/77/94/69/562779469.db2.gz QMCFBRPLMVFDBX-FXKJGQKXSA-N 1 0 740.285 7.087 1 0 KKAFRO 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(F)cc3)cc2C1=O ZINC000095601285 562779521 /nfs/dbraw/zinc/77/95/21/562779521.db2.gz AFYWTTPVIQZCSA-WBSRRFCYSA-N 1 0 678.802 6.126 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095601275 562779537 /nfs/dbraw/zinc/77/95/37/562779537.db2.gz DWBBIMOOPOSMMP-HQLBTAIYSA-N 1 0 617.549 6.058 1 0 KKAFRO N=c1oc2ccccc2cc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095601579 562779614 /nfs/dbraw/zinc/77/96/14/562779614.db2.gz HSSQZTUBGOSCDN-UHFFFAOYSA-N 1 0 517.427 5.249 1 0 KKAFRO COC(=O)c1cccc(NC(=O)N(CCCN2CC[NH+](C)CC2)CCC(c2ccccc2)c2ccccc2)c1 ZINC000095601800 562779802 /nfs/dbraw/zinc/77/98/02/562779802.db2.gz RSTABTCGQHAJLQ-UHFFFAOYSA-N 1 0 528.697 5.167 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095602696 562780172 /nfs/dbraw/zinc/78/01/72/562780172.db2.gz RBOAJFBNHJWMOW-WYOWBBOASA-N 1 0 684.800 7.277 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000095604589 562781082 /nfs/dbraw/zinc/78/10/82/562781082.db2.gz MSYZRYFFLKTVNU-RUZDIDTESA-N 1 0 527.974 6.509 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095605177 562781433 /nfs/dbraw/zinc/78/14/33/562781433.db2.gz CMTIPOGQFXEGCZ-AWYDNWMNSA-N 1 0 655.840 5.321 1 0 KKAFRO C[C@H](C(=O)Nc1nc([C@@H](CC[N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000095607338 562782754 /nfs/dbraw/zinc/78/27/54/562782754.db2.gz JWKLHPJIQARGDH-ITUMADGPSA-N 1 0 740.814 9.020 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782773 /nfs/dbraw/zinc/78/27/73/562782773.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 1 0 526.725 5.539 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607372 562782785 /nfs/dbraw/zinc/78/27/85/562782785.db2.gz HRDRRQHMSIEVHO-ILJQZKEFSA-N 1 0 543.777 6.739 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(c3c4ccc(F)cc4sc3C(=O)NCCN3CCOCC3)CC2)C1 ZINC000095607449 562782834 /nfs/dbraw/zinc/78/28/34/562782834.db2.gz ZKSYZVAXPFGQBT-UHFFFAOYSA-N 1 0 776.923 5.572 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000095608707 562783662 /nfs/dbraw/zinc/78/36/62/562783662.db2.gz OSTNHMODDQIWKV-HUESYALOSA-N 1 0 757.936 5.794 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095608706 562783677 /nfs/dbraw/zinc/78/36/77/562783677.db2.gz NUKQDDDIEUKMIF-WBCKFURZSA-N 1 0 757.936 5.658 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000095615593 562787381 /nfs/dbraw/zinc/78/73/81/562787381.db2.gz FVHNVQXWBIUQGH-ZGIBFIJWSA-N 1 0 513.682 5.414 1 0 KKAFRO CCc1sc(C[NH+](CCCNc2cc(=O)c3ccccc3[nH]2)Cc2sc(CC)c(Br)c2-c2ccsc2)c(-c2ccsc2)c1Br ZINC000095616668 562787857 /nfs/dbraw/zinc/78/78/57/562787857.db2.gz DKOJABJBDZJEOA-UHFFFAOYSA-N 1 0 787.734 11.262 1 0 KKAFRO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670056 562788236 /nfs/dbraw/zinc/78/82/36/562788236.db2.gz DTCLOSIOZCFUAJ-YWEHKCAJSA-N 1 0 515.572 6.180 1 0 KKAFRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670066 562788269 /nfs/dbraw/zinc/78/82/69/562788269.db2.gz UZVLCYSJIDJZJW-WNJJXGMVSA-N 1 0 509.568 6.741 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809901 562789251 /nfs/dbraw/zinc/78/92/51/562789251.db2.gz AOGINIYPPPQZNW-AODHNJGLSA-N 1 0 702.856 5.546 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095822859 562789278 /nfs/dbraw/zinc/78/92/78/562789278.db2.gz JQXCVRFSCSGTFT-VDZJOXJSSA-N 1 0 634.626 5.384 1 0 KKAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3nccs3)CC2)CN(Cc2ccc(Cl)cc2)[C@H]1CO ZINC000095867895 562789885 /nfs/dbraw/zinc/78/98/85/562789885.db2.gz ZKLYAUHYXNYSSM-DEOSSOPVSA-N 1 0 523.102 5.369 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)nc12 ZINC000096167719 562790528 /nfs/dbraw/zinc/79/05/28/562790528.db2.gz YESWYKJMEYTXTR-UHFFFAOYSA-N 1 0 523.468 5.677 1 0 KKAFRO CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169824 562790833 /nfs/dbraw/zinc/79/08/33/562790833.db2.gz FWQZNEMAOKLNKT-UHFFFAOYSA-N 1 0 552.601 5.046 1 0 KKAFRO c1[nH]c2ccccc2c1C1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174119 562791730 /nfs/dbraw/zinc/79/17/30/562791730.db2.gz YYUWCOPBCNKXLK-UHFFFAOYSA-N 1 0 523.644 6.914 1 0 KKAFRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174150 562791771 /nfs/dbraw/zinc/79/17/71/562791771.db2.gz OATAUDKPSYOYAH-UHFFFAOYSA-N 1 0 557.658 5.456 1 0 KKAFRO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174201 562791789 /nfs/dbraw/zinc/79/17/89/562791789.db2.gz FSTCYTJKYVEAES-LDLOPFEMSA-N 1 0 668.802 5.552 1 0 KKAFRO COCC[NH+]1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175775 562791965 /nfs/dbraw/zinc/79/19/65/562791965.db2.gz GBJRKMAQFYMVGO-UHFFFAOYSA-N 1 0 693.896 5.183 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@H]5CC[N@H+](C)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175757 562791969 /nfs/dbraw/zinc/79/19/69/562791969.db2.gz FJWLTICFCATXQI-NRFANRHFSA-N 1 0 617.776 5.426 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)C[NH+](C)C)CC1)C2 ZINC000096177891 562792416 /nfs/dbraw/zinc/79/24/16/562792416.db2.gz NMOIPXYFJUUAQM-UHFFFAOYSA-N 1 0 684.263 5.095 1 0 KKAFRO COCC[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4[nH]nc(-c5ccccc5)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177918 562792474 /nfs/dbraw/zinc/79/24/74/562792474.db2.gz IZMNYQZVCNPRRF-UHFFFAOYSA-N 1 0 697.906 7.611 1 0 KKAFRO Cc1cc(Nc2nc3n[nH]cc3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000096177903 562792495 /nfs/dbraw/zinc/79/24/95/562792495.db2.gz ONNXBOWOUKAJBU-MUUNZHRXSA-N 1 0 675.778 6.220 1 0 KKAFRO C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269474 562792949 /nfs/dbraw/zinc/79/29/49/562792949.db2.gz VGCARQWJPMTGRS-LJAQVGFWSA-N 1 0 684.853 8.959 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269481 562792967 /nfs/dbraw/zinc/79/29/67/562792967.db2.gz HVGOKDSSQHDHOP-GDLZYMKVSA-N 1 0 684.853 8.959 1 0 KKAFRO C[C@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269470 562792969 /nfs/dbraw/zinc/79/29/69/562792969.db2.gz KZCQJHOZUQOHSD-VWLOTQADSA-N 1 0 628.745 7.399 1 0 KKAFRO C[C@@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccccc2)c(F)c1 ZINC000096269489 562792979 /nfs/dbraw/zinc/79/29/79/562792979.db2.gz LIUKBAIABYHLPL-XMMPIXPASA-N 1 0 523.696 7.812 1 0 KKAFRO CC(C)CC[NH+]1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1 ZINC000096269940 562793100 /nfs/dbraw/zinc/79/31/00/562793100.db2.gz ONNPFSWGMGWOBX-UHFFFAOYSA-N 1 0 562.730 8.091 1 0 KKAFRO CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096269950 562793112 /nfs/dbraw/zinc/79/31/12/562793112.db2.gz QOSLZXBFHVKKRI-UHFFFAOYSA-N 1 0 535.692 7.138 1 0 KKAFRO C[C@@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270069 562793145 /nfs/dbraw/zinc/79/31/45/562793145.db2.gz FBWXOUBMHZMKRS-RUZDIDTESA-N 1 0 628.745 7.399 1 0 KKAFRO C[C@@H](C(=O)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270059 562793172 /nfs/dbraw/zinc/79/31/72/562793172.db2.gz PDRXQFWLPWJYCL-HSZRJFAPSA-N 1 0 600.691 6.619 1 0 KKAFRO Cc1cc(-c2cc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000096270656 562793285 /nfs/dbraw/zinc/79/32/85/562793285.db2.gz AEOFEGDYORZHFE-UHFFFAOYSA-N 1 0 570.698 5.314 1 0 in-vitro KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270762 562793337 /nfs/dbraw/zinc/79/33/37/562793337.db2.gz JUNYZZIFXGBUIR-UHFFFAOYSA-N 1 0 708.190 8.034 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271294 562793751 /nfs/dbraw/zinc/79/37/51/562793751.db2.gz KNXIYURWALEHNQ-UHFFFAOYSA-N 1 0 555.166 8.530 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271285 562793764 /nfs/dbraw/zinc/79/37/64/562793764.db2.gz PPNZONQLHPXNIG-UHFFFAOYSA-N 1 0 597.247 9.700 1 0 KKAFRO O=C(CN1CC[NH+](CCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271829 562793879 /nfs/dbraw/zinc/79/38/79/562793879.db2.gz RFMLTHAJELVKLQ-UHFFFAOYSA-N 1 0 616.762 6.302 1 0 KKAFRO O=C(CN1CC[NH+](CCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271831 562793933 /nfs/dbraw/zinc/79/39/33/562793933.db2.gz CTGCJJGSKOQITO-UHFFFAOYSA-N 1 0 630.789 6.692 1 0 KKAFRO C[NH+](C)CCOc1cccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)c1 ZINC000096272640 562794169 /nfs/dbraw/zinc/79/41/69/562794169.db2.gz VQLNOPOZCKAEHI-UHFFFAOYSA-N 1 0 536.636 6.129 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096272778 562794189 /nfs/dbraw/zinc/79/41/89/562794189.db2.gz MFPZJISOIZABEX-UHFFFAOYSA-N 1 0 573.163 5.772 1 0 KKAFRO COCC[NH+]1CCC(c2cc(OC(C)C)c(Nc3ncc(C)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272793 562794276 /nfs/dbraw/zinc/79/42/76/562794276.db2.gz UYBILPBKQDAXTL-UHFFFAOYSA-N 1 0 595.810 6.376 1 0 KKAFRO COc1ccc(Cl)c([C@@H](C)Oc2c3occ(-c4cnn(C5CC[NH2+]CC5)c4)c3cnc2N)c1Cl ZINC000096273071 562794384 /nfs/dbraw/zinc/79/43/84/562794384.db2.gz FYROKEXISSVRSS-CYBMUJFWSA-N 1 0 502.402 5.653 1 0 KKAFRO COc1ccccc1-c1ccc(CNc2nc(NC3CCC([NH3+])CC3)nc3c2ncn3C2CCCC2)cn1 ZINC000096273144 562794403 /nfs/dbraw/zinc/79/44/03/562794403.db2.gz KNVALAXZMVAWCG-UHFFFAOYSA-N 1 0 512.662 5.306 1 0 KKAFRO C[NH+](C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1 ZINC000096282442 562794649 /nfs/dbraw/zinc/79/46/49/562794649.db2.gz NNTPSCNDUJZDFV-UHFFFAOYSA-N 1 0 524.876 6.995 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000096284293 562795056 /nfs/dbraw/zinc/79/50/56/562795056.db2.gz UGBQKYVMRZGCSO-CWDLOFLHSA-N 1 0 526.565 7.203 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000096284290 562795069 /nfs/dbraw/zinc/79/50/69/562795069.db2.gz VZEPXQHWBQOJPA-VWNXMTODSA-N 1 0 500.527 6.368 1 0 KKAFRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 ZINC000096284308 562795072 /nfs/dbraw/zinc/79/50/72/562795072.db2.gz CYOPVJNXOHCGAT-NOOIUNMQSA-N 1 0 526.565 7.121 1 0 KKAFRO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096284318 562795130 /nfs/dbraw/zinc/79/51/30/562795130.db2.gz HGIIMDRTEYJJSV-DBTWGZIYSA-N 1 0 556.591 7.211 1 0 KKAFRO CC[N@@H+]1CCn2c(cnc2[C@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284738 562795291 /nfs/dbraw/zinc/79/52/91/562795291.db2.gz VEWKJXMBTJTFJT-LJAQVGFWSA-N 1 0 579.705 5.045 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 ZINC000096285344 562795537 /nfs/dbraw/zinc/79/55/37/562795537.db2.gz BLLNKFHFWKLHQV-FIPFOOKPSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000096285345 562795551 /nfs/dbraw/zinc/79/55/51/562795551.db2.gz QQPGVUMKWQYOEK-GIGWZHCTSA-N 1 0 574.169 6.004 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285385 562795561 /nfs/dbraw/zinc/79/55/61/562795561.db2.gz RQYNLNIHIFFLTK-RLWLMLJZSA-N 1 0 572.219 6.198 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000096285380 562795564 /nfs/dbraw/zinc/79/55/64/562795564.db2.gz DVECZYIFQCYTKG-LJAQVGFWSA-N 1 0 592.228 6.623 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285387 562795578 /nfs/dbraw/zinc/79/55/78/562795578.db2.gz RQYNLNIHIFFLTK-QFQXNSOFSA-N 1 0 572.219 6.198 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 ZINC000096285374 562795580 /nfs/dbraw/zinc/79/55/80/562795580.db2.gz NKOHPZAPXOVEEK-FIPFOOKPSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285369 562795582 /nfs/dbraw/zinc/79/55/82/562795582.db2.gz VXUHJSADHJEBBJ-PIKZIKFNSA-N 1 0 567.178 5.531 1 0 KKAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1 ZINC000096285399 562795620 /nfs/dbraw/zinc/79/56/20/562795620.db2.gz GXAULSHQHOUJMH-HKBQPEDESA-N 1 0 583.733 5.164 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000096285415 562795634 /nfs/dbraw/zinc/79/56/34/562795634.db2.gz OBLSTCGAGZPSCE-LYZGTLIUSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1ccccc1[C@@H]1CN(C2CCCCC2)C(=O)N1C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000096285425 562795660 /nfs/dbraw/zinc/79/56/60/562795660.db2.gz MZSUZRLLPGOZDL-BTYSJIOQSA-N 1 0 546.760 5.186 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 ZINC000096285403 562795670 /nfs/dbraw/zinc/79/56/70/562795670.db2.gz UPDSQDKCTCPMPO-FIPFOOKPSA-N 1 0 582.189 5.230 1 0 KKAFRO C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@@]4(C)CO)[NH+](C)C ZINC000096902438 562797414 /nfs/dbraw/zinc/79/74/14/562797414.db2.gz BGXQOXKJFCPHSX-PYEPTCAQSA-N 1 0 626.882 6.982 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CC1CC[NH2+]CC1)C3 ZINC000096906049 562798646 /nfs/dbraw/zinc/79/86/46/562798646.db2.gz FOXHYCXGLCVFMK-JVOKKMTMSA-N 1 0 548.856 8.738 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(C1CC[NH+](Cc2ccccc2)CC1)C3 ZINC000096907149 562799045 /nfs/dbraw/zinc/79/90/45/562799045.db2.gz XMGWHBFXOJMIJQ-XSTLDGTKSA-N 1 0 610.927 10.095 1 0 KKAFRO CC(C)[NH+](CCNCc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(C)C ZINC000096909021 562799508 /nfs/dbraw/zinc/79/95/08/562799508.db2.gz AYKNQTYEAOSVOS-UHFFFAOYSA-N 1 0 747.907 7.746 1 0 KKAFRO COc1ccc(C[C@@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913940 562800551 /nfs/dbraw/zinc/80/05/51/562800551.db2.gz MMCZBTWRJUEGHU-SSEXGKCCSA-N 1 0 587.761 5.035 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c3ccccc3n2)c1 ZINC000096927181 562802601 /nfs/dbraw/zinc/80/26/01/562802601.db2.gz PUERIBZMSUVWSF-UHFFFAOYSA-N 1 0 686.784 8.906 1 0 KKAFRO Cc1c(C(=O)NC2CCN(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@H+]5C)[C@H]3O7)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000096929008 562802990 /nfs/dbraw/zinc/80/29/90/562802990.db2.gz UHHKCSQQAAQGFS-OWZNZNQXSA-N 1 0 792.164 6.270 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3C)ccn2)cc1F ZINC000096932317 562803341 /nfs/dbraw/zinc/80/33/41/562803341.db2.gz KLVOHYIGTKDTDT-UHFFFAOYSA-N 1 0 606.698 7.662 1 0 KKAFRO Fc1ccc(-c2ccc3c(c2)n(CCC[NH+]2CCCCC2)cc/c3=N\c2ccc(-c3ccccc3)cc2)cc1 ZINC000096932534 562803434 /nfs/dbraw/zinc/80/34/34/562803434.db2.gz ZEMNGCUCGIEULF-NFSLGCCLSA-N 1 0 515.676 8.223 1 0 KKAFRO NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000096937286 562804177 /nfs/dbraw/zinc/80/41/77/562804177.db2.gz ZZKJYWJMKZJTKA-UHFFFAOYSA-N 1 0 582.057 5.383 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937558 562804285 /nfs/dbraw/zinc/80/42/85/562804285.db2.gz ISIUJCSWBKYRAX-UHFFFAOYSA-N 1 0 578.548 5.750 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000096937803 562804368 /nfs/dbraw/zinc/80/43/68/562804368.db2.gz WADKCQYSBYIOSO-VTZPFEBOSA-N 1 0 546.983 7.466 1 0 KKAFRO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143534820 562835138 /nfs/dbraw/zinc/83/51/38/562835138.db2.gz YUANQCCFWPCCDL-WDSKDSINSA-N 1 0 545.899 5.295 1 0 KKAFRO [NH3+][C@@H]1CC=CC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143597154 562835204 /nfs/dbraw/zinc/83/52/04/562835204.db2.gz PCYIUCLPLHBZKW-PHDIDXHHSA-N 1 0 543.883 5.071 1 0 KKAFRO O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000096941794 562805065 /nfs/dbraw/zinc/80/50/65/562805065.db2.gz MCVRVJVTDQSDFC-WJOKGBTCSA-N 1 0 565.710 5.804 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)C(CCCCC)C1C(=O)OCCc1ccc(N(C)C)cc1 ZINC000100033949 562806230 /nfs/dbraw/zinc/80/62/30/562806230.db2.gz JSKRAXYURWRRRD-LBCAVENHSA-N 1 0 561.767 6.878 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000100675952 562807228 /nfs/dbraw/zinc/80/72/28/562807228.db2.gz BQSJCIXGGLTIQT-LJAQVGFWSA-N 1 0 501.542 8.705 1 0 KKAFRO Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1 ZINC000100933874 562808543 /nfs/dbraw/zinc/80/85/43/562808543.db2.gz PPQZSANXKNWEAE-UHFFFAOYSA-N 1 0 510.683 6.286 1 0 KKAFRO CC(C)(Cc1ccccn1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101056201 562808938 /nfs/dbraw/zinc/80/89/38/562808938.db2.gz BTXOZSOPQCVUNK-DLLPINGYSA-N 1 0 531.660 5.878 1 0 KKAFRO CCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3)cc2)c(N)nc1=N ZINC000101113868 562809240 /nfs/dbraw/zinc/80/92/40/562809240.db2.gz MYCWAORGIRSDBN-UHFFFAOYSA-O 1 0 504.618 5.088 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000101134431 562809390 /nfs/dbraw/zinc/80/93/90/562809390.db2.gz SVJJDCWBAXTWLW-QJXXMTQOSA-N 1 0 526.508 6.748 1 0 KKAFRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 ZINC000101132130 562809402 /nfs/dbraw/zinc/80/94/02/562809402.db2.gz WDZOSSNSOBKEMP-MEMLXQNLSA-N 1 0 561.066 5.759 1 0 KKAFRO Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@H]46)C7)c-3nc21 ZINC000101279629 562810213 /nfs/dbraw/zinc/81/02/13/562810213.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 1 0 562.758 6.877 1 0 KKAFRO Cc1nnc(C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 ZINC000101330432 562810333 /nfs/dbraw/zinc/81/03/33/562810333.db2.gz IYPBMBFFXYLGOM-LIONHTAISA-N 1 0 503.613 5.275 1 0 KKAFRO Cn1cccc1CC(C)(C)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101418004 562810641 /nfs/dbraw/zinc/81/06/41/562810641.db2.gz NHDYXZJYFQTNSS-DLLPINGYSA-N 1 0 533.676 5.822 1 0 KKAFRO COc1ccc(C[C@H]2CC(=O)N(c3ccccc3C(=O)OC[C@@H]3CCC[N@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000101645536 562811532 /nfs/dbraw/zinc/81/15/32/562811532.db2.gz UNYHZMFOWCLOMI-IZLXSDGUSA-N 1 0 554.687 5.319 1 0 KKAFRO Cc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186208 562815449 /nfs/dbraw/zinc/81/54/49/562815449.db2.gz XGZNTWHKFBUAJJ-UMSFTDKQSA-N 1 0 580.197 8.258 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](C[C@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103187769 562815506 /nfs/dbraw/zinc/81/55/06/562815506.db2.gz WYQIZJIQGCPDDP-QHCPKHFHSA-N 1 0 579.564 5.733 1 0 KKAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000103187891 562815540 /nfs/dbraw/zinc/81/55/40/562815540.db2.gz MDLPRFCPQXSMDU-UHFFFAOYSA-N 1 0 615.723 6.289 1 0 KKAFRO C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000103224739 562817600 /nfs/dbraw/zinc/81/76/00/562817600.db2.gz NJLGJIVVVAPJOY-VMWKKPLTSA-N 1 0 542.630 5.046 1 0 KKAFRO CC[NH+](CC)CCn1c2ccccc2c2c1-c1cc(C(C)C)ccc1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]21 ZINC000103224866 562817629 /nfs/dbraw/zinc/81/76/29/562817629.db2.gz DJIXVKIYGGLUHH-JORIVFIJSA-N 1 0 500.727 7.492 1 0 KKAFRO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CC[NH+]3CCN(C)CC3)[C@@H]12 ZINC000103224892 562817636 /nfs/dbraw/zinc/81/76/36/562817636.db2.gz UMSIRVRZLBFUBM-SNTUXTEOSA-N 1 0 527.753 6.397 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103225005 562817647 /nfs/dbraw/zinc/81/76/47/562817647.db2.gz WNZDUGWDHNSPHZ-XDZXDJIYSA-N 1 0 527.704 5.993 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103225003 562817659 /nfs/dbraw/zinc/81/76/59/562817659.db2.gz WNZDUGWDHNSPHZ-GWMMUDDPSA-N 1 0 527.704 5.993 1 0 KKAFRO CC(C)(C)C[N@@H+]1CCC[C@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226396 562817835 /nfs/dbraw/zinc/81/78/35/562817835.db2.gz MKZHQZOOENCXQI-SSEXGKCCSA-N 1 0 552.641 7.761 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103235737 562818741 /nfs/dbraw/zinc/81/87/41/562818741.db2.gz USAXVIXBYKTAEI-KUMHGWDASA-N 1 0 547.187 7.163 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2cccc([C@@H]3C[C@](C)(c4ccccc4)c4cc(C(N)=[NH2+])ccc4N3)c2)c(C(=O)[O-])c1 ZINC000103240991 562819567 /nfs/dbraw/zinc/81/95/67/562819567.db2.gz OEWWUNXHZFVOFC-BZKUTMRRSA-N 1 0 518.661 6.260 1 0 KKAFRO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCCCC[NH+]4CCCCC4)cc3o2)cc1 ZINC000103241413 562819580 /nfs/dbraw/zinc/81/95/80/562819580.db2.gz JPZMMIMCBUXAEK-UHFFFAOYSA-N 1 0 504.715 7.512 1 0 KKAFRO COc1ccccc1N1CCN(Cc2ccc3c(c2)CO[C@]3(CCC[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000103245927 562819834 /nfs/dbraw/zinc/81/98/34/562819834.db2.gz IIJNYIWCIATESA-WJOKGBTCSA-N 1 0 503.662 5.272 1 0 KKAFRO O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 ZINC000103252131 562820398 /nfs/dbraw/zinc/82/03/98/562820398.db2.gz HHXPKPNUSUKOKK-YIPGRGJBSA-N 1 0 527.665 6.014 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3cnc(Cl)cc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254002 562820633 /nfs/dbraw/zinc/82/06/33/562820633.db2.gz CGCOPBXAGSCZNX-FNQJWKMRSA-N 1 0 614.505 5.024 1 0 KKAFRO O=C(Nc1cnc2cccnn21)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103258668 562821070 /nfs/dbraw/zinc/82/10/70/562821070.db2.gz YKYQFSJFOAUBLA-UHFFFAOYSA-N 1 0 503.006 5.305 1 0 KKAFRO CN1CC[NH+](CCn2c(-c3cc4ccc(Br)cc4[nH]3)cc3cc(Br)ccc32)CC1 ZINC000103259870 562821161 /nfs/dbraw/zinc/82/11/61/562821161.db2.gz IWQVTTUKONPQIB-UHFFFAOYSA-N 1 0 516.281 5.562 1 0 KKAFRO Cc1nc2cccnc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C(=O)OCc1ccc(F)cc1)c1ccccc1 ZINC000103260350 562821168 /nfs/dbraw/zinc/82/11/68/562821168.db2.gz YVHPYZYYBYBDEI-PUHABZHSSA-N 1 0 512.629 5.964 1 0 KKAFRO O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000103261488 562821457 /nfs/dbraw/zinc/82/14/57/562821457.db2.gz BXWNFSDIKPXQSG-MUUNZHRXSA-N 1 0 530.635 5.243 1 0 KKAFRO O=C(Nc1ccc(-n2cccn2)nc1)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263321 562821719 /nfs/dbraw/zinc/82/17/19/562821719.db2.gz YOZMCCHEMVOISV-UHFFFAOYSA-N 1 0 529.044 5.843 1 0 KKAFRO Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264945 562822049 /nfs/dbraw/zinc/82/20/49/562822049.db2.gz NTXAORZHWVUPBL-KAYWLYCHSA-N 1 0 601.673 7.887 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268300 562822628 /nfs/dbraw/zinc/82/26/28/562822628.db2.gz BVBKKSBNHAKHEX-FJQKOURKSA-N 1 0 646.902 5.289 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268258 562822631 /nfs/dbraw/zinc/82/26/31/562822631.db2.gz ORQLPHMUPMGJPQ-DITALETJSA-N 1 0 632.875 5.246 1 0 KKAFRO O=c1oc2cc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c(Cl)cc2c2c1CCC2 ZINC000103268635 562822679 /nfs/dbraw/zinc/82/26/79/562822679.db2.gz SNVSEFAOXLDCIZ-UHFFFAOYSA-N 1 0 510.993 6.254 1 0 KKAFRO C(=C/c1ccccc1)\CO[C@H]1C=C2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC/C=C/c1ccccc1)OCO5 ZINC000103268959 562822733 /nfs/dbraw/zinc/82/27/33/562822733.db2.gz XSLZOZSGRGKSCS-VSONBLFFSA-N 1 0 519.641 6.224 1 0 KKAFRO CN(C(=O)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000103283317 562823688 /nfs/dbraw/zinc/82/36/88/562823688.db2.gz MWKDCAHKUKXUGT-NLDZOOGBSA-N 1 0 547.537 6.282 1 0 KKAFRO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283370 562823696 /nfs/dbraw/zinc/82/36/96/562823696.db2.gz FHIVYCWZQDBZIS-FCEKVYKBSA-N 1 0 533.510 5.939 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000103288966 562823996 /nfs/dbraw/zinc/82/39/96/562823996.db2.gz LTZLIPPPJDGWCO-XIFFEERXSA-N 1 0 598.187 6.336 1 0 KKAFRO COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000103290499 562824074 /nfs/dbraw/zinc/82/40/74/562824074.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 1 0 624.734 6.565 1 0 KKAFRO CC[N@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000103297193 562824602 /nfs/dbraw/zinc/82/46/02/562824602.db2.gz YLTIESVKMHXFAD-UHFFFAOYSA-N 1 0 603.045 6.773 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2CCCC(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300076 562824900 /nfs/dbraw/zinc/82/49/00/562824900.db2.gz GTWMZDSMZWCFBR-UHFFFAOYSA-N 1 0 544.671 7.251 1 0 in-vitro KKAFRO CC[N@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1cccc(OC)c1 ZINC000103299666 562824903 /nfs/dbraw/zinc/82/49/03/562824903.db2.gz PPOSVTRUDAFCMW-BUHFOSPRSA-N 1 0 503.683 7.344 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000113697286 562826680 /nfs/dbraw/zinc/82/66/80/562826680.db2.gz URICTYNITRPTLS-WINIVTDRSA-N 1 0 524.521 6.401 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)cn4)c3c2)cc(Cl)c1O ZINC000114035699 562827050 /nfs/dbraw/zinc/82/70/50/562827050.db2.gz BXSZISRMJBDTIP-UHFFFAOYSA-N 1 0 530.028 5.410 1 0 KKAFRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000114099621 562827655 /nfs/dbraw/zinc/82/76/55/562827655.db2.gz IETSSHMCIVYCEF-JOCHJYFZSA-N 1 0 517.066 5.025 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114099872 562827685 /nfs/dbraw/zinc/82/76/85/562827685.db2.gz UMBAXYUNLBBCLW-RUZDIDTESA-N 1 0 524.105 5.890 1 0 KKAFRO O=S1(=O)NCc2ccccc2N1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000114817045 562828491 /nfs/dbraw/zinc/82/84/91/562828491.db2.gz HCTNFBFUQNHVMO-UHFFFAOYSA-N 1 0 511.638 5.196 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccc(Cl)c1 ZINC000114978508 562828563 /nfs/dbraw/zinc/82/85/63/562828563.db2.gz WALPPLJUPQTGIH-SANMLTNESA-N 1 0 531.505 5.659 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccc2cccnc21 ZINC000114978485 562828588 /nfs/dbraw/zinc/82/85/88/562828588.db2.gz VETJCMJGXSPEPZ-LJAQVGFWSA-N 1 0 548.108 5.554 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Oc2ccccc2)nc1 ZINC000114981654 562828715 /nfs/dbraw/zinc/82/87/15/562828715.db2.gz RFZLDEVIOGAXDV-WJOKGBTCSA-N 1 0 590.145 6.193 1 0 KKAFRO Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(Cl)c4c3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000116946531 562829626 /nfs/dbraw/zinc/82/96/26/562829626.db2.gz ZIRNDUAARHAZAY-UHFFFAOYSA-N 1 0 623.157 5.270 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CC[NH+](C)CC2)cc1Cl ZINC000117323465 562829727 /nfs/dbraw/zinc/82/97/27/562829727.db2.gz HLJCVRXGZMOFDS-UHFFFAOYSA-N 1 0 523.477 5.426 1 0 KKAFRO CCCNc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000117340431 562829745 /nfs/dbraw/zinc/82/97/45/562829745.db2.gz FPFJBHOZHYHVRJ-MUUNZHRXSA-N 1 0 555.144 5.223 1 0 KKAFRO CC(C)c1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)cs1 ZINC000117883541 562829943 /nfs/dbraw/zinc/82/99/43/562829943.db2.gz UINBBGMOCCFITL-UHFFFAOYSA-N 1 0 598.777 5.068 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[N@H+](C)C3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789665 562830550 /nfs/dbraw/zinc/83/05/50/562830550.db2.gz FMWULHHMNFVCEP-ZLEIESQFSA-N 1 0 576.181 6.983 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([N@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789039 562830576 /nfs/dbraw/zinc/83/05/76/562830576.db2.gz JHUAOSPKENTLLI-AZRWZDCJSA-N 1 0 618.262 8.070 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793934 562830621 /nfs/dbraw/zinc/83/06/21/562830621.db2.gz CQVINMJHLMFOCD-QKUPIINXSA-N 1 0 618.218 7.114 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888864 562831644 /nfs/dbraw/zinc/83/16/44/562831644.db2.gz IXCMBYPRCXSXPO-WADZXKEOSA-N 1 0 627.870 5.332 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[C@H]([NH+](C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138961107 562832228 /nfs/dbraw/zinc/83/22/28/562832228.db2.gz PANUCCHSDROJBK-FREGXXQWSA-N 1 0 533.680 5.466 1 0 KKAFRO C[NH+](C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](NC(=O)c3cccc4[nH]cnc43)CC2)c1 ZINC000139543034 562832589 /nfs/dbraw/zinc/83/25/89/562832589.db2.gz SHSLIWBXBWXQAH-PLQXJYEYSA-N 1 0 622.701 5.795 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CC[NH2+]CC2)cc1Cl ZINC000140248151 562832965 /nfs/dbraw/zinc/83/29/65/562832965.db2.gz JEXUGPIZWWTQHG-UHFFFAOYSA-N 1 0 523.477 5.474 1 0 KKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140551864 562833154 /nfs/dbraw/zinc/83/31/54/562833154.db2.gz BFYZNAOKDWKLBO-BVAGGSTKSA-N 1 0 584.683 5.616 1 0 KKAFRO C[N@@H+]1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140560930 562833178 /nfs/dbraw/zinc/83/31/78/562833178.db2.gz LBGJNSVXUMNZLY-HQDRYFOSSA-N 1 0 539.664 5.649 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000140609968 562833225 /nfs/dbraw/zinc/83/32/25/562833225.db2.gz JSSODELTBWXHJL-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C)c[nH]2)c1 ZINC000141469279 562833601 /nfs/dbraw/zinc/83/36/01/562833601.db2.gz PJNZMRYWHMYPCK-MHZLTWQESA-N 1 0 501.606 6.196 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141390130 562833618 /nfs/dbraw/zinc/83/36/18/562833618.db2.gz SUMWDCGPFDCEIK-HQDRYFOSSA-N 1 0 539.664 5.649 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000141658508 562833652 /nfs/dbraw/zinc/83/36/52/562833652.db2.gz KVCYIWOEUBVMDH-XTEPFMGCSA-N 1 0 551.716 5.854 1 0 KKAFRO Cc1c(C)c2c(c(C)c1CCCCCC[NH3+])CC[C@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142238150 562834049 /nfs/dbraw/zinc/83/40/49/562834049.db2.gz YBXFBWAHFAGTFE-BMZLMQSUSA-N 1 0 536.738 6.502 1 0 KKAFRO Cc1c(C)c2c(c(C)c1CCCCCC[NH3+])CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000142232450 562834082 /nfs/dbraw/zinc/83/40/82/562834082.db2.gz UPIQNDZYPVLCPV-IENUPWEYSA-N 1 0 522.711 6.160 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)NC)c[nH]2)c1 ZINC000142512594 562834224 /nfs/dbraw/zinc/83/42/24/562834224.db2.gz LMQZDDQSYCTDFJ-MHZLTWQESA-N 1 0 544.631 5.247 1 0 KKAFRO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc2)nc2ncc(Br)n21 ZINC000143020232 562834489 /nfs/dbraw/zinc/83/44/89/562834489.db2.gz OEULVKFFXFWPQV-UHFFFAOYSA-N 1 0 592.505 5.647 1 0 KKAFRO CCOc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143080638 562834540 /nfs/dbraw/zinc/83/45/40/562834540.db2.gz VLNICWLFZDRKPX-UHFFFAOYSA-N 1 0 563.706 5.142 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)C1CCC1 ZINC000143047657 562834553 /nfs/dbraw/zinc/83/45/53/562834553.db2.gz ADBFPMOOTMNMLW-SQHAQQRYSA-N 1 0 537.553 5.581 1 0 KKAFRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143086776 562834599 /nfs/dbraw/zinc/83/45/99/562834599.db2.gz ZJDZASRBTICTFV-UHFFFAOYSA-N 1 0 574.129 5.366 1 0 KKAFRO COc1cc(N2CC[NH+](C3CCN(C(C)=O)CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143107096 562834613 /nfs/dbraw/zinc/83/46/13/562834613.db2.gz JBRCSLRQHLPZBV-UHFFFAOYSA-N 1 0 641.220 5.105 1 0 KKAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(Cl)c1)CC2 ZINC000143107555 562834633 /nfs/dbraw/zinc/83/46/33/562834633.db2.gz ZPBFFDZENYVNHX-UHFFFAOYSA-N 1 0 558.130 5.503 1 0 KKAFRO [NH3+]C1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(CO)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143445773 562835039 /nfs/dbraw/zinc/83/50/39/562835039.db2.gz ZLNUDOMARPPZJG-UHFFFAOYSA-N 1 0 514.604 6.853 1 0 KKAFRO C[NH+](C)[C@H]1CCCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143506415 562835088 /nfs/dbraw/zinc/83/50/88/562835088.db2.gz KVHQBPAYZDWWPB-ZETCQYMHSA-N 1 0 559.926 5.143 1 0 KKAFRO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143535213 562835114 /nfs/dbraw/zinc/83/51/14/562835114.db2.gz YUANQCCFWPCCDL-PHDIDXHHSA-N 1 0 545.899 5.295 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc([C@H]3CC[N@@H+](C)C3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354491 562836132 /nfs/dbraw/zinc/83/61/32/562836132.db2.gz LGQOJDDTQJSHAG-SANMLTNESA-N 1 0 504.634 6.230 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(-c3ccccc3)c2)C(C)C)ccc1OC ZINC000144839031 562836680 /nfs/dbraw/zinc/83/66/80/562836680.db2.gz SLZAUJBJBWFYSU-BHDXBOSCSA-N 1 0 546.708 5.433 1 0 KKAFRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145961496 562837817 /nfs/dbraw/zinc/83/78/17/562837817.db2.gz MSULTFPSAMYWKE-OAHLLOKOSA-N 1 0 590.002 5.565 1 0 KKAFRO COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]3[C@H]2CCC[C@H]3[NH+]2CCCC2)cc1 ZINC000145957422 562837854 /nfs/dbraw/zinc/83/78/54/562837854.db2.gz QBCJXEWVKYBDNG-STROYTFGSA-N 1 0 516.513 5.274 1 0 KKAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)Cc5ccccc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000146066355 562838060 /nfs/dbraw/zinc/83/80/60/562838060.db2.gz JJNYCNLVKLXLOS-OZXSUGGESA-N 1 0 568.684 5.357 1 0 KKAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146077915 562838207 /nfs/dbraw/zinc/83/82/07/562838207.db2.gz BNSZJMNILCRKPZ-UHFFFAOYSA-N 1 0 556.589 5.156 1 0 KKAFRO CC(=O)Nc1cc(Oc2ccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCC[NH+](C)C)cc2C)ccn1 ZINC000146165863 562838331 /nfs/dbraw/zinc/83/83/31/562838331.db2.gz MEZJAJUCIVBWKG-UHFFFAOYSA-N 1 0 526.037 5.365 1 0 KKAFRO CC(C)CC(=O)Nc1sc2nc(N3CCC(COCC[NH+]4CCCC4)CC3)ncc2c1-c1ccccc1 ZINC000146564477 562838712 /nfs/dbraw/zinc/83/87/12/562838712.db2.gz KBKRSGKSTCYSEU-UHFFFAOYSA-N 1 0 521.731 5.672 1 0 KKAFRO C#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146640554 562838738 /nfs/dbraw/zinc/83/87/38/562838738.db2.gz LKTYDICGLDSANZ-SSOJOUAXSA-N 1 0 525.005 6.840 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000146815906 562838841 /nfs/dbraw/zinc/83/88/41/562838841.db2.gz AMISYPQMTJLNGZ-MUUNZHRXSA-N 1 0 514.695 6.426 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148143817 562840292 /nfs/dbraw/zinc/84/02/92/562840292.db2.gz VBNBODOFWOSZTI-UHFFFAOYSA-N 1 0 550.589 5.405 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148146104 562840328 /nfs/dbraw/zinc/84/03/28/562840328.db2.gz CFQSUCPXBREQIB-UHFFFAOYSA-N 1 0 625.725 5.294 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148154823 562840348 /nfs/dbraw/zinc/84/03/48/562840348.db2.gz HXJRCAAOVRWVFS-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148162914 562840429 /nfs/dbraw/zinc/84/04/29/562840429.db2.gz HGBAMBQUQCBTAG-LJQANCHMSA-N 1 0 610.641 5.132 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148168060 562840431 /nfs/dbraw/zinc/84/04/31/562840431.db2.gz MQAHZVKSBBDGDS-FQEVSTJZSA-N 1 0 623.684 5.189 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148200169 562840492 /nfs/dbraw/zinc/84/04/92/562840492.db2.gz PTOGDTYQTBVVES-UHFFFAOYSA-N 1 0 571.007 5.538 1 0 KKAFRO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCC[N@H+](C)CC4)nc32)c1 ZINC000148201160 562840525 /nfs/dbraw/zinc/84/05/25/562840525.db2.gz VHQWWJWIZHVKPG-UHFFFAOYSA-N 1 0 554.699 5.172 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148197654 562840539 /nfs/dbraw/zinc/84/05/39/562840539.db2.gz ZKUKDIUTJSYXGK-UHFFFAOYSA-N 1 0 619.774 5.434 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148220311 562840599 /nfs/dbraw/zinc/84/05/99/562840599.db2.gz CXJGNWFRIHJUQR-UHFFFAOYSA-N 1 0 605.747 5.044 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C(C)C)CC5)nc43)c2)cc1C(F)(F)F 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ZINC000148756790 562841801 /nfs/dbraw/zinc/84/18/01/562841801.db2.gz RPUSLEYUMRGACQ-UHFFFAOYSA-N 1 0 612.159 5.869 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000148839348 562841876 /nfs/dbraw/zinc/84/18/76/562841876.db2.gz IWFLCYONAPPRPA-DEOSSOPVSA-N 1 0 526.121 5.390 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148878762 562841882 /nfs/dbraw/zinc/84/18/82/562841882.db2.gz WSFCSRFSULFQNX-SANMLTNESA-N 1 0 508.106 6.433 1 0 KKAFRO CO[C@@H]1COCC[C@@H]1[N@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 ZINC000150107728 562842855 /nfs/dbraw/zinc/84/28/55/562842855.db2.gz ABWDLWYDMCTIDD-BBVXKGOHSA-N 1 0 589.621 5.198 1 0 KKAFRO COC(=O)c1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6([NH3+])CCC6)cc5)nc4c3c2)c1 ZINC000150260783 562843042 /nfs/dbraw/zinc/84/30/42/562843042.db2.gz JBWNOZGGWOQTJQ-UHFFFAOYSA-N 1 0 524.624 7.008 1 0 KKAFRO COc1ncccc1-c1c2nc(Nc3cc(F)c(C4CC[NH+](C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000150302107 562843062 /nfs/dbraw/zinc/84/30/62/562843062.db2.gz JOSMUINAEBUKID-UHFFFAOYSA-N 1 0 550.660 5.340 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCNc5ccnc6cc(Cl)ccc65)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000150532524 562843839 /nfs/dbraw/zinc/84/38/39/562843839.db2.gz DNAOPRONASISLI-WSWGHJNFSA-N 1 0 652.320 8.048 1 0 KKAFRO O[C@H](CNCC[NH2+]C[C@@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150557899 562844788 /nfs/dbraw/zinc/84/47/88/562844788.db2.gz FHSJCBHOLCFCCC-ROJLCIKYSA-N 1 0 856.288 7.550 1 0 KKAFRO COc1ccc([C@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588790 562846060 /nfs/dbraw/zinc/84/60/60/562846060.db2.gz DEHAHKKDJRYULL-JGBHCADMSA-N 1 0 801.930 6.270 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CC2(C[NH2+]C2)C[C@@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C ZINC000150602072 562847278 /nfs/dbraw/zinc/84/72/78/562847278.db2.gz HYCFQLFXXDLCPF-SNSGHMKVSA-N 1 0 779.943 5.422 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CC6(C[NH2+]C6)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C ZINC000150602070 562847291 /nfs/dbraw/zinc/84/72/91/562847291.db2.gz HYCFQLFXXDLCPF-BBACVFHCSA-N 1 0 779.943 5.422 1 0 KKAFRO C[NH+]1CCN(c2cccc(F)c2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606273 562847865 /nfs/dbraw/zinc/84/78/65/562847865.db2.gz HRPFCELYJVARIK-HKFHRXRESA-N 1 0 664.892 5.428 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616941 562848813 /nfs/dbraw/zinc/84/88/13/562848813.db2.gz QWLVQDXAULJUAE-ISJPQVSQSA-N 1 0 708.003 5.437 1 0 KKAFRO CN(CC[NH+](C)C)c1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)nc1 ZINC000164292203 562849600 /nfs/dbraw/zinc/84/96/00/562849600.db2.gz HMSYIVTUBHNPQF-UHFFFAOYSA-N 1 0 644.817 5.209 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000165277017 562850048 /nfs/dbraw/zinc/85/00/48/562850048.db2.gz XAHDWKRJQIMXIT-QHCPKHFHSA-N 1 0 637.686 5.822 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc[nH]cc-6n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166612711 562850469 /nfs/dbraw/zinc/85/04/69/562850469.db2.gz RDOJFQLFFRWLME-UHFFFAOYSA-N 1 0 500.610 5.418 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000167025573 562850599 /nfs/dbraw/zinc/85/05/99/562850599.db2.gz WZUHEGHSWVPEGA-RUZDIDTESA-N 1 0 580.586 5.778 1 0 KKAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12 ZINC000167034150 562850622 /nfs/dbraw/zinc/85/06/22/562850622.db2.gz RPNCUMDQEOYYNO-AREMUKBSSA-N 1 0 594.613 6.168 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+][C@@H](c2ccccc2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000167778418 562851077 /nfs/dbraw/zinc/85/10/77/562851077.db2.gz WQZCMLRWVAQNJN-PUTKSNFBSA-N 1 0 568.476 5.239 1 0 KKAFRO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCN5CCC([NH+]6CCCC6)CC5)cc4)c3)CC2)nn1C ZINC000167928913 562851119 /nfs/dbraw/zinc/85/11/19/562851119.db2.gz UCFLPCZZROQSNW-AQOUDTPCSA-N 1 0 707.895 6.296 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000167987689 562851210 /nfs/dbraw/zinc/85/12/10/562851210.db2.gz NFVITLLJLGIYLY-QEAWBRDWSA-N 1 0 543.499 5.284 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000168137016 562851269 /nfs/dbraw/zinc/85/12/69/562851269.db2.gz CGHYLCYZIDWPLW-GJEQZTTHSA-N 1 0 541.618 5.601 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293598 562852097 /nfs/dbraw/zinc/85/20/97/562852097.db2.gz HLMMHUFTDWSTBP-FGZHOGPDSA-N 1 0 504.631 5.159 1 0 KKAFRO CC[NH+]1CCN(CN2C(=O)S[C@@H](N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000169298827 562852691 /nfs/dbraw/zinc/85/26/91/562852691.db2.gz MVJZVYGZPFMUAF-IXCJQBJRSA-N 1 0 548.112 5.261 1 0 KKAFRO CC(C)CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300829 562852831 /nfs/dbraw/zinc/85/28/31/562852831.db2.gz SIZIBPAHPIUMOL-MXSCXNJPSA-N 1 0 536.713 5.421 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000169304937 562853391 /nfs/dbraw/zinc/85/33/91/562853391.db2.gz LLQVXLJTBVDOQF-SANMLTNESA-N 1 0 541.545 6.003 3 0 KKAFRO O=C([C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306840 562853621 /nfs/dbraw/zinc/85/36/21/562853621.db2.gz YHHSAOLWFULNPC-SAIUNTKASA-N 1 0 553.121 6.956 1 0 KKAFRO Clc1ccc(-c2cc([C@@H]3CC[C@H]([NH+]4CCOCC4)C[C@H]3c3ccc(Br)cc3)[nH]n2)cc1 ZINC000169306837 562853641 /nfs/dbraw/zinc/85/36/41/562853641.db2.gz JRHOULHSTFCZPI-ZRBLBEILSA-N 1 0 500.868 6.245 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)nn1C ZINC000169307011 562853705 /nfs/dbraw/zinc/85/37/05/562853705.db2.gz GWYOYJKZKHUUAC-UHFFFAOYSA-N 1 0 606.714 7.700 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312237 562855310 /nfs/dbraw/zinc/85/53/10/562855310.db2.gz NUZXKZLGVSJZQL-PQHLKRTFSA-N 1 0 514.691 6.854 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CCCC ZINC000169312781 562855436 /nfs/dbraw/zinc/85/54/36/562855436.db2.gz OWTMGFCBJVNQJS-UHFFFAOYSA-N 1 0 647.260 9.338 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317519 562855971 /nfs/dbraw/zinc/85/59/71/562855971.db2.gz UZVLCYSJIDJZJW-GGXMVOPNSA-N 1 0 509.568 6.741 1 0 KKAFRO CCNc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317819 562856022 /nfs/dbraw/zinc/85/60/22/562856022.db2.gz IWYTUWMBDRWLJL-RPLLCQBOSA-N 1 0 502.577 6.019 1 0 KKAFRO CC(C)[NH2+]C[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccc(Br)cc2)cc1C(C)(C)C ZINC000169318842 562856118 /nfs/dbraw/zinc/85/61/18/562856118.db2.gz UMRMGUXMTFEJAY-JJNABOQBSA-N 1 0 502.537 6.952 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321708 562856720 /nfs/dbraw/zinc/85/67/20/562856720.db2.gz AZQHNRSFBRWIBM-UHFFFAOYSA-N 1 0 524.640 6.197 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324438 562857340 /nfs/dbraw/zinc/85/73/40/562857340.db2.gz KIBXKBOGHTXWAP-UHFFFAOYSA-N 1 0 619.854 8.163 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324431 562857347 /nfs/dbraw/zinc/85/73/47/562857347.db2.gz GBZZPKKWNBBTAT-UHFFFAOYSA-N 1 0 633.881 8.553 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000169326947 562857930 /nfs/dbraw/zinc/85/79/30/562857930.db2.gz PRYOMGLDNWMVAE-PMERELPUSA-N 1 0 681.197 5.120 1 0 KKAFRO COc1ccc2cc(C[NH2+][C@H]3CCC[C@@H](C(=O)Nc4ccc5nc(NC(=O)C6CCCC6)sc5c4)C3)ccc2c1 ZINC000169327428 562858087 /nfs/dbraw/zinc/85/80/87/562858087.db2.gz USJFMFLADMGVQK-RPBOFIJWSA-N 1 0 556.732 6.874 1 0 KKAFRO COC(=O)c1cnc2ccc(NC(=O)c3ccc4c(c3)c3cc(NC(=O)c5cc6cc(NC(=O)CCC[NH+](C)C)ccc6o5)ccc3n4C)cc2c1 ZINC000169330415 562858693 /nfs/dbraw/zinc/85/86/93/562858693.db2.gz BEGZPRLTLFWYBR-UHFFFAOYSA-N 1 0 696.764 7.197 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333415 562859298 /nfs/dbraw/zinc/85/92/98/562859298.db2.gz IRESMALETNMSMJ-DEOSSOPVSA-N 1 0 513.431 8.163 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c1cc(OC)cc2C(F)(F)F ZINC000169333409 562859307 /nfs/dbraw/zinc/85/93/07/562859307.db2.gz KLZDGZGAIAMGJY-RUZDIDTESA-N 1 0 509.012 7.518 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc21 ZINC000169333824 562859338 /nfs/dbraw/zinc/85/93/38/562859338.db2.gz JQWKJVOVNDUEAS-PMERELPUSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc21 ZINC000169333823 562859375 /nfs/dbraw/zinc/85/93/75/562859375.db2.gz JQWKJVOVNDUEAS-SSEXGKCCSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc21 ZINC000169333841 562859377 /nfs/dbraw/zinc/85/93/77/562859377.db2.gz ONIKEVLGDDELNH-LJAQVGFWSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cc(OC)cc12 ZINC000169333899 562859397 /nfs/dbraw/zinc/85/93/97/562859397.db2.gz GOPWOQGWDZSPCI-SSEXGKCCSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cc(OC)cc12 ZINC000169333900 562859416 /nfs/dbraw/zinc/85/94/16/562859416.db2.gz GOPWOQGWDZSPCI-PMERELPUSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334290 562859452 /nfs/dbraw/zinc/85/94/52/562859452.db2.gz VCZAKRHTOVSWLS-XMMPIXPASA-N 1 0 507.889 7.362 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334288 562859462 /nfs/dbraw/zinc/85/94/62/562859462.db2.gz LRYGAOCWBWIYJE-QHCPKHFHSA-N 1 0 575.886 8.380 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c1cccc2C(F)(F)F ZINC000169334576 562859531 /nfs/dbraw/zinc/85/95/31/562859531.db2.gz OOFBDZQLMNMJQW-SNEDAIPCSA-N 1 0 502.665 7.657 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc21 ZINC000169334753 562859538 /nfs/dbraw/zinc/85/95/38/562859538.db2.gz PMHOUYZVFQSMCS-PMERELPUSA-N 1 0 527.149 8.068 1 0 KKAFRO O[C@H](C[NH2+]C1CCCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335330 562859629 /nfs/dbraw/zinc/85/96/29/562859629.db2.gz NXPIPPMAWHRNFJ-RUZDIDTESA-N 1 0 508.506 7.409 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Oc2cc(Cl)cc(Cl)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169336896 562859895 /nfs/dbraw/zinc/85/98/95/562859895.db2.gz KABFOAMIRWOCKD-SANMLTNESA-N 1 0 529.335 9.181 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)C[C@@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000169338019 562860203 /nfs/dbraw/zinc/86/02/03/562860203.db2.gz VYAUYFLQSXKPRH-BTYIYWSLSA-N 1 0 511.466 6.090 1 0 KKAFRO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)n1 ZINC000169340187 562860597 /nfs/dbraw/zinc/86/05/97/562860597.db2.gz QMVVNWLWPKRYMU-UHFFFAOYSA-N 1 0 602.743 5.678 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccc(O[C@H](CC[NH+](C)C)c3ccccc3)cc2)cc1I ZINC000169345048 562861512 /nfs/dbraw/zinc/86/15/12/562861512.db2.gz LRXDNQUSKDBNMZ-XMMPIXPASA-N 1 0 529.422 6.315 1 0 KKAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](c2ccccc2)C[N@@H+](C)CC3)ncc1Cl ZINC000169345213 562861583 /nfs/dbraw/zinc/86/15/83/562861583.db2.gz IMLPTVNOQPZHSM-XMMPIXPASA-N 1 0 513.045 5.597 1 0 KKAFRO CCOC(=O)/C=C/C(=O)Nc1ccc(CCC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 ZINC000169346319 562861758 /nfs/dbraw/zinc/86/17/58/562861758.db2.gz WFMCMNBWSBPEOJ-WFLHTDTDSA-N 1 0 502.655 5.141 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4cnccn4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347498 562862016 /nfs/dbraw/zinc/86/20/16/562862016.db2.gz UBEJQDOLXROTNC-UHFFFAOYSA-N 1 0 562.143 6.629 1 0 KKAFRO Cc1cc(-c2nnc(Nc3ccccc3N3CC4(CC[NH+](CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)s2)n(C)n1 ZINC000169347502 562862035 /nfs/dbraw/zinc/86/20/35/562862035.db2.gz QHBAYXBBRZABLL-UHFFFAOYSA-N 1 0 578.186 6.881 1 0 KKAFRO CC(C)(C)NC(=O)C1(N(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348495 562862289 /nfs/dbraw/zinc/86/22/89/562862289.db2.gz HOPZICPPZWKCBU-NDEPHWFRSA-N 1 0 576.782 5.063 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350400 562862783 /nfs/dbraw/zinc/86/27/83/562862783.db2.gz XKTCLUMXLWSCMM-UHFFFAOYSA-N 1 0 652.727 5.298 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350408 562862804 /nfs/dbraw/zinc/86/28/04/562862804.db2.gz PUWBEDGMRHQJNX-UHFFFAOYSA-N 1 0 623.685 6.146 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350402 562862819 /nfs/dbraw/zinc/86/28/19/562862819.db2.gz FSTYDHPHNAHVOZ-UHFFFAOYSA-N 1 0 720.724 6.317 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350699 562862904 /nfs/dbraw/zinc/86/29/04/562862904.db2.gz URGMUHQGYAUFID-UHFFFAOYSA-N 1 0 707.681 7.045 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350711 562862917 /nfs/dbraw/zinc/86/29/17/562862917.db2.gz HRQBMMWXFQEHJT-UHFFFAOYSA-N 1 0 705.709 7.555 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350725 562862923 /nfs/dbraw/zinc/86/29/23/562862923.db2.gz KXSCVFRVUWUVDK-UHFFFAOYSA-N 1 0 719.736 7.801 1 0 KKAFRO O=C(OC[C@@H]([C@@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353029 562863372 /nfs/dbraw/zinc/86/33/72/562863372.db2.gz OVBWQROKKIVGSL-JJQXXVEZSA-N 1 0 638.816 7.102 1 0 KKAFRO O=C(OC[C@@H](CC1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353289 562863445 /nfs/dbraw/zinc/86/34/45/562863445.db2.gz ZFHBIFNRZSIJML-UUWRZZSWSA-N 1 0 652.843 7.492 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccc(O)cc32)CC1 ZINC000169353911 562863578 /nfs/dbraw/zinc/86/35/78/562863578.db2.gz XYQWFMRGLYMSKX-UHFFFAOYSA-N 1 0 568.640 7.466 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000169365093 562864435 /nfs/dbraw/zinc/86/44/35/562864435.db2.gz LPFASJPXYLLRNZ-OZAPVMTDSA-N 1 0 531.656 5.790 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](C2CCCC2)C1=O ZINC000169371779 562864811 /nfs/dbraw/zinc/86/48/11/562864811.db2.gz KKFBTFCVHZOBSO-IGKIAQTJSA-N 1 0 502.655 5.258 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(C)c2)cc1 ZINC000169372662 562864858 /nfs/dbraw/zinc/86/48/58/562864858.db2.gz JVEIHEXJFKDWES-IOIIXNGISA-N 1 0 531.656 5.790 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695151 562865744 /nfs/dbraw/zinc/86/57/44/562865744.db2.gz GHSAQFBEVBKLAC-LOSJGSFVSA-N 1 0 504.652 5.244 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+]C2(CCC(F)(F)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700240 562867625 /nfs/dbraw/zinc/86/76/25/562867625.db2.gz FQKYDCNRORPEMV-LUEMUNKUSA-N 1 0 596.477 5.446 1 0 KKAFRO CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702185 562868273 /nfs/dbraw/zinc/86/82/73/562868273.db2.gz QPQCFJGDSQXNPS-VWLOTQADSA-N 1 0 565.722 5.094 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702203 562868283 /nfs/dbraw/zinc/86/82/83/562868283.db2.gz REJXPVDGVBXCKX-SFHVURJKSA-N 1 0 530.076 5.361 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(OCC(C)(C)[NH+](C)C)cc3Cl)nc1-2 ZINC000169702506 562868425 /nfs/dbraw/zinc/86/84/25/562868425.db2.gz PVPAUVKLFFSVQF-UHFFFAOYSA-N 1 0 517.077 6.067 1 0 KKAFRO CCOc1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702492 562868446 /nfs/dbraw/zinc/86/84/46/562868446.db2.gz ZINYSRBTWGWWCC-UHFFFAOYSA-N 1 0 579.749 5.010 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704494 562868982 /nfs/dbraw/zinc/86/89/82/562868982.db2.gz OGADCDGFLKGXPZ-AREMUKBSSA-N 1 0 591.552 6.883 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704477 562868984 /nfs/dbraw/zinc/86/89/84/562868984.db2.gz ROURVAIYUMZZBW-SANMLTNESA-N 1 0 591.552 6.883 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704475 562868996 /nfs/dbraw/zinc/86/89/96/562868996.db2.gz LTSQHYWUUUZZJC-AREMUKBSSA-N 1 0 605.535 6.603 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704549 562869046 /nfs/dbraw/zinc/86/90/46/562869046.db2.gz QCGZUBGFAVDMLF-AREMUKBSSA-N 1 0 605.535 6.603 3 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705467 562869386 /nfs/dbraw/zinc/86/93/86/562869386.db2.gz NRXLUQOFKXODJO-HSZRJFAPSA-N 1 0 546.006 6.089 1 0 KKAFRO CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cc[nH+]c(NCC(F)F)c4F)C3)cc2)s1 ZINC000169709377 562870386 /nfs/dbraw/zinc/87/03/86/562870386.db2.gz SHNFSIITNDJAJH-HNAYVOBHSA-N 1 0 576.645 5.160 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCC([NH+]6CCCC6)CC5)cc4)c3)c(OC)cc21 ZINC000169711498 562870993 /nfs/dbraw/zinc/87/09/93/562870993.db2.gz HXLFESQRGYMCNQ-UHFFFAOYSA-N 1 0 568.678 5.342 1 0 KKAFRO CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C[C@@H](C)O)CC3)cc2)c1 ZINC000169711552 562871022 /nfs/dbraw/zinc/87/10/22/562871022.db2.gz NKBVMJLNCYTGJZ-OAQYLSRUSA-N 1 0 571.678 5.227 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C[C@@H](C)O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711615 562871073 /nfs/dbraw/zinc/87/10/73/562871073.db2.gz YXWXCJIOARUJNA-HSZRJFAPSA-N 1 0 615.731 5.244 1 0 KKAFRO CC[NH+]1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCOC)ccn3)cc2)CC1 ZINC000169711619 562871128 /nfs/dbraw/zinc/87/11/28/562871128.db2.gz NXIBYFJILWWTBP-UHFFFAOYSA-N 1 0 585.705 5.883 1 0 KKAFRO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000198683378 562872820 /nfs/dbraw/zinc/87/28/20/562872820.db2.gz OXCAKDYULKMTMJ-AECJBDNTSA-N 1 0 623.823 5.516 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCN(CC[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000203803547 562874173 /nfs/dbraw/zinc/87/41/73/562874173.db2.gz WSITVFNXXHTAID-UHFFFAOYSA-N 1 0 535.088 5.080 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN([C@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1O ZINC000203987113 562874254 /nfs/dbraw/zinc/87/42/54/562874254.db2.gz GLQMCKGYHGHBCP-NRFANRHFSA-N 1 0 521.061 5.100 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cn(C)nc4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430336 562874507 /nfs/dbraw/zinc/87/45/07/562874507.db2.gz GNPHQNSDIUTJNI-JOCHJYFZSA-N 1 0 514.678 5.079 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@@H]4CCC[N@@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204428410 562874511 /nfs/dbraw/zinc/87/45/11/562874511.db2.gz DBPAOJPBWIKHNC-HXUWFJFHSA-N 1 0 532.668 5.218 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4C4CC[NH+](C(C)(C)C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204433625 562874525 /nfs/dbraw/zinc/87/45/25/562874525.db2.gz JEVFHWDSQPEGFC-UHFFFAOYSA-N 1 0 514.678 5.389 1 0 KKAFRO c1nc2c(ncnc2SCc2ccccc2)n1Cc1ccc(CCCCc2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)cc1 ZINC000205027126 562874801 /nfs/dbraw/zinc/87/48/01/562874801.db2.gz XRYAOFHYBGPAEG-UHFFFAOYSA-N 1 0 625.866 7.668 1 0 KKAFRO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490696 562875428 /nfs/dbraw/zinc/87/54/28/562875428.db2.gz KXBWZMRHGBHBBY-UHFFFAOYSA-N 1 0 591.683 5.342 1 0 KKAFRO CCN(c1cc(-c2ccc(C[NH+]3CCC(F)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205718122 562875761 /nfs/dbraw/zinc/87/57/61/562875761.db2.gz KTOFMZRJVUPAQG-UHFFFAOYSA-N 1 0 588.768 5.836 1 0 KKAFRO CCCOC(=O)c1ccc(F)c(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000206416242 562876406 /nfs/dbraw/zinc/87/64/06/562876406.db2.gz ODLKMJZPUNGLRA-UHFFFAOYSA-N 1 0 544.558 5.557 1 0 KKAFRO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5cccc(C)n5)[nH]4)C3)cc2)nc2nc(C)cn21 ZINC000216212803 562877455 /nfs/dbraw/zinc/87/74/55/562877455.db2.gz ONLWOOCHZYUXQV-UHFFFAOYSA-N 1 0 541.663 5.501 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C ZINC000221769904 562879218 /nfs/dbraw/zinc/87/92/18/562879218.db2.gz NIJKXTRDDMFOIH-XLNRJJMWSA-N 1 0 544.746 6.653 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c1C ZINC000221842643 562879287 /nfs/dbraw/zinc/87/92/87/562879287.db2.gz ANMQCMXVLNVXKT-ITYLOYPMSA-N 1 0 536.680 5.357 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1F ZINC000222115135 562879649 /nfs/dbraw/zinc/87/96/49/562879649.db2.gz KKEHZDMMOKHTMG-UHFFFAOYSA-N 1 0 696.677 7.667 1 0 KKAFRO C[NH+](C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000222757611 562879901 /nfs/dbraw/zinc/87/99/01/562879901.db2.gz JXSFGWVDTIUMJF-UHFFFAOYSA-N 1 0 501.887 5.442 1 0 KKAFRO COC(=O)Nc1ccc2c(c1)N[C@@H](C(F)(F)F)CCCC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1cc-2ccn1 ZINC000230574485 562881145 /nfs/dbraw/zinc/88/11/45/562881145.db2.gz YTPPZSNWCBWWTL-PTOZGCLSSA-N 1 0 547.622 5.766 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)O[C@](C(=O)O[C@H](C)OC(=O)C(C)(C)C)(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000253633391 562882080 /nfs/dbraw/zinc/88/20/80/562882080.db2.gz JWTAFQLIDQSBBE-YDQYZTNKSA-N 1 0 678.175 5.019 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000253655797 562882638 /nfs/dbraw/zinc/88/26/38/562882638.db2.gz JZQUTVIGHZYROK-YWUIXBFKSA-N 1 0 590.652 7.986 1 0 KKAFRO CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)sc1C ZINC000299824941 562883429 /nfs/dbraw/zinc/88/34/29/562883429.db2.gz FCNFVEJKQISIMT-RUZDIDTESA-N 1 0 545.671 5.714 1 0 KKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Br)cc1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299829582 562884923 /nfs/dbraw/zinc/88/49/23/562884923.db2.gz KKOHYZNXDFBNAQ-PGRDOPGGSA-N 1 0 506.410 6.673 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H](C)[NH+](C)[C@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299826939 562884025 /nfs/dbraw/zinc/88/40/25/562884025.db2.gz FJTHZODJYYGEFT-DHIUTWEWSA-N 1 0 568.722 5.230 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299827017 562884043 /nfs/dbraw/zinc/88/40/43/562884043.db2.gz FMAPAKOSUIGJBM-UHFFFAOYSA-N 1 0 577.969 8.106 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c(O)cc1O ZINC000299831643 562885680 /nfs/dbraw/zinc/88/56/80/562885680.db2.gz FFYGNZCFVJWTMP-UHFFFAOYSA-N 1 0 544.696 5.952 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299832736 562885904 /nfs/dbraw/zinc/88/59/04/562885904.db2.gz QWJSXCMPSBWNKZ-UHFFFAOYSA-N 1 0 519.433 6.422 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000299833431 562886172 /nfs/dbraw/zinc/88/61/72/562886172.db2.gz KWXMQTBCHHHLEA-SFHVURJKSA-N 1 0 553.503 5.195 1 0 KKAFRO C[NH+](C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299834830 562886629 /nfs/dbraw/zinc/88/66/29/562886629.db2.gz VRCILEFFEHXGGK-UHFFFAOYSA-N 1 0 549.915 7.326 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3NC(C)=O)ccc2OC)c1 ZINC000299835116 562886702 /nfs/dbraw/zinc/88/67/02/562886702.db2.gz LRPVVNZLLYIKBA-UHFFFAOYSA-N 1 0 579.697 6.722 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)C[NH2+]CC(C)(C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2 ZINC000299835803 562886962 /nfs/dbraw/zinc/88/69/62/562886962.db2.gz LXLWLDIYADPTQO-PUNARZIMSA-N 1 0 772.985 6.834 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)cc1F ZINC000299836583 562887240 /nfs/dbraw/zinc/88/72/40/562887240.db2.gz NSBBTNXMJRENKO-UHFFFAOYSA-N 1 0 715.655 6.321 1 0 KKAFRO CC(C)Oc1ccc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)cc1Cl ZINC000299837683 562887538 /nfs/dbraw/zinc/88/75/38/562887538.db2.gz PCUZGOUHCKTGSC-AREMUKBSSA-N 1 0 576.059 5.832 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)c(N)c3)ccc2OC)c1 ZINC000299837911 562887706 /nfs/dbraw/zinc/88/77/06/562887706.db2.gz PPLCVFLOOAEEES-UHFFFAOYSA-N 1 0 537.660 6.345 1 0 KKAFRO O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)/C(F)=C\C[NH+]1CCCCC1 ZINC000299838841 562887965 /nfs/dbraw/zinc/88/79/65/562887965.db2.gz RFXHNJBBKBSDIB-YBHWRHNVSA-N 1 0 544.002 5.611 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299839102 562888026 /nfs/dbraw/zinc/88/80/26/562888026.db2.gz PZBPHJVNQCLDFP-UHFFFAOYSA-N 1 0 738.614 7.753 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299838976 562888042 /nfs/dbraw/zinc/88/80/42/562888042.db2.gz WRHLIOGWJHQBHX-UHFFFAOYSA-N 1 0 678.687 7.590 1 0 KKAFRO COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299839847 562888335 /nfs/dbraw/zinc/88/83/35/562888335.db2.gz ZRHBIYUNDWMKDW-UHFFFAOYSA-N 1 0 680.659 6.436 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)c(Cl)c3)ccc2OC)c1 ZINC000299840332 562888548 /nfs/dbraw/zinc/88/85/48/562888548.db2.gz VAISKFHGXMTLSU-UHFFFAOYSA-N 1 0 557.090 7.417 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nc3cc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840476 562888585 /nfs/dbraw/zinc/88/85/85/562888585.db2.gz XGNDVRWWSKHYGD-UHFFFAOYSA-N 1 0 615.660 6.575 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)c(C)c3)ccc2OC)c1 ZINC000299840932 562888708 /nfs/dbraw/zinc/88/87/08/562888708.db2.gz WWJIOAPWLJEIBL-UHFFFAOYSA-N 1 0 536.672 7.072 1 0 KKAFRO CCCCN1c2ccc(Br)cc2C(C)(C)/C1=C\C=C(Br)\C=C\C1=[N+](CCCC)c2ccc(Br)cc2C1(C)C ZINC000299844613 562889389 /nfs/dbraw/zinc/88/93/89/562889389.db2.gz KHKXMOVZMJLISS-UHFFFAOYSA-N 1 0 704.409 10.705 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)[C@H]2Cc1cccnc1 ZINC000299847363 562889893 /nfs/dbraw/zinc/88/98/93/562889893.db2.gz OMXFBWUCMLOHPQ-ODJQGHGISA-N 1 0 533.738 5.106 1 0 KKAFRO CC[NH+](CC)CCOc1c(I)cc(C(=O)c2c(CC[C@H](C)O)oc3ccccc32)cc1I ZINC000299853250 562891136 /nfs/dbraw/zinc/89/11/36/562891136.db2.gz IIOUFGJTYMDOPR-INIZCTEOSA-N 1 0 661.318 5.907 1 0 KKAFRO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000299856592 562891996 /nfs/dbraw/zinc/89/19/96/562891996.db2.gz KARGDMXTCNIVCU-UHFFFAOYSA-N 1 0 545.058 6.062 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCC[NH+]3CCCCC3)O5)ccc2OC)c1 ZINC000299860009 562892855 /nfs/dbraw/zinc/89/28/55/562892855.db2.gz IUAHOJURDLLHBR-LJAQVGFWSA-N 1 0 597.668 5.695 1 0 KKAFRO Cc1ccc(-c2c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccc(F)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299860111 562892912 /nfs/dbraw/zinc/89/29/12/562892912.db2.gz ZVKBOKGCAHHLSI-UHFFFAOYSA-N 1 0 524.640 5.717 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299860660 562892986 /nfs/dbraw/zinc/89/29/86/562892986.db2.gz GYANWDNIKGBQDN-UMSFTDKQSA-N 1 0 543.752 7.007 1 0 KKAFRO COc1cc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 ZINC000299860649 562892988 /nfs/dbraw/zinc/89/29/88/562892988.db2.gz JMNLEMACSJXEOI-DBZLJLCCSA-N 1 0 577.691 7.133 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299861294 562893199 /nfs/dbraw/zinc/89/31/99/562893199.db2.gz IDTWGEUFPVJYSJ-YTTGMZPUSA-N 1 0 515.698 6.227 1 0 KKAFRO COc1cc2oc(-c3ccc(OCC(=O)NCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)cc3)cc(=O)c2c(OC)c1OC ZINC000299862326 562893590 /nfs/dbraw/zinc/89/35/90/562893590.db2.gz JMBDUGUBNUJHAR-UHFFFAOYSA-N 1 0 686.205 7.344 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000299863742 562893898 /nfs/dbraw/zinc/89/38/98/562893898.db2.gz PUUFKSMTLDKTHL-HYZYYIOASA-N 1 0 505.024 6.716 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864118 562894028 /nfs/dbraw/zinc/89/40/28/562894028.db2.gz LZNTUKFMGLSYSB-LABVJWKOSA-N 1 0 559.710 6.182 1 0 KKAFRO Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000299864948 562894271 /nfs/dbraw/zinc/89/42/71/562894271.db2.gz SGWORNLMMGXAHF-LFGICVIVSA-N 1 0 681.793 5.922 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2cccc(C(=O)OC3CCCC3)c2F)c1 ZINC000299866645 562894706 /nfs/dbraw/zinc/89/47/06/562894706.db2.gz PGVAXNVMJXYCHT-UHFFFAOYSA-N 1 0 570.596 6.090 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 ZINC000299867298 562894851 /nfs/dbraw/zinc/89/48/51/562894851.db2.gz XVLPHLABYJZKGZ-VHELMSOXSA-N 1 0 563.502 7.386 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299867314 562894854 /nfs/dbraw/zinc/89/48/54/562894854.db2.gz QDLRHMZRLCCZQC-IEFDIXSJSA-N 1 0 557.694 5.936 1 0 KKAFRO CCN1c2ccccc2[C@]2([NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867657 562894921 /nfs/dbraw/zinc/89/49/21/562894921.db2.gz QMNWXKSGOPPJNR-FXWMNFRNSA-N 1 0 601.747 5.587 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000299870692 562895520 /nfs/dbraw/zinc/89/55/20/562895520.db2.gz WSGCGGATBVZWKD-ZVZYGMPWSA-N 1 0 571.721 6.326 1 0 KKAFRO COc1ccc(/C=C(/C(=O)Nc2cccc(Oc3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3Cl)c2)C(F)(F)F)cc1 ZINC000299870968 562895597 /nfs/dbraw/zinc/89/55/97/562895597.db2.gz XHUZYANVQMWBMH-ONUIUJJFSA-N 1 0 669.104 7.019 1 0 KKAFRO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OCc3ccccc3)nc2N1C1CCCC1 ZINC000473088022 562897249 /nfs/dbraw/zinc/89/72/49/562897249.db2.gz NJCXJMGQBLIWBL-MUUNZHRXSA-N 1 0 597.764 5.127 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3cccc(C(F)(F)F)c3)c(=O)n2C)cc1F ZINC000473095971 562897845 /nfs/dbraw/zinc/89/78/45/562897845.db2.gz XZVXDGZDMCMMGN-UHFFFAOYSA-N 1 0 721.752 7.745 1 0 KKAFRO CC[N@H+](CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473112318 562898703 /nfs/dbraw/zinc/89/87/03/562898703.db2.gz DNPXQEQJXMUBMQ-UHFFFAOYSA-N 1 0 547.648 6.176 1 0 KKAFRO CC[N@H+](CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473115017 562898986 /nfs/dbraw/zinc/89/89/86/562898986.db2.gz QPBMWAWFSURVQQ-UHFFFAOYSA-N 1 0 533.621 5.785 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 ZINC000473115886 562899075 /nfs/dbraw/zinc/89/90/75/562899075.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 1 0 519.594 5.482 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)C(C)(C)C)nc3)cc2)cc1F ZINC000473135647 562900845 /nfs/dbraw/zinc/90/08/45/562900845.db2.gz QPWXILVPHYEATH-UHFFFAOYSA-N 1 0 535.664 6.627 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136164 562900929 /nfs/dbraw/zinc/90/09/29/562900929.db2.gz NMZKUZFCZYLPLW-IWUIRIORSA-N 1 0 571.146 7.433 1 0 KKAFRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2OC(F)(F)F)c1 ZINC000473147749 562901433 /nfs/dbraw/zinc/90/14/33/562901433.db2.gz FYZFYXXYWRMTHK-UHFFFAOYSA-N 1 0 576.572 5.807 1 0 KKAFRO CC(=O)Nc1c(Cl)cc(CNC(=[NH2+])NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473155132 562902385 /nfs/dbraw/zinc/90/23/85/562902385.db2.gz PEVPVBPKLSWPED-RDPSFJRHSA-N 1 0 524.452 5.155 1 0 KKAFRO CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000473200833 562903834 /nfs/dbraw/zinc/90/38/34/562903834.db2.gz DYIDCYKYUPJJTQ-HZCBDIJESA-N 1 0 522.089 6.349 1 0 KKAFRO CCN(c1cc(-c2ccc(C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243777 562904702 /nfs/dbraw/zinc/90/47/02/562904702.db2.gz APKOXAGEAJLWBW-QVYRIUEQSA-N 1 0 528.741 6.317 1 0 KKAFRO CCN(c1cc(-c2cscn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243954 562904762 /nfs/dbraw/zinc/90/47/62/562904762.db2.gz GHMHPEISUAMPLZ-YHBQERECSA-N 1 0 521.731 5.465 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3)c(=O)n2C)cc1F ZINC000474604611 562905317 /nfs/dbraw/zinc/90/53/17/562905317.db2.gz DIKIYXVXEHVPSL-UHFFFAOYSA-N 1 0 654.743 5.241 1 0 KKAFRO O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474607973 562905451 /nfs/dbraw/zinc/90/54/51/562905451.db2.gz KUFHUQCIJOTNEQ-UHFFFAOYSA-N 1 0 528.619 5.256 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Cl)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474609714 562905630 /nfs/dbraw/zinc/90/56/30/562905630.db2.gz TUEDGBXWMGGZLJ-UHFFFAOYSA-N 1 0 554.156 5.426 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+](C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668880 562906047 /nfs/dbraw/zinc/90/60/47/562906047.db2.gz MMIWOBFOVOZMKG-UHFFFAOYSA-N 1 0 503.002 5.425 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCC[NH+]3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676810 562906250 /nfs/dbraw/zinc/90/62/50/562906250.db2.gz DXKWCTOGXYQRCA-UHFFFAOYSA-N 1 0 559.066 5.838 1 0 KKAFRO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCC([NH+](C)C)CC3)n2)c1 ZINC000653679170 562906261 /nfs/dbraw/zinc/90/62/61/562906261.db2.gz DFCMLDSBUNKEOP-UHFFFAOYSA-N 1 0 518.643 5.025 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCC[NH+](C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682401 562906399 /nfs/dbraw/zinc/90/63/99/562906399.db2.gz UKVBAJDPXOGHTO-UHFFFAOYSA-N 1 0 533.028 5.304 1 0 KKAFRO COc1ccc(-c2nc(Nc3ccc(C(=O)Nc4cc(C[NH+]5CCCC5)ccc4C)cc3)ncc2C(F)(F)F)cn1 ZINC000653688555 562906629 /nfs/dbraw/zinc/90/66/29/562906629.db2.gz QPRROUMMIJQXMM-UHFFFAOYSA-N 1 0 562.596 6.466 1 0 KKAFRO COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CC[NH+](C)C)c1ccc(Br)cc1 ZINC000653699617 562907247 /nfs/dbraw/zinc/90/72/47/562907247.db2.gz QDRJSIIKIUXVRU-JGCGQSQUSA-N 1 0 586.530 6.534 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C)c3)n2)cc1 ZINC000653714155 562908296 /nfs/dbraw/zinc/90/82/96/562908296.db2.gz FULPXOVZKPLHBE-UHFFFAOYSA-N 1 0 535.574 5.796 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3cc(COc4cccc5ccccc54)nn3)cc1)CC2 ZINC000653717554 562908590 /nfs/dbraw/zinc/90/85/90/562908590.db2.gz SGPWZZSFPDVBTN-UHFFFAOYSA-N 1 0 520.633 5.618 1 0 KKAFRO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc1)nc1ccccc12 ZINC000653737623 562909820 /nfs/dbraw/zinc/90/98/20/562909820.db2.gz LESNNKZLHFFZAI-UHFFFAOYSA-N 1 0 621.741 7.891 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653739739 562910110 /nfs/dbraw/zinc/91/01/10/562910110.db2.gz IJTYJQYEMJCTLU-UHFFFAOYSA-N 1 0 721.229 8.885 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@@H]([NH2+]C2CC2)CC1 ZINC000653745150 562910315 /nfs/dbraw/zinc/91/03/15/562910315.db2.gz SHEWZWKNEYRLAO-BGYRXZFFSA-N 1 0 614.216 6.161 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653783752 562912245 /nfs/dbraw/zinc/91/22/45/562912245.db2.gz NBAOYGOFUXATFS-FQLXRVMXSA-N 1 0 530.490 5.014 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795171 562912993 /nfs/dbraw/zinc/91/29/93/562912993.db2.gz USDIWJGYLJYDDN-PXLJZGITSA-N 1 0 606.588 6.585 1 0 KKAFRO Cc1n(Cc2ccc(C)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795187 562913001 /nfs/dbraw/zinc/91/30/01/562913001.db2.gz ZIFSCDFCNGANHT-LQFQNGICSA-N 1 0 541.719 6.130 1 0 KKAFRO COc1ccc(Cn2c3ccsc3c(C[NH2+][C@H](C)c3ccccc3)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000653796429 562913140 /nfs/dbraw/zinc/91/31/40/562913140.db2.gz SGLAYWKDSWOYPA-AREMUKBSSA-N 1 0 578.782 6.569 1 0 KKAFRO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(C5CC[NH+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823837 562914324 /nfs/dbraw/zinc/91/43/24/562914324.db2.gz NUMZOUWDKZZHAY-HNNXBMFYSA-N 1 0 521.452 6.757 1 0 KKAFRO COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1C[NH2+][C@H](COC(=O)NCc2cccc(Cl)n2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837792 562914752 /nfs/dbraw/zinc/91/47/52/562914752.db2.gz BPRPPUQEETUALV-LITRCPILSA-N 1 0 686.209 5.446 1 0 KKAFRO CN1CC[NH+](Cc2ccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)cc2)CC1 ZINC000653852932 562915599 /nfs/dbraw/zinc/91/55/99/562915599.db2.gz OXKQANQTNWDZFT-UHFFFAOYSA-N 1 0 510.682 5.455 1 0 KKAFRO COc1ccc(Cn2c([C@H]([NH3+])Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 ZINC000653852814 562915611 /nfs/dbraw/zinc/91/56/11/562915611.db2.gz IXYGNNGNXNGTKZ-GRKNLSHJSA-N 1 0 571.685 5.168 1 0 KKAFRO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)n(C)c3)cn2)cc1 ZINC000653859699 562915933 /nfs/dbraw/zinc/91/59/33/562915933.db2.gz UQHQDEWPSILFAG-XYOKQWHBSA-N 1 0 629.787 5.365 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(N[C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000653861694 562916006 /nfs/dbraw/zinc/91/60/06/562916006.db2.gz COPINYWCESNOFK-YOCNBXQISA-N 1 0 574.676 5.151 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653871578 562916429 /nfs/dbraw/zinc/91/64/29/562916429.db2.gz KJWVCMODAISHRH-UHFFFAOYSA-N 1 0 596.663 6.181 1 0 KKAFRO COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(NCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653915647 562917861 /nfs/dbraw/zinc/91/78/61/562917861.db2.gz LFPKQPOSQFLWBN-IBGZPJMESA-N 1 0 565.093 6.151 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3C2 ZINC000070454481 565119602 /nfs/dbraw/zinc/11/96/02/565119602.db2.gz ZKHQJCUUEXSGCM-GDLZYMKVSA-N 1 0 606.719 6.979 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592892 565148926 /nfs/dbraw/zinc/14/89/26/565148926.db2.gz UFJMIXKHXCZVNQ-ILRRJBECSA-N 1 0 653.772 6.189 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C[C@H]2CC3(CCCC3)CC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595774 565154093 /nfs/dbraw/zinc/15/40/93/565154093.db2.gz XVQCSBMJWQEGES-RCDAXMBGSA-N 1 0 647.853 7.486 1 0 biogenic,in-vitro KKAFRO COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[C@@H](C)[C@]4(C)Cc3ccc(O)cc3)c1)[N@H+](C)CC2 ZINC000085648346 565169438 /nfs/dbraw/zinc/16/94/38/565169438.db2.gz DCYYXGAGWFONJI-QRMOXYPWSA-N 1 0 623.790 7.770 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c(OC2CCCC2)c1)[C@H](CCO)C(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1CCCCc1cccc(O)c1 ZINC000150348585 565202081 /nfs/dbraw/zinc/20/20/81/565202081.db2.gz MNLAMBZKPANDKO-NXVKXZJFSA-N 1 0 677.842 7.039 1 0 biogenic,in-vitro KKAFRO CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000150350032 565202603 /nfs/dbraw/zinc/20/26/03/565202603.db2.gz KUTLSLSLXXZUCR-UHFFFAOYSA-N 1 0 692.833 6.492 1 0 biogenic,in-vitro KKAFRO [NH3+]CCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCC2)[C@]23C=CCC[C@@]21C(C(=O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21)OC3=O ZINC000150359676 565204182 /nfs/dbraw/zinc/20/41/82/565204182.db2.gz KQVQBRCIHJICMS-RVFFMOCHSA-N 1 0 637.861 8.522 1 0 biogenic,in-vitro KKAFRO COc1ccccc1Cc1nc2ccc(-c3nn(C4CCC(C5CC[NH+](C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1 ZINC000049777851 581096123 /nfs/dbraw/zinc/09/61/23/581096123.db2.gz OBDZFXLPCBGQSA-UHFFFAOYSA-N 1 0 550.711 5.624 1 0 KKAFRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)C1 ZINC000042808184 581097378 /nfs/dbraw/zinc/09/73/78/581097378.db2.gz BPDPKBWIXIMZMC-NRFANRHFSA-N 1 0 588.665 5.478 1 0 KKAFRO COc1cc2c(cc1OCCCn1cncn1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000042808528 581097429 /nfs/dbraw/zinc/09/74/29/581097429.db2.gz TXXALIOZTNGKSD-UHFFFAOYSA-N 1 0 592.631 5.587 1 0 KKAFRO CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3C[C@@H](C)CCC4=C[C@H]1[C@H](C)CC=C[C@H]51 ZINC000085531906 291920499 /nfs/dbraw/zinc/92/04/99/291920499.db2.gz JCCMSCDZHIDHLC-BKKXGMLGSA-N 1 0 579.781 7.466 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567570 291939967 /nfs/dbraw/zinc/93/99/67/291939967.db2.gz KNSZPASHXZXTFA-BNHRFMORSA-N 1 0 577.674 5.357 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CC=C[C@@H]2C3)c1)CO4 ZINC000085567385 291940447 /nfs/dbraw/zinc/94/04/47/291940447.db2.gz HWRCPRICYJJJDT-NDYBFFBQSA-N 1 0 776.927 6.755 1 0 biogenic,in-vitro KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccncc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000001487531 561676011 /nfs/dbraw/zinc/67/60/11/561676011.db2.gz CZIIWRLNACPBRE-NRFANRHFSA-N 1 0 546.071 6.415 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)c(Br)s2)c1C(F)(F)F ZINC000001540229 561677070 /nfs/dbraw/zinc/67/70/70/561677070.db2.gz GFVDOCQPEDCROT-UHFFFAOYSA-N 1 0 598.411 6.258 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc[n+]([O-])c(C)c2)c1 ZINC000001912782 561680309 /nfs/dbraw/zinc/68/03/09/561680309.db2.gz BRIGXZPPTLOWSJ-XNPSPRNGSA-N 1 0 592.828 7.008 1 0 KKAFRO C[C@@H](CSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1)C[NH+](C)C ZINC000001655233 561678744 /nfs/dbraw/zinc/67/87/44/561678744.db2.gz DRQIPGIMYLZASW-OAQYLSRUSA-N 1 0 570.813 6.835 1 0 KKAFRO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000025184506 553805732 /nfs/dbraw/zinc/80/57/32/553805732.db2.gz LJTNWWMZYNJDLT-HYZYYIOASA-N 1 0 507.476 5.238 2 0 KKAFRO COc1ccc2c3c(ccc2c1)c(C(=O)NCC[NH+](C)CCNC(=O)c1cn(C)c2c1ccc1cc(OC)ccc21)cn3C ZINC000001861222 561679899 /nfs/dbraw/zinc/67/98/99/561679899.db2.gz ANSOMLSHMKCSIY-UHFFFAOYSA-N 1 0 591.712 5.085 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@H](c2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000003801037 561682506 /nfs/dbraw/zinc/68/25/06/561682506.db2.gz NMHBRYQBDQAZRP-PMERELPUSA-N 1 0 511.584 6.628 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003815584 561682882 /nfs/dbraw/zinc/68/28/82/561682882.db2.gz RZCGFKOLPIVLDE-FQLXRVMXSA-N 1 0 505.618 5.011 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842934 561684160 /nfs/dbraw/zinc/68/41/60/561684160.db2.gz VGIQUSQBXZXBGW-UHFFFAOYSA-N 1 0 720.837 7.055 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(CC[NH+](C)C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842930 561684177 /nfs/dbraw/zinc/68/41/77/561684177.db2.gz SQCCCUOOWHMPBF-UHFFFAOYSA-N 1 0 692.783 6.275 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CCC(O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000003918272 561685412 /nfs/dbraw/zinc/68/54/12/561685412.db2.gz VFMALDMKHOEVIT-SSEXGKCCSA-N 1 0 537.531 6.428 1 0 KKAFRO CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000003918820 561685425 /nfs/dbraw/zinc/68/54/25/561685425.db2.gz OEKMGABCSLYWOP-DHUJRADRSA-N 1 0 625.806 8.519 1 0 KKAFRO CCN(CC)C(=O)C[NH+]1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000003950869 561690467 /nfs/dbraw/zinc/69/04/67/561690467.db2.gz LLCGVIGFFQPTGW-WJOKGBTCSA-N 1 0 708.967 6.700 1 0 KKAFRO CCOC(=O)Cc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000003952524 561690684 /nfs/dbraw/zinc/69/06/84/561690684.db2.gz XQIMHUUUPIDZHW-UHFFFAOYSA-N 1 0 575.775 6.084 1 0 KKAFRO CN(C)C(=O)C1(N2CCCCC2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000003990362 561693339 /nfs/dbraw/zinc/69/33/39/561693339.db2.gz RVQZVVJLIUXDPN-YTTGMZPUSA-N 1 0 601.619 5.160 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3[nH]c4ccccc4c3C(C)C)cc2)cc1OC ZINC000003996017 561693746 /nfs/dbraw/zinc/69/37/46/561693746.db2.gz KWAAABBJIYOBAJ-UHFFFAOYSA-N 1 0 550.721 6.085 1 0 KKAFRO CCCCOC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004391840 561694757 /nfs/dbraw/zinc/69/47/57/561694757.db2.gz MSSUTHBWXHMPAX-UHFFFAOYSA-N 1 0 557.712 7.327 1 0 KKAFRO O=C(NCCC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006005551 561701365 /nfs/dbraw/zinc/70/13/65/561701365.db2.gz SJJRPBWGEFLAEB-UHFFFAOYSA-N 1 0 593.731 6.647 1 0 KKAFRO COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc(OC)c1OC ZINC000006010006 561701757 /nfs/dbraw/zinc/70/17/57/561701757.db2.gz QFROOHUZVMEHOF-IVASFTFCSA-N 1 0 563.779 7.065 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1 ZINC000013451539 561713511 /nfs/dbraw/zinc/71/35/11/561713511.db2.gz QRENGZQQNFRNRN-UHFFFAOYSA-N 1 0 520.695 5.848 1 0 KKAFRO O=C1N(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1 ZINC000013452517 561713515 /nfs/dbraw/zinc/71/35/15/561713515.db2.gz ZKSRUFVYVYEELI-UHFFFAOYSA-N 1 0 517.048 6.545 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000006511192 561702796 /nfs/dbraw/zinc/70/27/96/561702796.db2.gz LYDOHOJKPPNXJX-YTTGMZPUSA-N 1 0 574.766 6.063 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000006717143 561702976 /nfs/dbraw/zinc/70/29/76/561702976.db2.gz IQPWKAIEQBOLPJ-AJQTZOPKSA-N 1 0 583.754 5.875 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000008585127 561705860 /nfs/dbraw/zinc/70/58/60/561705860.db2.gz RTXHEHJHOFHRFX-OWGSQAEBSA-N 1 0 505.702 7.542 3 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000008595281 561706054 /nfs/dbraw/zinc/70/60/54/561706054.db2.gz CRQMYNFFVQYLNB-UHFFFAOYSA-N 1 0 526.077 6.252 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccccc2)CC1 ZINC000008597850 561706325 /nfs/dbraw/zinc/70/63/25/561706325.db2.gz XKTWSUHRSKEVKI-UHFFFAOYSA-N 1 0 543.712 5.165 1 0 KKAFRO COc1ccc(Nc2c3cc(NC(=O)c4cc(=O)c5ccccc5o4)ccc3[nH+]c3c2CCCC3)cc1OC ZINC000009777102 561709236 /nfs/dbraw/zinc/70/92/36/561709236.db2.gz KHIFQIHQOKIRJA-UHFFFAOYSA-N 1 0 521.573 6.233 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](CC(C)C)[C@@H]([NH3+])C[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 ZINC000010339598 561709328 /nfs/dbraw/zinc/70/93/28/561709328.db2.gz VMVZSPLWCGEHMQ-AIGMYPEUSA-N 1 0 526.697 5.225 1 0 KKAFRO Cc1nc2cc(Cl)c(N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)cc2n1CC[NH+]1CCCCC1 ZINC000012470824 561710885 /nfs/dbraw/zinc/71/08/85/561710885.db2.gz PTKWYYZULQHUEI-UHFFFAOYSA-N 1 0 535.161 6.243 3 0 KKAFRO CCCn1c(C2CC[NH2+]CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1 ZINC000012501995 561711088 /nfs/dbraw/zinc/71/10/88/561711088.db2.gz UQFRSHRWRKYNDE-UHFFFAOYSA-N 1 0 513.517 6.936 1 0 in-vivo KKAFRO c1c(-c2cccc(-c3ccccc3)c2)noc1N(CCC[NH+]1CCCCCC1)Cc1ccc2c(c1)OCO2 ZINC000013437527 561712075 /nfs/dbraw/zinc/71/20/75/561712075.db2.gz VSRBYCWNYRELSW-UHFFFAOYSA-N 1 0 509.650 7.010 1 0 KKAFRO CCOc1ccc2c(cccc2C(=O)N2CCC([NH+]3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1 ZINC000013440411 561712455 /nfs/dbraw/zinc/71/24/55/561712455.db2.gz ITTNKFNGDHHQSI-UHFFFAOYSA-N 1 0 530.778 7.298 1 0 KKAFRO COC(=O)CSc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccc(F)cc54)CC3)CC2)cc1 ZINC000013440432 561712648 /nfs/dbraw/zinc/71/26/48/561712648.db2.gz PXUGFEOPGURFJL-UHFFFAOYSA-N 1 0 534.697 5.803 1 0 KKAFRO COc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443629 561712949 /nfs/dbraw/zinc/71/29/49/561712949.db2.gz BYJSSJUUKGUDHW-AREMUKBSSA-N 1 0 540.680 5.242 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450368 561713322 /nfs/dbraw/zinc/71/33/22/561713322.db2.gz ZPRTXMCKEPWEJU-DGPALRBDSA-N 1 0 541.709 5.068 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450356 561713383 /nfs/dbraw/zinc/71/33/83/561713383.db2.gz ZPRTXMCKEPWEJU-PQHLKRTFSA-N 1 0 541.709 5.068 1 0 KKAFRO CNC(=O)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000013475713 561714724 /nfs/dbraw/zinc/71/47/24/561714724.db2.gz QBRASFHWGCVFTA-UHFFFAOYSA-N 1 0 506.090 5.319 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CNc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013479392 561715011 /nfs/dbraw/zinc/71/50/11/561715011.db2.gz LFBWQMUZWRCTEN-XMMPIXPASA-N 1 0 524.130 5.594 1 0 KKAFRO CCCN(c1ccccn1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000013487337 561715145 /nfs/dbraw/zinc/71/51/45/561715145.db2.gz IAIPKBDOARAZEA-LBNVMWSVSA-N 1 0 517.117 5.972 1 0 KKAFRO CCNc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487769 561715258 /nfs/dbraw/zinc/71/52/58/561715258.db2.gz RWRQUENFZNKCHJ-UHFFFAOYSA-N 1 0 508.258 5.489 1 0 KKAFRO c1ccc2c(c1)nc1c(c2SCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013492741 561716395 /nfs/dbraw/zinc/71/63/95/561716395.db2.gz COEYCPFFRLYNSC-UHFFFAOYSA-N 1 0 523.790 9.085 1 0 in-vitro KKAFRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013534615 561717930 /nfs/dbraw/zinc/71/79/30/561717930.db2.gz CWPYEAPHWBNCJQ-BJKOFHAPSA-N 1 0 518.529 5.820 1 0 KKAFRO Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@]([NH3+])(c4cncn4C)c4ccc(Cl)cc4)ccc3n12 ZINC000013587838 561720878 /nfs/dbraw/zinc/72/08/78/561720878.db2.gz ZBVRAORJUFNDAX-NDEPHWFRSA-N 1 0 513.432 6.149 1 0 KKAFRO Cc1c(-c2ccccc2F)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F ZINC000013609711 561721866 /nfs/dbraw/zinc/72/18/66/561721866.db2.gz CDBHRNGOYLXFNO-QHCPKHFHSA-N 1 0 515.482 5.031 1 0 KKAFRO COc1ccc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643495 561722398 /nfs/dbraw/zinc/72/23/98/561722398.db2.gz KFNZXKNDQYZEAS-UHFFFAOYSA-N 1 0 505.486 6.008 1 0 KKAFRO CC[NH+](CC)CCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3cc(OC)cc(OC)c3)cc2cn1 ZINC000013647823 561722681 /nfs/dbraw/zinc/72/26/81/561722681.db2.gz SADVQUINRBCGFP-UHFFFAOYSA-N 1 0 508.667 5.378 1 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013660992 561723353 /nfs/dbraw/zinc/72/33/53/561723353.db2.gz VTBZFOHHWKFOOG-QHCPKHFHSA-N 1 0 527.617 6.214 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000013661251 561723460 /nfs/dbraw/zinc/72/34/60/561723460.db2.gz MJJIHQACZGUMQB-GJZUVCINSA-N 1 0 521.698 6.805 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+](CC)CC)c1ccc(N(C)C)cc1 ZINC000013661232 561723504 /nfs/dbraw/zinc/72/35/04/561723504.db2.gz HGDYBAMZXURDJP-VWLOTQADSA-N 1 0 508.703 6.473 3 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(C[n+]3ccccc3)c2)[C@H]1O ZINC000013673048 561723770 /nfs/dbraw/zinc/72/37/70/561723770.db2.gz RIKIZALCOLNTKH-FIRIVFDPSA-N 1 0 535.774 5.735 1 0 KKAFRO CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013674654 561723888 /nfs/dbraw/zinc/72/38/88/561723888.db2.gz FGQKZJQBKCJYLS-UHFFFAOYSA-N 1 0 515.675 6.071 1 0 KKAFRO COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4c([nH+]c5cccc(Cl)c53)CCCC4)c2c1 ZINC000013679424 561724535 /nfs/dbraw/zinc/72/45/35/561724535.db2.gz LSGATBLIVMZRBG-UHFFFAOYSA-N 1 0 519.089 6.588 1 0 KKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013733941 561725417 /nfs/dbraw/zinc/72/54/17/561725417.db2.gz UGOMNHAPORMLNW-HDICACEKSA-N 1 0 522.325 6.113 1 0 KKAFRO CCC[NH2+]CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740061 561725915 /nfs/dbraw/zinc/72/59/15/561725915.db2.gz LERGQFAABXNVDV-UHFFFAOYSA-N 1 0 505.488 5.153 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780469 561729177 /nfs/dbraw/zinc/72/91/77/561729177.db2.gz OOLKCFWNZIVZNS-SSHYCOHZSA-N 1 0 506.602 5.365 1 0 KKAFRO COc1ccc(OCC[N@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781688 561729498 /nfs/dbraw/zinc/72/94/98/561729498.db2.gz YMJMLBOAWZAJFV-MUUNZHRXSA-N 1 0 528.759 5.971 1 0 KKAFRO C[N@H+](CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799742 561730357 /nfs/dbraw/zinc/73/03/57/561730357.db2.gz KTZFWUUKOUWTMJ-HHHXNRCGSA-N 1 0 528.715 5.301 1 0 KKAFRO CC(C)(C)c1cc([C@H]2SCC(=O)N2CCC[NH2+]CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000013799751 561730539 /nfs/dbraw/zinc/73/05/39/561730539.db2.gz AYYXBQSQPQGDCX-HHHXNRCGSA-N 1 0 528.715 5.349 1 0 KKAFRO COc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834314 561734195 /nfs/dbraw/zinc/73/41/95/561734195.db2.gz XIIPLMMVMAKDTM-UHFFFAOYSA-N 1 0 503.620 6.084 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)NC[C@H](c2ccc(Cl)c(Cl)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000013835135 561734343 /nfs/dbraw/zinc/73/43/43/561734343.db2.gz XYYQBJLKFVMOJL-MUUNZHRXSA-N 1 0 532.556 6.131 1 0 KKAFRO COc1ccc([C@@H](CC[NH+]2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000013861746 561734732 /nfs/dbraw/zinc/73/47/32/561734732.db2.gz YMXILHSRXXPJAE-AREMUKBSSA-N 1 0 500.561 6.055 1 0 KKAFRO CN(CCC[NH+](C)C)c1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000013862915 561735002 /nfs/dbraw/zinc/73/50/02/561735002.db2.gz KTQXUWCOAYRSAJ-UHFFFAOYSA-N 1 0 504.466 5.307 1 0 KKAFRO CCCCC1(CCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000013863925 561735108 /nfs/dbraw/zinc/73/51/08/561735108.db2.gz FDJQARYJQHXLKI-WJOKGBTCSA-N 1 0 532.732 8.600 1 0 KKAFRO CCOc1ccc(CCNC(=O)N2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013864332 561735245 /nfs/dbraw/zinc/73/52/45/561735245.db2.gz NFBNIRNKYJTDIE-UHFFFAOYSA-N 1 0 521.652 5.846 1 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OS(C)(=O)=O)C1 ZINC000013909972 561735621 /nfs/dbraw/zinc/73/56/21/561735621.db2.gz HYHZGIWTSKSXKP-NDEPHWFRSA-N 1 0 534.722 5.472 1 0 KKAFRO O[C@@H](C[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1ccccc1C1CCCC1 ZINC000013912524 561735700 /nfs/dbraw/zinc/73/57/00/561735700.db2.gz WISVQGDWWARZOB-LBNVMWSVSA-N 1 0 513.600 6.903 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC(O)(Cc3ccccc3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014141105 561737114 /nfs/dbraw/zinc/73/71/14/561737114.db2.gz BETCCFITWJNKCT-QQXNZRNTSA-N 1 0 632.689 7.852 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)C[C@H]3c4ccccc4[NH+]=C(N4CCCCC4)N3c3ccccc3)cc2)cc1 ZINC000014191027 561737458 /nfs/dbraw/zinc/73/74/58/561737458.db2.gz TWRWYNXGPAASHN-XIFFEERXSA-N 1 0 607.780 6.537 1 0 in-vivo KKAFRO CC[NH+](CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC3CCCCC3)nc2n1 ZINC000014944231 561742333 /nfs/dbraw/zinc/74/23/33/561742333.db2.gz LSALXSOZDWYUQQ-UHFFFAOYSA-N 1 0 558.558 6.987 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950399 561745444 /nfs/dbraw/zinc/74/54/44/561745444.db2.gz GJINLTTVIZRYJU-UHFFFAOYSA-N 1 0 546.553 5.546 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CC=Cc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1 ZINC000014950413 561745495 /nfs/dbraw/zinc/74/54/95/561745495.db2.gz MZRBGTNVLDWXCY-UHFFFAOYSA-N 1 0 576.554 6.156 1 0 KKAFRO CC[NH+](CC)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950422 561745558 /nfs/dbraw/zinc/74/55/58/561745558.db2.gz UKWUFMOOIOETEJ-UHFFFAOYSA-N 1 0 574.607 6.326 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)NCc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950866 561745753 /nfs/dbraw/zinc/74/57/53/561745753.db2.gz YQUZVLWPXTXQDM-SANMLTNESA-N 1 0 512.617 5.434 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1 ZINC000014950939 561745854 /nfs/dbraw/zinc/74/58/54/561745854.db2.gz SFQJXKKBEULZHT-MUUNZHRXSA-N 1 0 541.680 7.003 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1 ZINC000014950934 561745866 /nfs/dbraw/zinc/74/58/66/561745866.db2.gz HOMLILSZEAMAIN-QHCPKHFHSA-N 1 0 529.669 6.879 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc3F)cc12 ZINC000014951156 561745999 /nfs/dbraw/zinc/74/59/99/561745999.db2.gz HQBRJIGJLJDFHY-LJQANCHMSA-N 1 0 580.542 5.240 1 0 KKAFRO NC(=O)Nc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953503 561746621 /nfs/dbraw/zinc/74/66/21/561746621.db2.gz PZTVPHNZFYDIEQ-UHFFFAOYSA-N 1 0 542.467 5.147 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 ZINC000014953395 561746650 /nfs/dbraw/zinc/74/66/50/561746650.db2.gz XBTPFPWYGMNPPA-LJAQVGFWSA-N 1 0 508.622 5.418 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000014957947 561748090 /nfs/dbraw/zinc/74/80/90/561748090.db2.gz CCGCNRFJWOIIDQ-UHFFFAOYSA-N 1 0 579.668 5.624 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3[nH]c(=O)c(Cc4ccc(O)cc4)nc3-c3ccccc3)cc2)CC1 ZINC000014957921 561748128 /nfs/dbraw/zinc/74/81/28/561748128.db2.gz POLULYJEVDSBIB-UHFFFAOYSA-N 1 0 583.692 5.880 1 0 KKAFRO COc1ccc(C[NH2+]CCCN(c2ccc(=O)n(-c3ccccc3Cl)n2)c2ccccc2Cl)c(OC)c1OC ZINC000014961548 561748457 /nfs/dbraw/zinc/74/84/57/561748457.db2.gz OLFNUOKBBIASKG-UHFFFAOYSA-N 1 0 569.489 5.883 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH+]2CCC2)c1 ZINC000014961954 561748593 /nfs/dbraw/zinc/74/85/93/561748593.db2.gz VRASTFXCOUXZEC-XOUBVTBXSA-N 1 0 589.736 5.455 1 0 KKAFRO O=C1NCc2c(-c3ccccc3Cl)nc(N[C@@H]3C[NH+]4CCC3CC4)nc2N1c1c(Cl)cccc1Cl ZINC000014962982 561748708 /nfs/dbraw/zinc/74/87/08/561748708.db2.gz GVXWRVFQOVOOLI-HXUWFJFHSA-N 1 0 529.859 5.971 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2oc1=O ZINC000014962061 561748712 /nfs/dbraw/zinc/74/87/12/561748712.db2.gz RVLRVRRSGYQIIQ-UHFFFAOYSA-N 1 0 518.411 5.130 1 0 KKAFRO C[NH+](C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963796 561749294 /nfs/dbraw/zinc/74/92/94/561749294.db2.gz STGQYQZIWLRALS-UHFFFAOYSA-N 1 0 542.941 7.008 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCC[NH+](C)C)cc3)n2)c(OC)c1 ZINC000014965450 561749602 /nfs/dbraw/zinc/74/96/02/561749602.db2.gz PRFGCHAHYIAXCL-UHFFFAOYSA-N 1 0 557.651 6.132 1 0 KKAFRO Cc1cccc(C)c1OC(=O)N(c1cccc(-c2ccccc2)c1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000014965435 561749678 /nfs/dbraw/zinc/74/96/78/561749678.db2.gz GPYPLTYWZZWNHS-UHFFFAOYSA-N 1 0 584.724 7.593 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(C(F)(F)F)c2)=[NH+][C@H]1c1cccc(F)c1 ZINC000015937402 561753406 /nfs/dbraw/zinc/75/34/06/561753406.db2.gz REABKVXDQCTQIX-VWLOTQADSA-N 1 0 511.519 5.994 3 0 KKAFRO CC[C@@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017376894 561755065 /nfs/dbraw/zinc/75/50/65/561755065.db2.gz NHBYBGSYODBNPJ-PVTPYKNESA-N 1 0 569.621 6.931 3 0 KKAFRO c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545650 561755924 /nfs/dbraw/zinc/75/59/24/561755924.db2.gz HBTGLPUBYGXXKT-YWXNZHFBSA-N 1 0 517.716 9.042 3 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545770 561755978 /nfs/dbraw/zinc/75/59/78/561755978.db2.gz TYXRLGQICZVXEA-WUFINQPMSA-N 1 0 558.719 6.227 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000017545800 561755987 /nfs/dbraw/zinc/75/59/87/561755987.db2.gz NLLGCKOCGGPZQL-MUUNZHRXSA-N 1 0 598.740 6.616 3 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545818 561756131 /nfs/dbraw/zinc/75/61/31/561756131.db2.gz SCRRLRZNYGLGNP-CZNDPXEESA-N 1 0 635.805 6.564 3 0 KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017654995 561757795 /nfs/dbraw/zinc/75/77/95/561757795.db2.gz NSMBJRVAUNACHA-WUFINQPMSA-N 1 0 557.735 5.895 1 0 KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017654997 561757811 /nfs/dbraw/zinc/75/78/11/561757811.db2.gz NSMBJRVAUNACHA-NSOVKSMOSA-N 1 0 557.735 5.895 1 0 KKAFRO C[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)ccn1)c1ccccc1 ZINC000021289782 561758901 /nfs/dbraw/zinc/75/89/01/561758901.db2.gz ZLQKJFNLHHGAQF-IBGZPJMESA-N 1 0 505.588 6.808 1 0 KKAFRO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCN3CCc4c5ccccc5[nH]c4C3)CC2)cc1 ZINC000022441693 561759101 /nfs/dbraw/zinc/75/91/01/561759101.db2.gz LDFFNESLZJXVMY-UHFFFAOYSA-N 1 0 500.637 5.602 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000022449418 561759230 /nfs/dbraw/zinc/75/92/30/561759230.db2.gz XVJQXIUEEXVEKU-UHFFFAOYSA-N 1 0 562.600 5.004 1 0 KKAFRO CC(=O)O[C@H](CNc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924754 561759679 /nfs/dbraw/zinc/75/96/79/561759679.db2.gz XSOJJKZGFTXNMQ-SSEXGKCCSA-N 1 0 521.652 5.538 1 0 KKAFRO CC(C)N(CCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934256 561760618 /nfs/dbraw/zinc/76/06/18/561760618.db2.gz YLDZFBCNASIHQU-YTTGMZPUSA-N 1 0 534.188 7.355 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1 ZINC000022952943 561761214 /nfs/dbraw/zinc/76/12/14/561761214.db2.gz BQRFGIIHXOVNDN-UHFFFAOYSA-N 1 0 591.634 5.706 3 0 KKAFRO Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026152474 561767757 /nfs/dbraw/zinc/76/77/57/561767757.db2.gz LNGXWTLFKRGUFX-UHFFFAOYSA-N 1 0 582.651 5.674 1 0 KKAFRO Cc1ccnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941914 561761264 /nfs/dbraw/zinc/76/12/64/561761264.db2.gz DTKUANPECHGGBY-UNMCSNQZSA-N 1 0 502.625 5.479 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccccc4)nc3n2)CC1 ZINC000023357766 561761637 /nfs/dbraw/zinc/76/16/37/561761637.db2.gz QEXJMEVOCZLJQX-UHFFFAOYSA-N 1 0 565.509 5.692 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccccc3)CC[NH2+]2)c1 ZINC000024975749 561762581 /nfs/dbraw/zinc/76/25/81/561762581.db2.gz UKXYKYZOSFWZIM-FLQGXGFZSA-N 1 0 605.770 5.848 1 0 in-vitro KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000025421646 561762788 /nfs/dbraw/zinc/76/27/88/561762788.db2.gz PXQITGQLJXJUBG-LJAQVGFWSA-N 1 0 624.710 6.557 1 0 KKAFRO c1cc2c(NCCCN3CC[NH+](CCCNc4nc5ccsc5n5cccc45)CC3)nc3ccsc3n2c1 ZINC000026152048 561767826 /nfs/dbraw/zinc/76/78/26/561767826.db2.gz YZIOXNNMXGAPDH-UHFFFAOYSA-N 1 0 544.754 5.333 1 0 KKAFRO CCCc1cn(CC(=O)N(CC[NH+](CC)CC)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000026008530 561765721 /nfs/dbraw/zinc/76/57/21/561765721.db2.gz LYHMZZTVHAMCGN-UHFFFAOYSA-N 1 0 668.801 7.684 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(NS(=O)(=O)C(C)C)cc2)c1 ZINC000026016754 561766334 /nfs/dbraw/zinc/76/63/34/561766334.db2.gz IPBDSWKOFMPJOU-UHFFFAOYSA-N 1 0 517.739 6.757 1 0 KKAFRO COc1ccc(OC[C@H](O)C[NH+]2CCC(N(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026162934 561768679 /nfs/dbraw/zinc/76/86/79/561768679.db2.gz LRGXNDRYQBWFPC-RUZDIDTESA-N 1 0 513.009 5.039 1 0 KKAFRO COc1ccc2c(c1)nc(NCCCN1CC[NH+](CCCNc3nc4cc(OC)ccc4n4cccc34)CC1)c1cccn12 ZINC000026163727 561768799 /nfs/dbraw/zinc/76/87/99/561768799.db2.gz QOPYENPJTQQFNN-UHFFFAOYSA-N 1 0 592.748 5.227 1 0 KKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000026166008 561769175 /nfs/dbraw/zinc/76/91/75/561769175.db2.gz YVJCKFKMZVODMS-RDPSFJRHSA-N 1 0 512.597 6.099 1 0 KKAFRO CCc1c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] ZINC000026264004 561775967 /nfs/dbraw/zinc/77/59/67/561775967.db2.gz UMYSZUCCPHMZDA-UHFFFAOYSA-N 1 0 628.770 5.313 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270502 561777148 /nfs/dbraw/zinc/77/71/48/561777148.db2.gz JAPKDYAEBPSGFI-WJOKGBTCSA-N 1 0 519.707 7.193 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCC[C@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275489 561778160 /nfs/dbraw/zinc/77/81/60/561778160.db2.gz BPCHCQPFSUPHAR-HKBQPEDESA-N 1 0 507.715 7.994 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(O)cc1 ZINC000026282091 561779187 /nfs/dbraw/zinc/77/91/87/561779187.db2.gz JLYJMHQUIUPIOV-KYJUHHDHSA-N 1 0 573.734 5.100 1 0 KKAFRO COc1ccc(-c2nc3n(c2CN2CCC[N@H+](C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026283916 561779574 /nfs/dbraw/zinc/77/95/74/561779574.db2.gz HHIWRTNTGVLRPY-UHFFFAOYSA-N 1 0 609.702 5.201 1 0 KKAFRO O=C(N[C@@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1ccc2ccccc2c1)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376301 561782020 /nfs/dbraw/zinc/78/20/20/561782020.db2.gz XUTLWPMTEHHPAS-SSEXGKCCSA-N 1 0 543.111 6.216 1 0 KKAFRO NC(=[NH2+])c1ccc(C[C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026380357 561783197 /nfs/dbraw/zinc/78/31/97/561783197.db2.gz PEPDBOTWGZBWKM-HHHXNRCGSA-N 1 0 529.533 6.117 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC([NH+](C)C)CC3)c3ccccc32)cc1 ZINC000026380656 561783343 /nfs/dbraw/zinc/78/33/43/561783343.db2.gz LVTAYNFTXWQUMY-NHFJDJAPSA-N 1 0 576.644 5.462 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)cc1 ZINC000026388454 561785109 /nfs/dbraw/zinc/78/51/09/561785109.db2.gz FFQHMGVLEWVYDV-UHFFFAOYSA-N 1 0 604.751 6.874 1 0 KKAFRO NC([NH3+])c1ccc([C@@H](NC(=O)OCc2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389937 561785535 /nfs/dbraw/zinc/78/55/35/561785535.db2.gz IYXRXSXQZIARNW-HKBQPEDESA-N 1 0 567.582 7.032 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7ccccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026392975 561786136 /nfs/dbraw/zinc/78/61/36/561786136.db2.gz XRZABVXOXGEMQZ-UHFFFAOYSA-N 1 0 640.802 5.898 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026397659 561787382 /nfs/dbraw/zinc/78/73/82/561787382.db2.gz WYCVSPRVSFUVMA-MHZLTWQESA-N 1 0 515.506 6.247 1 0 KKAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466845 561789859 /nfs/dbraw/zinc/78/98/59/561789859.db2.gz JBVORPHTFJNKFO-FNZWTVRRSA-N 1 0 543.678 5.654 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480382 561791564 /nfs/dbraw/zinc/79/15/64/561791564.db2.gz CAVUSKSPYRUUNP-REEKRWBWSA-N 1 0 635.522 5.179 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026483885 561792169 /nfs/dbraw/zinc/79/21/69/561792169.db2.gz XTKPQVFOCUYODU-CHTIKVTKSA-N 1 0 573.067 5.145 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC[C@@H]1CCCCO1 ZINC000026493651 561793902 /nfs/dbraw/zinc/79/39/02/561793902.db2.gz WMCZYQALENMCCM-BFHSIIEUSA-N 1 0 634.629 5.238 1 0 KKAFRO CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026495071 561794183 /nfs/dbraw/zinc/79/41/83/561794183.db2.gz AETDPCXHZHTWQD-GDLZYMKVSA-N 1 0 655.261 5.747 1 0 KKAFRO COC(=O)N(Cc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026495976 561794315 /nfs/dbraw/zinc/79/43/15/561794315.db2.gz DCZWOGGQUQFEII-MUUNZHRXSA-N 1 0 549.737 5.214 1 0 KKAFRO CCCCCNC(=O)c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000026296263 561781647 /nfs/dbraw/zinc/78/16/47/561781647.db2.gz FQUPBNAFOTVDFH-GDLZYMKVSA-N 1 0 554.735 5.365 1 0 KKAFRO CCCN(C(=O)COc1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026503329 561796030 /nfs/dbraw/zinc/79/60/30/561796030.db2.gz XERFUSFVPGQKBI-LJAQVGFWSA-N 1 0 577.791 5.263 1 0 KKAFRO O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(CCc1ccc(F)cc1)Cc1c[nH]cn1 ZINC000026653536 561808883 /nfs/dbraw/zinc/80/88/83/561808883.db2.gz YLAGBKMELLGWRV-UHFFFAOYSA-N 1 0 561.510 5.622 1 0 KKAFRO CCCCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026568054 561797514 /nfs/dbraw/zinc/79/75/14/561797514.db2.gz XEUUSWNADIRPSG-WJOKGBTCSA-N 1 0 591.818 6.384 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OCCCC3CCCCC3)cc2)cc1 ZINC000026569752 561797777 /nfs/dbraw/zinc/79/77/77/561797777.db2.gz INHFSVLNFMQBGJ-OUKQBFOZSA-N 1 0 709.979 10.826 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(OC)cc1 ZINC000026577437 561801606 /nfs/dbraw/zinc/80/16/06/561801606.db2.gz VHYJQKUBUIGDCY-XSHDXORVSA-N 1 0 593.768 6.532 1 0 KKAFRO COc1ccc(S(=O)(=O)N(C)C[C@@H](CC[NH+]2CCC3(C[S@](=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026577813 561802361 /nfs/dbraw/zinc/80/23/61/561802361.db2.gz CBYZGFYDJQMMJL-QFGCMMRWSA-N 1 0 621.652 5.951 1 0 KKAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026578167 561802778 /nfs/dbraw/zinc/80/27/78/561802778.db2.gz HEBWZPZBOOBUDH-UHFFFAOYSA-N 1 0 638.078 5.714 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 ZINC000026578891 561803909 /nfs/dbraw/zinc/80/39/09/561803909.db2.gz UQMQSJFZKTWCCK-ILXYDQFHSA-N 1 0 630.663 6.424 1 0 KKAFRO CCN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026579365 561804519 /nfs/dbraw/zinc/80/45/19/561804519.db2.gz JHFSXSQRPYGVML-RJNCKGSUSA-N 1 0 605.653 6.333 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000026640034 561806457 /nfs/dbraw/zinc/80/64/57/561806457.db2.gz WJRKWJSQVYFSFK-VQPGRYLNSA-N 1 0 607.751 6.252 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000026641201 561806585 /nfs/dbraw/zinc/80/65/85/561806585.db2.gz ZHANHEXWYCKKNE-PNBVQZGLSA-N 1 0 557.181 5.289 1 0 KKAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]CCOCc1ccccc1 ZINC000026645475 561807367 /nfs/dbraw/zinc/80/73/67/561807367.db2.gz ZIZBIRMUXINVJY-MGBGTMOVSA-N 1 0 643.792 5.473 1 0 KKAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649285 561808098 /nfs/dbraw/zinc/80/80/98/561808098.db2.gz UJGYNDPRZZIZJY-KDXMTYKHSA-N 1 0 622.900 5.131 1 0 KKAFRO [NH3+]CCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)Sc2ccccc2CN(Cc2cccc3ccccc32)C1=O ZINC000026664812 561811046 /nfs/dbraw/zinc/81/10/46/561811046.db2.gz DPFSKVDOMILXPL-ZQWAWDFXSA-N 1 0 576.766 6.181 1 0 KKAFRO CC(=O)c1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026665653 561811113 /nfs/dbraw/zinc/81/11/13/561811113.db2.gz ZAUVKXIKUDIRRJ-CGQQATSGSA-N 1 0 649.684 8.212 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(F)cc2ccccc21 ZINC000026670501 561812190 /nfs/dbraw/zinc/81/21/90/561812190.db2.gz OOXDXFUQQOUCNQ-MSYMSKFLSA-N 1 0 625.637 8.149 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc(Cl)cc2Cl)c1 ZINC000026827154 561822284 /nfs/dbraw/zinc/82/22/84/561822284.db2.gz GITLLSKKQAZZKU-RRPNLBNLSA-N 1 0 532.515 7.164 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccc(OC)c(OC)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026716030 561814056 /nfs/dbraw/zinc/81/40/56/561814056.db2.gz OEJHRMYSNOPXGZ-VQJSHJPSSA-N 1 0 728.887 5.885 1 0 KKAFRO CC(C)([NH3+])CCCS[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026827252 561822229 /nfs/dbraw/zinc/82/22/29/561822229.db2.gz RFPOEVHGNUPAGK-MHZLTWQESA-N 1 0 526.710 5.632 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 ZINC000026821710 561821182 /nfs/dbraw/zinc/82/11/82/561821182.db2.gz NGYXFSALIODLKO-JBOQNHBVSA-N 1 0 704.750 5.297 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026831230 561822949 /nfs/dbraw/zinc/82/29/49/561822949.db2.gz VHXLXWPIPOBSLS-XRKRLSELSA-N 1 0 516.085 5.856 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026831226 561822960 /nfs/dbraw/zinc/82/29/60/561822960.db2.gz VHXLXWPIPOBSLS-LMSSTIIKSA-N 1 0 516.085 5.856 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000026832160 561823193 /nfs/dbraw/zinc/82/31/93/561823193.db2.gz PHJLCZFCACXHBM-UFEOWHGLSA-N 1 0 563.098 6.436 1 0 KKAFRO O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026836909 561824670 /nfs/dbraw/zinc/82/46/70/561824670.db2.gz NOBMOTJUFCITOE-XZWHSSHBSA-N 1 0 601.838 6.064 1 0 KKAFRO C[NH+](C)CCCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000026838819 561825212 /nfs/dbraw/zinc/82/52/12/561825212.db2.gz AZCBEWVFZCGQLB-FAIXQHPJSA-N 1 0 626.801 6.973 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026840032 561825545 /nfs/dbraw/zinc/82/55/45/561825545.db2.gz LUOBBLNPKHVPJK-MMEOBGCCSA-N 1 0 635.809 6.102 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCC[NH+](C)C)CC3)Cc3ccccc32)cc1 ZINC000026840452 561825605 /nfs/dbraw/zinc/82/56/05/561825605.db2.gz DDDKWJJIQKFHHH-UMSFTDKQSA-N 1 0 568.693 5.364 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026840028 561825612 /nfs/dbraw/zinc/82/56/12/561825612.db2.gz LUOBBLNPKHVPJK-BYYXFNHRSA-N 1 0 635.809 6.102 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026840899 561825685 /nfs/dbraw/zinc/82/56/85/561825685.db2.gz LSXRJFMSLRBEHB-FSPIHMFUSA-N 1 0 579.491 7.091 1 0 KKAFRO COc1cc(CC(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846818 561826616 /nfs/dbraw/zinc/82/66/16/561826616.db2.gz STZNIAPDQODKPV-PMERELPUSA-N 1 0 669.650 5.228 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848200 561826898 /nfs/dbraw/zinc/82/68/98/561826898.db2.gz KIZBDFRCUJNMND-LJAQVGFWSA-N 1 0 582.576 5.218 1 0 KKAFRO CCn1c(=O)/c(=C/C=C2\Sc3ccc4ccccc4c3N2CC)s/c1=C\C1=[N+](CC)[C@@H]2C=Cc3ccccc3[C@H]2S1 ZINC000026938157 561827817 /nfs/dbraw/zinc/82/78/17/561827817.db2.gz HCZMYZQEAXQBEE-DJJWYJALSA-N 1 0 594.851 6.432 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc(C)c6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027094915 561837863 /nfs/dbraw/zinc/83/78/63/561837863.db2.gz LTJMQIGVDRWXTF-UHFFFAOYSA-N 1 0 618.796 5.361 1 0 KKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027095583 561837978 /nfs/dbraw/zinc/83/79/78/561837978.db2.gz VQQDNJPWCBDBIN-XZLGBSMGSA-N 1 0 518.657 5.489 1 0 KKAFRO COc1ccc([S@@](=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027100757 561838652 /nfs/dbraw/zinc/83/86/52/561838652.db2.gz GWYBBAGPQDTKBI-HUESYALOSA-N 1 0 588.770 5.387 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](C[C@H](C)OCc2ccccc2)c2ccccc2)CC1 ZINC000027108492 561840829 /nfs/dbraw/zinc/84/08/29/561840829.db2.gz DXVIZQRYEHUENT-GMCHKSTQSA-N 1 0 528.737 7.279 1 0 KKAFRO C[C@@H](C[C@@H](CC[NH+]1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179887 561841645 /nfs/dbraw/zinc/84/16/45/561841645.db2.gz ONTDQIVDLLQOGA-BHBYDHKZSA-N 1 0 519.751 6.263 1 0 KKAFRO C[N@H+](Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191937 561843607 /nfs/dbraw/zinc/84/36/07/561843607.db2.gz FOXVBEONEKPPOA-UHFFFAOYSA-N 1 0 594.687 6.422 1 0 KKAFRO C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000027202318 561845320 /nfs/dbraw/zinc/84/53/20/561845320.db2.gz IJYZMCPKJNTQOS-HXUWFJFHSA-N 1 0 550.619 5.014 1 0 KKAFRO C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000027203392 561845487 /nfs/dbraw/zinc/84/54/87/561845487.db2.gz LWRRCCZYPCEPTK-FQEVSTJZSA-N 1 0 550.619 5.014 1 0 KKAFRO O=C(NCCCCO)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027298677 561848625 /nfs/dbraw/zinc/84/86/25/561848625.db2.gz XKODNICTPMTYQO-UHFFFAOYSA-N 1 0 564.170 5.462 1 0 KKAFRO CC(C)(C)NC(=O)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027298332 561848660 /nfs/dbraw/zinc/84/86/60/561848660.db2.gz IQAOPXDQHGLJKW-UHFFFAOYSA-N 1 0 548.171 6.488 1 0 KKAFRO CC[NH+](CC)CCO/N=C1\C=C[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]32)C1(C)C ZINC000027410499 561856277 /nfs/dbraw/zinc/85/62/77/561856277.db2.gz KPLRMIZYYDOWGI-PYONYFCHSA-N 1 0 550.784 7.384 1 0 KKAFRO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[C@@H]([NH+]5CCCCC5)C[C@@H]43)C2=O)cc1 ZINC000101391661 554755224 /nfs/dbraw/zinc/75/52/24/554755224.db2.gz FHGMGORRSXHTRZ-OGBYTVIASA-N 1 0 579.539 5.414 2 0 KKAFRO CN(c1nc2ccccc2s1)C1CC[NH+](CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430830 561859320 /nfs/dbraw/zinc/85/93/20/561859320.db2.gz JQMDACVTWFQSGE-PMERELPUSA-N 1 0 594.891 7.162 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12 ZINC000027437096 561860297 /nfs/dbraw/zinc/86/02/97/561860297.db2.gz ZGWTZTNRPVIWNM-XIFFEERXSA-N 1 0 575.503 7.507 1 0 KKAFRO COc1ccccc1[C@H]([C@@H]1CCCCN1C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027440516 561860704 /nfs/dbraw/zinc/86/07/04/561860704.db2.gz RLHGGWYQVKICLX-QCENPCRXSA-N 1 0 625.698 7.348 1 0 KKAFRO COc1cccc([C@@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1OC ZINC000027517277 561861048 /nfs/dbraw/zinc/86/10/48/561861048.db2.gz YIMFULYKLFRIFR-AREMUKBSSA-N 1 0 615.659 6.434 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCCNC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027443412 561861074 /nfs/dbraw/zinc/86/10/74/561861074.db2.gz ZTDASVGLWSALBL-URLMMPGGSA-N 1 0 589.161 5.488 1 0 KKAFRO COc1ccccc1[C@H]([C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517323 561861097 /nfs/dbraw/zinc/86/10/97/561861097.db2.gz OIPUCUYEXWXJEQ-LMSSTIIKSA-N 1 0 611.671 7.419 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027517513 561861328 /nfs/dbraw/zinc/86/13/28/561861328.db2.gz PBZUGIXUZZZNKG-HXUWFJFHSA-N 1 0 532.044 5.419 1 0 KKAFRO CCN(CC)C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000027517829 561861617 /nfs/dbraw/zinc/86/16/17/561861617.db2.gz HBVFRTCYTVCJQE-NRFANRHFSA-N 1 0 510.078 5.858 1 0 KKAFRO Cc1cc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@@H]2CCCC[NH2+]2)no1 ZINC000027518100 561861860 /nfs/dbraw/zinc/86/18/60/561861860.db2.gz SMVAMPPQTYYNLU-FQEVSTJZSA-N 1 0 535.044 5.925 1 0 KKAFRO C[C@H](OC(=O)C(C)(C)C)[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027518227 561862090 /nfs/dbraw/zinc/86/20/90/561862090.db2.gz RCZUBJQVSFQLNY-ULKXQASOSA-N 1 0 639.773 7.199 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3C[NH2+]CC[C@H]3c3ccccc3)c2=O)cc1 ZINC000027518401 561862237 /nfs/dbraw/zinc/86/22/37/561862237.db2.gz LQUHPSCNOVBDIJ-AXRGIPJOSA-N 1 0 603.188 5.876 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccccc1Br)N1CCC([NH+]2CCCCC2)CC1 ZINC000027518517 561862439 /nfs/dbraw/zinc/86/24/39/561862439.db2.gz IKLSMBSHBLSZOC-VWLOTQADSA-N 1 0 620.476 6.837 1 0 KKAFRO Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027519433 561863045 /nfs/dbraw/zinc/86/30/45/561863045.db2.gz QHHGCBRDJMDQEW-DHLKQENFSA-N 1 0 579.711 6.541 1 0 KKAFRO CCc1ccccc1-c1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000027519484 561863124 /nfs/dbraw/zinc/86/31/24/561863124.db2.gz KJRMSZFCCVITKM-SFGBRAKXSA-N 1 0 545.683 6.044 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027520442 561863510 /nfs/dbraw/zinc/86/35/10/561863510.db2.gz JFZUBUPLMKFLQR-XZWHSSHBSA-N 1 0 519.645 5.401 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027524712 561865802 /nfs/dbraw/zinc/86/58/02/561865802.db2.gz ABJKTLXATIQLEH-PMERELPUSA-N 1 0 638.662 5.938 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000027546561 561866925 /nfs/dbraw/zinc/86/69/25/561866925.db2.gz RHXUHKXGDLYHEX-UHFFFAOYSA-N 1 0 537.148 6.472 1 0 KKAFRO C[NH+]1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000027558552 561870011 /nfs/dbraw/zinc/87/00/11/561870011.db2.gz BHWYCHMTRSNAIB-UHFFFAOYSA-N 1 0 539.488 6.465 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCO[C@@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027623365 561872836 /nfs/dbraw/zinc/87/28/36/561872836.db2.gz YBYSBOXLPMEIAC-ZQWAWDFXSA-N 1 0 578.584 6.202 1 0 KKAFRO [NH3+]CCCN(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000027706266 561878873 /nfs/dbraw/zinc/87/88/73/561878873.db2.gz GPUVKSUKPVYEKQ-UHFFFAOYSA-N 1 0 678.873 9.354 1 0 KKAFRO CCSc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027655886 561877570 /nfs/dbraw/zinc/87/75/70/561877570.db2.gz MMGASXVPDCANQY-BMRADRMJSA-N 1 0 514.739 5.510 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000027657142 561877950 /nfs/dbraw/zinc/87/79/50/561877950.db2.gz BEEQXPRIGOACQA-HSZRJFAPSA-N 1 0 619.515 7.404 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4n3)cc1)CC2 ZINC000027704400 561878523 /nfs/dbraw/zinc/87/85/23/561878523.db2.gz WZBUOTYBWCZPCQ-UHFFFAOYSA-N 1 0 587.680 5.752 1 0 KKAFRO CCCCCOc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705440 561878598 /nfs/dbraw/zinc/87/85/98/561878598.db2.gz YZEJKUXYDBJSNK-HTXNQAPBSA-N 1 0 540.752 5.967 1 0 KKAFRO CCOc1c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1C(C)(C)C ZINC000027729873 561881133 /nfs/dbraw/zinc/88/11/33/561881133.db2.gz HENGMAHQPJILJD-UHFFFAOYSA-N 1 0 533.454 5.421 1 0 KKAFRO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027733512 561881553 /nfs/dbraw/zinc/88/15/53/561881553.db2.gz RQMJGCSUBDMHRC-JOCHJYFZSA-N 1 0 612.146 5.384 1 0 KKAFRO COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742380 561882663 /nfs/dbraw/zinc/88/26/63/561882663.db2.gz YZWWEMUJDZEDSE-FTJBHMTQSA-N 1 0 525.070 5.624 1 0 KKAFRO COC(=O)c1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C)c3)n2)c1 ZINC000027767390 561884752 /nfs/dbraw/zinc/88/47/52/561884752.db2.gz ZOGPNWQQEVASDS-UHFFFAOYSA-N 1 0 648.770 6.372 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCN1c3ccccc3Sc3ccc(Cl)cc31)CC2 ZINC000027862529 561887284 /nfs/dbraw/zinc/88/72/84/561887284.db2.gz WGSKZGGLEWJNMW-UHFFFAOYSA-N 1 0 505.087 5.761 1 0 KKAFRO COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1C[NH+]1CCCC1 ZINC000027873904 561888525 /nfs/dbraw/zinc/88/85/25/561888525.db2.gz HVFMQUBMQJSGAC-UHFFFAOYSA-N 1 0 619.809 5.138 1 0 KKAFRO CN(CC[NH+](C)C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 ZINC000027876686 561888684 /nfs/dbraw/zinc/88/86/84/561888684.db2.gz YLNCPTHZHRDLCS-UHFFFAOYSA-N 1 0 632.208 7.263 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(I)cc1 ZINC000027881039 561889163 /nfs/dbraw/zinc/88/91/63/561889163.db2.gz HZPBHIYUBKUMQF-DQSJHHFOSA-N 1 0 649.354 7.740 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3ccc(F)cc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027881397 561889169 /nfs/dbraw/zinc/88/91/69/561889169.db2.gz IOWNITOQAKITTC-SSEXGKCCSA-N 1 0 508.609 5.401 1 0 KKAFRO O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027882675 561889187 /nfs/dbraw/zinc/88/91/87/561889187.db2.gz KMGAJUYDQHGRHG-RUZDIDTESA-N 1 0 648.471 8.274 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887121 561889587 /nfs/dbraw/zinc/88/95/87/561889587.db2.gz IRAHZTFWKBJEBI-SSEXGKCCSA-N 1 0 525.064 5.915 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3ccccc3Cl)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887156 561889589 /nfs/dbraw/zinc/88/95/89/561889589.db2.gz UTUCRGRDOADXJQ-SSEXGKCCSA-N 1 0 525.064 5.915 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccnc3nc(C)ccc23)c1 ZINC000027901648 561891093 /nfs/dbraw/zinc/89/10/93/561891093.db2.gz JXIODNMIQAKUGB-DMBJWNJESA-N 1 0 641.904 8.850 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cccc3cnccc32)c1 ZINC000027981539 561891705 /nfs/dbraw/zinc/89/17/05/561891705.db2.gz MNTVJSYTLLQKAC-WTIAOWAESA-N 1 0 598.835 8.367 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3ocnc3c2)c1 ZINC000027982512 561891835 /nfs/dbraw/zinc/89/18/35/561891835.db2.gz LORMBKZNVFUJGB-WDEPAJCISA-N 1 0 588.796 7.960 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)c3ccccc3CS4(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997764 561894144 /nfs/dbraw/zinc/89/41/44/561894144.db2.gz DEGCEPYVVJVQIG-YTTGMZPUSA-N 1 0 675.631 5.654 1 0 KKAFRO COc1ccc(OCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028000617 561894699 /nfs/dbraw/zinc/89/46/99/561894699.db2.gz YHANNGGLPWSWDN-HKBQPEDESA-N 1 0 530.690 6.216 1 0 KKAFRO Cc1cccc(C(=O)N2CCC([NH+]3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C ZINC000028004361 561895219 /nfs/dbraw/zinc/89/52/19/561895219.db2.gz HGNHDNMSOVDSPL-UHFFFAOYSA-N 1 0 576.715 5.013 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CCC(C)(C)C ZINC000028005339 561895373 /nfs/dbraw/zinc/89/53/73/561895373.db2.gz GZRNNHCCNOMIAZ-NSOVKSMOSA-N 1 0 551.772 5.631 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006360 561895640 /nfs/dbraw/zinc/89/56/40/561895640.db2.gz RPCZLCGFLIHYAS-MRPJDYLLSA-N 1 0 579.160 6.798 1 0 KKAFRO COc1ccc(OCCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028008433 561895959 /nfs/dbraw/zinc/89/59/59/561895959.db2.gz LWRRCCPIMMTAQR-MGBGTMOVSA-N 1 0 558.744 6.997 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cn4)cc3)c2)CC1 ZINC000028017778 561897732 /nfs/dbraw/zinc/89/77/32/561897732.db2.gz NSAUHJNSLPKLQA-UHFFFAOYSA-N 1 0 560.485 6.312 1 0 KKAFRO CC(=O)OC1(c2ccccc2)CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010730 561896265 /nfs/dbraw/zinc/89/62/65/561896265.db2.gz DQMORGOZRPDLAR-AREMUKBSSA-N 1 0 553.530 6.794 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028009828 561896268 /nfs/dbraw/zinc/89/62/68/561896268.db2.gz NICFFCSRVUXGOH-MGBGTMOVSA-N 1 0 594.774 6.602 1 0 KKAFRO CCn1nc(CCc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011839 561896503 /nfs/dbraw/zinc/89/65/03/561896503.db2.gz DXAUQEOHONCARU-FFPQSLRISA-N 1 0 600.823 6.756 1 0 KKAFRO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013628 561896800 /nfs/dbraw/zinc/89/68/00/561896800.db2.gz YTYBDTOBXSWUBR-XXSKFNENSA-N 1 0 638.828 7.429 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015674 561897290 /nfs/dbraw/zinc/89/72/90/561897290.db2.gz DYYAUPMKHPMGJX-SCBPGGBZSA-N 1 0 616.822 6.568 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016648 561897467 /nfs/dbraw/zinc/89/74/67/561897467.db2.gz NYXHSNJGOQCTBS-MQMFKJKRSA-N 1 0 644.754 6.926 1 0 KKAFRO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018261 561897867 /nfs/dbraw/zinc/89/78/67/561897867.db2.gz SXKNFGNGCSTXQU-HBBZNRFGSA-N 1 0 662.894 8.228 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](CC[C@@H](CNC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028020544 561898410 /nfs/dbraw/zinc/89/84/10/561898410.db2.gz YJNZRHCZFWPFOF-VWLOTQADSA-N 1 0 538.519 6.025 1 0 KKAFRO CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028021351 561898510 /nfs/dbraw/zinc/89/85/10/561898510.db2.gz LDTUIPCDYVXKIB-AUFCLJJTSA-N 1 0 618.838 6.814 1 0 KKAFRO CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086017 561898982 /nfs/dbraw/zinc/89/89/82/561898982.db2.gz OTAQHXMWYBKCMQ-FAQYSXNFSA-N 1 0 630.849 6.959 1 0 KKAFRO CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCC[NH+]3CCC(O)(c4ccccc4)CC3)c2c1 ZINC000028023131 561899007 /nfs/dbraw/zinc/89/90/07/561899007.db2.gz QFONBAGGFNXIEH-UHFFFAOYSA-N 1 0 552.759 7.209 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086192 561899127 /nfs/dbraw/zinc/89/91/27/561899127.db2.gz NYXHSNJGOQCTBS-KLTPPHAJSA-N 1 0 644.754 6.926 1 0 KKAFRO CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087170 561899237 /nfs/dbraw/zinc/89/92/37/561899237.db2.gz KEJUVQKLDUSQJY-AAMSNGAJSA-N 1 0 582.711 5.915 1 0 KKAFRO O=C(CCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028108006 561902688 /nfs/dbraw/zinc/90/26/88/561902688.db2.gz GBOCTZMLOKKIHJ-UHFFFAOYSA-N 1 0 704.937 8.286 1 0 KKAFRO CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087288 561899388 /nfs/dbraw/zinc/89/93/88/561899388.db2.gz NDWYKTGTDRMPDY-QOCRQHEPSA-N 1 0 658.781 6.968 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088257 561899555 /nfs/dbraw/zinc/89/95/55/561899555.db2.gz KXTISGVXSYBLGP-MQMFKJKRSA-N 1 0 626.764 6.629 1 0 KKAFRO COc1c(C)cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1C ZINC000028089715 561899661 /nfs/dbraw/zinc/89/96/61/561899661.db2.gz CDLIUHVXEYVLGX-MGBGTMOVSA-N 1 0 608.610 6.312 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099409 561901329 /nfs/dbraw/zinc/90/13/29/561901329.db2.gz HLZAJLBSYWFNOU-DDEBSJFKSA-N 1 0 666.882 7.606 1 0 KKAFRO O=C(OCC1(N(C(=O)c2ccccc2)c2ccccc2)CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000028099386 561901344 /nfs/dbraw/zinc/90/13/44/561901344.db2.gz SLGLPVWATSKMNM-UHFFFAOYSA-N 1 0 524.686 6.329 1 0 KKAFRO C[NH+](C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028102365 561901818 /nfs/dbraw/zinc/90/18/18/561901818.db2.gz KLCAZWBNRXOFBZ-UHFFFAOYSA-N 1 0 636.818 6.582 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000028106008 561902302 /nfs/dbraw/zinc/90/23/02/561902302.db2.gz BGOXVMFCSBFTSC-JYFHCDHNSA-N 1 0 584.602 6.267 1 0 KKAFRO O=C(c1ccccc1)c1ccc2c(c1O)N[C@H](c1ccccc1)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113321 561903369 /nfs/dbraw/zinc/90/33/69/561903369.db2.gz IMGVLHPPOZVQNA-NQVJXQQZSA-N 1 0 526.636 6.917 1 0 KKAFRO C[NH+](C)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000028117357 561903919 /nfs/dbraw/zinc/90/39/19/561903919.db2.gz MVMGNWUSDKNEKN-UHFFFAOYSA-N 1 0 540.627 5.047 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028117772 561904031 /nfs/dbraw/zinc/90/40/31/561904031.db2.gz OYAAORMDJYHTDT-HXUWFJFHSA-N 1 0 639.512 8.277 1 0 KKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118202 561904126 /nfs/dbraw/zinc/90/41/26/561904126.db2.gz DVSQLFNJLACVQQ-OAQYLSRUSA-N 1 0 530.927 8.141 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028122913 561904665 /nfs/dbraw/zinc/90/46/65/561904665.db2.gz MSTVZNMCSCYCDP-HTGHOQDLSA-N 1 0 559.776 5.168 1 0 KKAFRO CCOc1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028128133 561905272 /nfs/dbraw/zinc/90/52/72/561905272.db2.gz XIBAWCRPBIJJIA-YTTGMZPUSA-N 1 0 557.735 5.639 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(N2C[C@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028129328 561905412 /nfs/dbraw/zinc/90/54/12/561905412.db2.gz ZXOCLNODMLUZQA-POURPWNDSA-N 1 0 547.721 5.139 1 0 KKAFRO COc1cccc(C[NH+](CCOc2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)Cc2cccc(OC)c2)c1 ZINC000028135961 561906610 /nfs/dbraw/zinc/90/66/10/561906610.db2.gz KABVIZGNGLEFOI-UHFFFAOYSA-N 1 0 556.684 5.977 1 0 KKAFRO COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028225150 561907753 /nfs/dbraw/zinc/90/77/53/561907753.db2.gz VRTXCWRCLYTNCU-UHFFFAOYSA-N 1 0 558.744 6.180 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C3CC[NH+](Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 ZINC000028240950 561910377 /nfs/dbraw/zinc/91/03/77/561910377.db2.gz UACUPFJPFIOIQB-HEHNFIMWSA-N 1 0 515.679 5.067 1 0 KKAFRO CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028243278 561910627 /nfs/dbraw/zinc/91/06/27/561910627.db2.gz VXBSDEGPDWQFGQ-NTCAYCPXSA-N 1 0 521.661 5.266 1 0 KKAFRO Cn1c2ccc(Cl)cc2n(C2CC[NH+](CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028331940 561912793 /nfs/dbraw/zinc/91/27/93/561912793.db2.gz IDXJXPRQHWCZJP-UHFFFAOYSA-N 1 0 652.048 5.209 1 0 KKAFRO COc1ccccc1CC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028336411 561913327 /nfs/dbraw/zinc/91/33/27/561913327.db2.gz DWWZDRDKNJDHBS-XIFFEERXSA-N 1 0 557.735 5.178 1 0 KKAFRO COc1cccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3[C@H]2C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000028339016 561913700 /nfs/dbraw/zinc/91/37/00/561913700.db2.gz HORWRIGXBCFCJJ-XIFFEERXSA-N 1 0 557.735 5.178 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCc1ccccc1)C(C)C ZINC000028341109 561914112 /nfs/dbraw/zinc/91/41/12/561914112.db2.gz WYJGTOWLSHKYOK-XIFFEERXSA-N 1 0 541.736 5.559 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)[C@H](C)c1ccccc1)C(C)C ZINC000028341580 561914271 /nfs/dbraw/zinc/91/42/71/561914271.db2.gz RJFXQJUFBZNFJI-HVIPQOSHSA-N 1 0 541.736 5.730 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028343927 561914509 /nfs/dbraw/zinc/91/45/09/561914509.db2.gz SHJZDANEWLENMX-SANMLTNESA-N 1 0 563.661 6.567 1 0 KKAFRO COc1ccc(-c2nc3n(c2CN(C)C2CC[NH+](C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000028237639 561910044 /nfs/dbraw/zinc/91/00/44/561910044.db2.gz QZOGVIUKUHMTRT-UHFFFAOYSA-N 1 0 623.729 5.589 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)N[C@@H]3CCCC[C@H]3C(=O)NCc3ccccc3)c2c1 ZINC000028352506 561915681 /nfs/dbraw/zinc/91/56/81/561915681.db2.gz BILPYABKAWIYLJ-MAARLIENSA-N 1 0 538.717 5.503 1 0 KKAFRO CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028352300 561915710 /nfs/dbraw/zinc/91/57/10/561915710.db2.gz GYPFAEWXVYDPLO-UHFFFAOYSA-N 1 0 510.600 6.273 1 0 KKAFRO Cc1c(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028363647 561917159 /nfs/dbraw/zinc/91/71/59/561917159.db2.gz KBKLRZFKELJNLR-MHZLTWQESA-N 1 0 586.708 6.433 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(N2CCN(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC ZINC000028370921 561918265 /nfs/dbraw/zinc/91/82/65/561918265.db2.gz OASZBAOUTXPGJU-UHFFFAOYSA-N 1 0 502.615 5.006 1 0 KKAFRO Cc1c(-c2csc(-c3ccc4c(c3)CCO4)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028372416 561918631 /nfs/dbraw/zinc/91/86/31/561918631.db2.gz ZVAOHTOLWMUTDX-VWLOTQADSA-N 1 0 572.637 5.070 1 0 KKAFRO COc1cc(NC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000028383294 561920459 /nfs/dbraw/zinc/92/04/59/561920459.db2.gz LWTKYSUTMDBJSO-UHFFFAOYSA-N 1 0 502.615 5.737 1 0 KKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4cc(F)ccc4Br)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028376896 561919371 /nfs/dbraw/zinc/91/93/71/561919371.db2.gz IPLPPMQLYXZJBR-UHFFFAOYSA-N 1 0 530.434 5.622 1 0 KKAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000028383376 561920483 /nfs/dbraw/zinc/92/04/83/561920483.db2.gz GIDPWFFAZCUBJU-GOSISDBHSA-N 1 0 541.035 6.061 1 0 KKAFRO Cc1c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028380574 561920005 /nfs/dbraw/zinc/92/00/05/561920005.db2.gz YUSXJQGVXATZDX-DEOSSOPVSA-N 1 0 598.597 6.154 1 0 KKAFRO CC/C(=C(/CCCCCC[N@H+](C)CCCSCCCC(F)(F)C(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028380774 561920099 /nfs/dbraw/zinc/92/00/99/561920099.db2.gz JBFBGJWUIICAFO-ZQHSETAFSA-N 1 0 587.739 9.402 1 0 KKAFRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028384838 561920812 /nfs/dbraw/zinc/92/08/12/561920812.db2.gz SHVUWJZKWVQIAD-UHFFFAOYSA-N 1 0 553.217 5.931 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028385403 561920895 /nfs/dbraw/zinc/92/08/95/561920895.db2.gz GHCCUWPPSKPLJX-UHFFFAOYSA-N 1 0 521.669 6.999 1 0 KKAFRO O=C(CCCN1CCC([NH+]2CCCCC2)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389148 561921770 /nfs/dbraw/zinc/92/17/70/561921770.db2.gz WEHDDBQMVJPZHJ-UHFFFAOYSA-N 1 0 622.153 6.965 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(N)c1 ZINC000028390292 561922096 /nfs/dbraw/zinc/92/20/96/561922096.db2.gz NSSMRFRBSUYMLZ-QHCPKHFHSA-N 1 0 526.508 5.805 1 0 KKAFRO Cc1c(-c2csc(Cc3ccccc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028390157 561922107 /nfs/dbraw/zinc/92/21/07/561922107.db2.gz RRJCEMDPAYFGDJ-VWLOTQADSA-N 1 0 544.627 5.059 1 0 KKAFRO Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1 ZINC000028390526 561922127 /nfs/dbraw/zinc/92/21/27/561922127.db2.gz XDHNTYBGOMKUQT-VWLOTQADSA-N 1 0 559.642 5.520 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000028396072 561923043 /nfs/dbraw/zinc/92/30/43/561923043.db2.gz RXXVGNIRWRKRRT-WJOKGBTCSA-N 1 0 653.768 6.557 1 0 KKAFRO CCNC(=O)c1ccc(C(c2ccc(C(=O)N(C)C)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccn2)cc1 ZINC000028396934 561923147 /nfs/dbraw/zinc/92/31/47/561923147.db2.gz XKPQDZHNXRQWHU-ISILISOKSA-N 1 0 508.666 5.162 1 0 KKAFRO O=C(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1)Cc1cccnc1 ZINC000028396773 561923197 /nfs/dbraw/zinc/92/31/97/561923197.db2.gz QSMWOVJWANSQGT-CPNJWEJPSA-N 1 0 567.689 7.009 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000028458135 561924435 /nfs/dbraw/zinc/92/44/35/561924435.db2.gz DLAOGKDWAZOHKZ-YTTGMZPUSA-N 1 0 574.766 6.063 1 0 KKAFRO COc1ccc(CCn2c(C(=O)C[NH2+]CCc3ccccc3)c(-c3ccc(OC)c(OC)c3)c3c2c(=O)oc2cc(OC)c(OC)cc32)cc1OC ZINC000028459187 561924689 /nfs/dbraw/zinc/92/46/89/561924689.db2.gz XOCYBFYJQUUEQM-UHFFFAOYSA-N 1 0 706.792 6.724 1 0 KKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br)CC1CC1 ZINC000028459384 561924850 /nfs/dbraw/zinc/92/48/50/561924850.db2.gz DFOGVCLAMQYSGV-UHFFFAOYSA-N 1 0 547.463 7.805 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460791 561925142 /nfs/dbraw/zinc/92/51/42/561925142.db2.gz HQLXQTOXHLBXLG-PKSOEHBHSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461373 561925288 /nfs/dbraw/zinc/92/52/88/561925288.db2.gz JPRKCJZGKZFHOW-KNBNVWEWSA-N 1 0 609.167 6.235 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3cccc4ccccc43)c2=O)cc1 ZINC000028462823 561925660 /nfs/dbraw/zinc/92/56/60/561925660.db2.gz LGRGORPCTINHJX-YPCYDDIISA-N 1 0 653.248 7.030 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(C)cc3)c2=O)cc1 ZINC000028463740 561925997 /nfs/dbraw/zinc/92/59/97/561925997.db2.gz QQXJXZYVLKDWOI-GRRRMQDASA-N 1 0 617.215 6.185 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028464601 561926030 /nfs/dbraw/zinc/92/60/30/561926030.db2.gz HZMVJLWFSIUIPU-ONOMSOESSA-N 1 0 622.166 5.101 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000028464396 561926074 /nfs/dbraw/zinc/92/60/74/561926074.db2.gz MRFZKAWUCKFKJV-FRXPANAUSA-N 1 0 607.239 5.343 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NC(C)=O)cc2)CC1 ZINC000028528281 561932937 /nfs/dbraw/zinc/93/29/37/561932937.db2.gz VNXYBRUSQZZOGE-YTTGMZPUSA-N 1 0 575.775 5.126 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cnnc2ccccc21 ZINC000028471837 561927097 /nfs/dbraw/zinc/92/70/97/561927097.db2.gz QNOFODRHUMZNBU-HXUWFJFHSA-N 1 0 512.485 5.043 1 0 KKAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028476921 561928372 /nfs/dbraw/zinc/92/83/72/561928372.db2.gz HFRUIEKJXDTIDW-JGCGQSQUSA-N 1 0 638.859 6.481 1 0 KKAFRO C[C@H](Nc1nccc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccc(F)cc1 ZINC000028524220 561930758 /nfs/dbraw/zinc/93/07/58/561930758.db2.gz PWAHBXWDGRAANY-KRWDZBQOSA-N 1 0 522.550 6.399 1 0 KKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000028524739 561930994 /nfs/dbraw/zinc/93/09/94/561930994.db2.gz NIWNFKULYGXYCB-SZPZYZBQSA-N 1 0 551.691 5.761 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000028525397 561931251 /nfs/dbraw/zinc/93/12/51/561931251.db2.gz MBGAQQRKPBSLSM-XIFFEERXSA-N 1 0 608.789 6.549 1 0 KKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br ZINC000028469268 561926757 /nfs/dbraw/zinc/92/67/57/561926757.db2.gz QWHIYMVSPFPNMI-UHFFFAOYSA-N 1 0 597.523 8.638 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000028528487 561933189 /nfs/dbraw/zinc/93/31/89/561933189.db2.gz MALUGQRWPSHGBG-PMERELPUSA-N 1 0 553.168 5.821 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000028529020 561933619 /nfs/dbraw/zinc/93/36/19/561933619.db2.gz FYRSQAWWJXJDBF-QNGWXLTQSA-N 1 0 651.873 6.349 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000028528978 561933641 /nfs/dbraw/zinc/93/36/41/561933641.db2.gz JYPBEZFBAOWHCD-UHFFFAOYSA-N 1 0 587.613 6.475 1 0 KKAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565136 561935931 /nfs/dbraw/zinc/93/59/31/561935931.db2.gz GEQAHGXLBPYTMU-UHFFFAOYSA-N 1 0 613.616 5.310 1 0 KKAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCN3c4ccccc4SCCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568303 561937247 /nfs/dbraw/zinc/93/72/47/561937247.db2.gz MGBCZDZRQGYLRL-UHFFFAOYSA-N 1 0 521.653 5.224 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1ncc(SCc2cccc(F)c2)s1 ZINC000028568638 561937392 /nfs/dbraw/zinc/93/73/92/561937392.db2.gz SXHXFOOINNUEPW-UHFFFAOYSA-N 1 0 569.728 5.743 1 0 KKAFRO O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1N1CCCCC1 ZINC000028570005 561938447 /nfs/dbraw/zinc/93/84/47/561938447.db2.gz KCDRUJOXDKLRND-WUFINQPMSA-N 1 0 520.117 6.732 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571537 561939373 /nfs/dbraw/zinc/93/93/73/561939373.db2.gz KUNOALCWXLLCES-NRFANRHFSA-N 1 0 590.654 5.640 1 0 KKAFRO C[NH2+]C1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@@H](N2CCN(C)CC2)C3=O)CC1 ZINC000028572524 561940183 /nfs/dbraw/zinc/94/01/83/561940183.db2.gz PBHGXPVLHMQKRM-YFIJLVJFSA-N 1 0 535.132 5.395 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccncc3)cc2)cc1 ZINC000028604453 561940668 /nfs/dbraw/zinc/94/06/68/561940668.db2.gz DTFLFPKZLHXGED-UHFFFAOYSA-N 1 0 513.770 8.026 1 0 KKAFRO COc1ccccc1Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028636255 561941198 /nfs/dbraw/zinc/94/11/98/561941198.db2.gz CBHYWTUAPSEVRF-GDLZYMKVSA-N 1 0 575.717 5.220 1 0 KKAFRO COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000028636477 561941210 /nfs/dbraw/zinc/94/12/10/561941210.db2.gz RJFDSGYXWDYUDR-GDLZYMKVSA-N 1 0 561.690 5.026 1 0 KKAFRO Cc1cccc(NC(=O)N(C)Cc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1 ZINC000028642617 561943649 /nfs/dbraw/zinc/94/36/49/561943649.db2.gz NEJMZWVLFRWQSG-UHFFFAOYSA-N 1 0 526.710 5.429 1 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C(N)=O)c3)C[C@@H]2C1)C(C)C ZINC000028649963 561945662 /nfs/dbraw/zinc/94/56/62/561945662.db2.gz WGLTWXQPTTWZAW-IQANXLHVSA-N 1 0 529.100 6.041 1 0 KKAFRO O=C(Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000028702805 561947323 /nfs/dbraw/zinc/94/73/23/561947323.db2.gz VBEHDKBVXALMGR-NDEPHWFRSA-N 1 0 674.711 8.103 1 0 KKAFRO CNC(=O)Nc1nc([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702848 561947427 /nfs/dbraw/zinc/94/74/27/561947427.db2.gz YCGUWWLHDLAZTK-QHCPKHFHSA-N 1 0 651.677 6.783 1 0 KKAFRO CC(C)(C)OC(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702877 561947456 /nfs/dbraw/zinc/94/74/56/561947456.db2.gz PQJGXJKQGVLLQQ-RUZDIDTESA-N 1 0 670.720 8.197 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704010 561948113 /nfs/dbraw/zinc/94/81/13/561948113.db2.gz FWCVWNSKPMLGCW-KAXVLVORSA-N 1 0 578.641 7.842 1 0 KKAFRO CC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703998 561948145 /nfs/dbraw/zinc/94/81/45/561948145.db2.gz FEHOZFOZMBPRSW-JHYPHSFXSA-N 1 0 564.614 7.596 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cccnc5)cc4)CC3)C2=O)c1 ZINC000028704490 561948534 /nfs/dbraw/zinc/94/85/34/561948534.db2.gz OAQMOBFXPMYRII-UHFFFAOYSA-N 1 0 550.634 5.900 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-n5ccnc5)cc4)CC3)C2=O)c1 ZINC000028704459 561948598 /nfs/dbraw/zinc/94/85/98/561948598.db2.gz WIFGAYBFSSWCPA-UHFFFAOYSA-N 1 0 539.611 5.024 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5cccc(O)c5)cc4)CC3)C2=O)c1 ZINC000028704534 561948641 /nfs/dbraw/zinc/94/86/41/561948641.db2.gz CKNAYIGNFCNTLX-UHFFFAOYSA-N 1 0 565.645 6.211 1 0 KKAFRO CC(=O)Nc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccc(NC(C)=O)cc4)c3)ccn2)cc1 ZINC000028707570 561950139 /nfs/dbraw/zinc/95/01/39/561950139.db2.gz SKLPWWJIGOTWAF-MEKGRNQZSA-N 1 0 560.702 5.576 1 0 KKAFRO Cc1ccn2cc(-c3ccc(OCCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1 ZINC000028711428 561951921 /nfs/dbraw/zinc/95/19/21/561951921.db2.gz JCVCZONIULCFAT-UHFFFAOYSA-N 1 0 509.481 6.598 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1cc2ccc(F)cc2s1 ZINC000028711697 561952326 /nfs/dbraw/zinc/95/23/26/561952326.db2.gz HSUKCVLLCGNDMB-SSEXGKCCSA-N 1 0 648.845 5.065 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+]([C@H](C)CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712507 561953021 /nfs/dbraw/zinc/95/30/21/561953021.db2.gz BZIIORPIORBBJU-HSZRJFAPSA-N 1 0 551.764 6.019 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)no1 ZINC000028712466 561953068 /nfs/dbraw/zinc/95/30/68/561953068.db2.gz MMHPZQOEUVHNBB-UHFFFAOYSA-N 1 0 527.616 6.047 1 0 KKAFRO C[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028759081 561957454 /nfs/dbraw/zinc/95/74/54/561957454.db2.gz FAMLZMYNJFMLTL-UHFFFAOYSA-N 1 0 607.598 8.501 1 0 KKAFRO O=C(Cc1c(Cl)cccc1Cl)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714022 561954438 /nfs/dbraw/zinc/95/44/38/561954438.db2.gz WPNNHHPIWBXSBY-UHFFFAOYSA-N 1 0 548.946 5.364 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000028761321 561958082 /nfs/dbraw/zinc/95/80/82/561958082.db2.gz ZUFDUHYRGVUXON-CVYREJKOSA-N 1 0 621.822 7.310 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@@](CCC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764895 561959298 /nfs/dbraw/zinc/95/92/98/561959298.db2.gz MUZRICFSRACWJI-UUWRZZSWSA-N 1 0 561.597 7.928 1 0 KKAFRO CCOc1cc(C(=O)OCCCC[N@H+](CC)[C@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768661 561960476 /nfs/dbraw/zinc/96/04/76/561960476.db2.gz RIMQMPNCHLPOTA-VWLOTQADSA-N 1 0 513.675 5.708 1 0 KKAFRO c1ccc(C(C[NH+]2CCN(CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816193 561964141 /nfs/dbraw/zinc/96/41/41/561964141.db2.gz ZTEXVRHCXLULPT-YATWDLPUSA-N 1 0 624.825 8.433 1 0 KKAFRO C[C@H]1C[C@@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816522 561964211 /nfs/dbraw/zinc/96/42/11/561964211.db2.gz HCHVNBOTRLPDIE-NNNZQYNTSA-N 1 0 592.177 6.239 1 0 KKAFRO C[C@@H]1C[C@@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816519 561964235 /nfs/dbraw/zinc/96/42/35/561964235.db2.gz HCHVNBOTRLPDIE-YXPSQANSSA-N 1 0 592.177 6.239 1 0 KKAFRO CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21 ZINC000028816574 561964403 /nfs/dbraw/zinc/96/44/03/561964403.db2.gz IQPNFTDHFVCNTC-OFTHAETASA-N 1 0 528.765 7.945 1 0 KKAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000028818498 561965223 /nfs/dbraw/zinc/96/52/23/561965223.db2.gz KXTCHTKEXKEZJN-ZEQRLZLVSA-N 1 0 554.160 5.732 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2cnc4n[nH]nc4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823041 561967735 /nfs/dbraw/zinc/96/77/35/561967735.db2.gz YUIAPOXITJAXSN-OAQYLSRUSA-N 1 0 633.694 6.186 1 0 KKAFRO COc1ccc(-c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823431 561968071 /nfs/dbraw/zinc/96/80/71/561968071.db2.gz GLEYHHWFJPVBEO-UHFFFAOYSA-N 1 0 532.773 7.122 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823423 561968087 /nfs/dbraw/zinc/96/80/87/561968087.db2.gz HCNXTVJEULZIBE-UHFFFAOYSA-N 1 0 518.750 6.585 1 0 KKAFRO CC(=O)c1ccc(-c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823430 561968093 /nfs/dbraw/zinc/96/80/93/561968093.db2.gz DGVYRJCQEXONHZ-UHFFFAOYSA-N 1 0 544.784 7.316 1 0 KKAFRO CC(=O)c1ccc(CNc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823427 561968111 /nfs/dbraw/zinc/96/81/11/561968111.db2.gz ISAQVBBROFXTSA-UHFFFAOYSA-N 1 0 573.826 7.261 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823890 561968579 /nfs/dbraw/zinc/96/85/79/561968579.db2.gz NUALMFMLNXDIHK-AZGAKELHSA-N 1 0 549.518 5.061 1 0 KKAFRO C[C@@H](N[C@H](c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824391 561969523 /nfs/dbraw/zinc/96/95/23/561969523.db2.gz PAWUWEMCXDNURH-ZSRPKCNMSA-N 1 0 623.648 5.781 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000028824398 561969553 /nfs/dbraw/zinc/96/95/53/561969553.db2.gz ORQXDIOLDRAYDZ-DEOSSOPVSA-N 1 0 565.640 5.195 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824413 561969629 /nfs/dbraw/zinc/96/96/29/561969629.db2.gz VREOYTDRIFYGEZ-QHCPKHFHSA-N 1 0 636.140 5.262 1 0 KKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000028825219 561970563 /nfs/dbraw/zinc/97/05/63/561970563.db2.gz WCTPDNWSGMTDLQ-GDYKHXCGSA-N 1 0 652.905 6.609 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825210 561970574 /nfs/dbraw/zinc/97/05/74/561970574.db2.gz QOPWWVFDWSBQHN-LSYYVWMOSA-N 1 0 588.818 5.442 1 0 KKAFRO COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC([NH3+])CC2)CC1 ZINC000028826060 561971097 /nfs/dbraw/zinc/97/10/97/561971097.db2.gz IZYHZKBKUWLBPO-FNORWQNLSA-N 1 0 557.779 7.213 1 0 KKAFRO COc1ccc2c(c1)c(CC(=O)N(CCCC[NH3+])C13CC4CC(CC(C4)C1)C3)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028825878 561971101 /nfs/dbraw/zinc/97/11/01/561971101.db2.gz ARYXHCOOGIRDOL-UHFFFAOYSA-N 1 0 562.154 6.379 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000028826097 561971164 /nfs/dbraw/zinc/97/11/64/561971164.db2.gz FKFNETKTGLNWAG-FIJOOXBISA-N 1 0 525.781 7.343 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827053 561971491 /nfs/dbraw/zinc/97/14/91/561971491.db2.gz BDKKUJXOTBQXCJ-JTWLRGFHSA-N 1 0 578.606 5.669 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)cc1 ZINC000028827033 561971505 /nfs/dbraw/zinc/97/15/05/561971505.db2.gz NZXXSPTYMKQRAI-ACHIHNKUSA-N 1 0 679.711 5.627 1 0 KKAFRO COC(=O)/C=C/c1cc(-c2c(C)cc(OC)c3c(OC)cccc23)c(OCc2ccccc2)c2c1C[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]2C ZINC000028862011 561971826 /nfs/dbraw/zinc/97/18/26/561971826.db2.gz LIYMLMSCUMVJLZ-OTUDYDONSA-N 1 0 641.808 9.105 1 0 KKAFRO CC(C)CCn1cc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000028863408 561972211 /nfs/dbraw/zinc/97/22/11/561972211.db2.gz ITIAQSDIYVYEAB-UHFFFAOYSA-N 1 0 663.223 5.303 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869416 561973734 /nfs/dbraw/zinc/97/37/34/561973734.db2.gz CTDHLROQTKJDLK-HHHXNRCGSA-N 1 0 544.548 6.138 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@@H](NC(=O)c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869441 561973743 /nfs/dbraw/zinc/97/37/43/561973743.db2.gz QRCYVFNZAQIPPM-SANMLTNESA-N 1 0 514.522 5.642 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@@H](NS(=O)(=O)c2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869462 561973761 /nfs/dbraw/zinc/97/37/61/561973761.db2.gz GCGJCPGMBVJZFF-PMERELPUSA-N 1 0 600.637 6.343 1 0 KKAFRO O=C(NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000028869759 561973857 /nfs/dbraw/zinc/97/38/57/561973857.db2.gz MLUHKGHTLUYKBS-WJOKGBTCSA-N 1 0 512.097 6.410 1 0 KKAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000028870625 561974075 /nfs/dbraw/zinc/97/40/75/561974075.db2.gz LTZQHKKUJQVOBT-IOWSJCHKSA-N 1 0 592.744 5.152 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000028879519 561976485 /nfs/dbraw/zinc/97/64/85/561976485.db2.gz HSJXMFJMCVMAKI-WUFINQPMSA-N 1 0 640.168 6.628 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CCSC)c3=O)CC2)C(C)C)c1 ZINC000028874789 561975278 /nfs/dbraw/zinc/97/52/78/561975278.db2.gz RYRWIHMMTQHAQP-MHZLTWQESA-N 1 0 511.732 5.614 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879268 561976141 /nfs/dbraw/zinc/97/61/41/561976141.db2.gz ULTXWBYNFDFCHD-VMPREFPWSA-N 1 0 604.188 6.383 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028879180 561976143 /nfs/dbraw/zinc/97/61/43/561976143.db2.gz CKYOUSJBAOMLEO-UYDITSSVSA-N 1 0 582.113 5.455 1 0 KKAFRO O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1cc([nH+]c(N3CCCC3)c1)CCCn1cc2c2ccccc21 ZINC000028881958 561977104 /nfs/dbraw/zinc/97/71/04/561977104.db2.gz LXUXFJHDJVXMGK-UHFFFAOYSA-N 1 0 555.682 5.737 1 0 KKAFRO CCCC[C@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887418 561977808 /nfs/dbraw/zinc/97/78/08/561977808.db2.gz RYTKECVWRNYENK-SSEXGKCCSA-N 1 0 609.642 8.565 1 0 KKAFRO CC[NH+](CC)CCC[C@H](CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887374 561977809 /nfs/dbraw/zinc/97/78/09/561977809.db2.gz DNDKXHJKVVOVQX-SSEXGKCCSA-N 1 0 609.642 8.421 1 0 KKAFRO CCC[C@@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887346 561977814 /nfs/dbraw/zinc/97/78/14/561977814.db2.gz SZYIAWSXNYQHLF-LJAQVGFWSA-N 1 0 595.615 8.175 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889643 561978013 /nfs/dbraw/zinc/97/80/13/561978013.db2.gz FXNLHVHHXHWVOF-FNZWTVRRSA-N 1 0 535.063 5.575 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892317 561978317 /nfs/dbraw/zinc/97/83/17/561978317.db2.gz TYMRGXPQAWWLJN-SSEXGKCCSA-N 1 0 615.818 7.607 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cc(OCCC[NH+]3CCCCC3)ccc2[nH]c1-c1ccccc1 ZINC000028892260 561978327 /nfs/dbraw/zinc/97/83/27/561978327.db2.gz LZNOESOAXCKWKO-RUZDIDTESA-N 1 0 539.720 6.475 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2cnccc2Cl)n1C ZINC000028897798 561979405 /nfs/dbraw/zinc/97/94/05/561979405.db2.gz SMRYRNGFJDIXJL-UHFFFAOYSA-N 1 0 614.524 5.814 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)c3ccccc23)cc1 ZINC000028899785 561979622 /nfs/dbraw/zinc/97/96/22/561979622.db2.gz KHOJCKYLSONCCN-UHFFFAOYSA-N 1 0 587.768 7.817 1 0 KKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cn(C(=O)N(C)C)c5ccc(Cl)cc45)C3)nc2c1 ZINC000028951119 561981464 /nfs/dbraw/zinc/98/14/64/561981464.db2.gz LTQVGGUTDFGRBW-VXKWHMMOSA-N 1 0 520.077 6.203 1 0 KKAFRO O=C(N[C@H](COCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957800 561983438 /nfs/dbraw/zinc/98/34/38/561983438.db2.gz DPZMOLHCLHNTCX-HHHXNRCGSA-N 1 0 523.464 6.274 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C3CC[NH+](CC(C)C)CC3)n2)s1 ZINC000028961188 561984139 /nfs/dbraw/zinc/98/41/39/561984139.db2.gz YDGNVGIUDZRDSY-UHFFFAOYSA-N 1 0 569.653 7.358 1 0 KKAFRO C[NH2+]CC1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000028962372 561984584 /nfs/dbraw/zinc/98/45/84/561984584.db2.gz SYCWDKXMBHMKEH-BHVANESWSA-N 1 0 541.695 7.125 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)C3CCC([NH2+]Cc4ccc5ccccc5c4)CC3)cc2s1)C1CCCC1 ZINC000028967865 561985331 /nfs/dbraw/zinc/98/53/31/561985331.db2.gz WUGWHWVPMFZLHI-UHFFFAOYSA-N 1 0 526.706 6.865 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967838 561985339 /nfs/dbraw/zinc/98/53/39/561985339.db2.gz VZSYTNVKRSAXSQ-CLJLJLNGSA-N 1 0 540.733 7.255 1 0 KKAFRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000028979815 561988384 /nfs/dbraw/zinc/98/83/84/561988384.db2.gz AIURXVGBLMZIOF-UHFFFAOYSA-N 1 0 536.561 5.595 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1 ZINC000029037181 561988407 /nfs/dbraw/zinc/98/84/07/561988407.db2.gz XVJPZVILDPXQTC-UHFFFAOYSA-N 1 0 546.700 6.326 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000029038439 561989015 /nfs/dbraw/zinc/98/90/15/561989015.db2.gz SVJJDCWBAXTWLW-ONNFQVAWSA-N 1 0 526.508 6.748 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039329 561989742 /nfs/dbraw/zinc/98/97/42/561989742.db2.gz YTRYSMIXUHQRLS-PKTNWEFCSA-N 1 0 623.160 5.593 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039327 561989744 /nfs/dbraw/zinc/98/97/44/561989744.db2.gz YTRYSMIXUHQRLS-FCEKVYKBSA-N 1 0 623.160 5.593 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039346 561989763 /nfs/dbraw/zinc/98/97/63/561989763.db2.gz LCZSFRYSYIROLS-UWPQIUOOSA-N 1 0 637.143 5.119 1 0 KKAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(-c2ccccc2C(C)=O)c1 ZINC000029039590 561990057 /nfs/dbraw/zinc/99/00/57/561990057.db2.gz YJKAWDNPEIHQRW-JHOUSYSJSA-N 1 0 604.669 6.466 1 0 KKAFRO CC(C)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040067 561990439 /nfs/dbraw/zinc/99/04/39/561990439.db2.gz QBWMDSOBTUPOTG-DEOSSOPVSA-N 1 0 538.576 7.063 1 0 KKAFRO CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])C(C)C)CC1 ZINC000029041181 561991081 /nfs/dbraw/zinc/99/10/81/561991081.db2.gz UMCBQPKLWYZBPK-MHZHKKNFSA-N 1 0 525.137 5.138 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3ccc(Cl)nn3)CC2)C1 ZINC000029041165 561991096 /nfs/dbraw/zinc/99/10/96/561991096.db2.gz NDIMKQWDXWYCJV-BWKNWUBXSA-N 1 0 577.013 6.858 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042922 561991829 /nfs/dbraw/zinc/99/18/29/561991829.db2.gz FCROUWTVYBCUMB-AHPZMPFVSA-N 1 0 578.119 6.565 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043445 561992030 /nfs/dbraw/zinc/99/20/30/561992030.db2.gz WIYYBZMEWSJCLO-GKRYNVPLSA-N 1 0 576.584 6.940 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)[NH2+]C3CCCC3)c2=O)c1Cl ZINC000029045655 561992604 /nfs/dbraw/zinc/99/26/04/561992604.db2.gz BUONDJSCFQDMKL-INIZCTEOSA-N 1 0 568.011 5.774 1 0 KKAFRO O=C(Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029046276 561992842 /nfs/dbraw/zinc/99/28/42/561992842.db2.gz WECNWUSUXVLYLK-DHUJRADRSA-N 1 0 624.692 5.823 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)cc1)CC2 ZINC000029063238 561996155 /nfs/dbraw/zinc/99/61/55/561996155.db2.gz YKXTXQJFMGBJLD-UHFFFAOYSA-N 1 0 549.671 6.118 1 0 in-vivo KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cccs4)c3=O)CC2)C(C)C)c1 ZINC000029064377 561996307 /nfs/dbraw/zinc/99/63/07/561996307.db2.gz ACRZXWBNBSPSQH-LJAQVGFWSA-N 1 0 533.738 6.360 1 0 KKAFRO Nc1ncnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4ccccn4)cc3-c3ccccc3)cc2)CC1 ZINC000029125572 561997801 /nfs/dbraw/zinc/99/78/01/561997801.db2.gz GJTDWTDYXNLZFY-UHFFFAOYSA-N 1 0 538.659 6.037 1 0 KKAFRO CCNC(=O)Nc1nc2ccc(C(=O)Nc3cc(NC(=O)c4cc(N5CC[NH+](C)CC5)cc(C(F)(F)F)c4)ccc3C)cc2s1 ZINC000029126754 561998908 /nfs/dbraw/zinc/99/89/08/561998908.db2.gz YWUVWFGRGVDWGG-UHFFFAOYSA-N 1 0 639.704 6.021 1 0 KKAFRO Nc1[nH]c(=O)nc2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126829 561999106 /nfs/dbraw/zinc/99/91/06/561999106.db2.gz QGFDTTHSJZPGML-UHFFFAOYSA-N 1 0 543.631 5.127 1 0 KKAFRO COCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126993 561999212 /nfs/dbraw/zinc/99/92/12/561999212.db2.gz TZVRVTZSSPWUGF-UHFFFAOYSA-N 1 0 528.682 5.209 1 0 KKAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ccon2)cc(-c2ccon2)c1 ZINC000029129114 562001618 /nfs/dbraw/zinc/00/16/18/562001618.db2.gz KZYSQAFJXXLUSQ-MRFDPFKHSA-N 1 0 533.604 5.309 1 0 KKAFRO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4cccc5cnc(C)cc54)n2C)CC3)n(C)n1 ZINC000029127028 561999438 /nfs/dbraw/zinc/99/94/38/561999438.db2.gz RLZDEABBOHACIP-UHFFFAOYSA-N 1 0 537.737 5.631 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127292 561999678 /nfs/dbraw/zinc/99/96/78/561999678.db2.gz VYGLNPIKDOAMBL-JOCHJYFZSA-N 1 0 554.764 5.674 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(C)(C)C)oc5c(C)c4CC3)n2C)n1 ZINC000029127420 561999790 /nfs/dbraw/zinc/99/97/90/561999790.db2.gz MJLHCRFMFPSGBF-UHFFFAOYSA-N 1 0 554.764 6.669 1 0 KKAFRO CCc1nc2c(ccc3c2CC[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029127325 561999808 /nfs/dbraw/zinc/99/98/08/561999808.db2.gz ZJBDUXLBLPXVOM-UHFFFAOYSA-N 1 0 512.683 5.625 1 0 KKAFRO COc1nc(NCCCC[NH+](C)C)ncc1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1C ZINC000029127860 562000324 /nfs/dbraw/zinc/00/03/24/562000324.db2.gz URQPVDYOROHODX-UHFFFAOYSA-N 1 0 558.605 5.379 1 0 KKAFRO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@@H]2CCC[NH2+]2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029130018 562002281 /nfs/dbraw/zinc/00/22/81/562002281.db2.gz ONFQHFUVRJPWCM-RDGATRHJSA-N 1 0 594.653 6.980 1 0 KKAFRO c1ccc(COc2ccc(-c3nn(-c4ccc(OCc5ccccc5)cc4)[n+](-c4ccccc4)n3)cc2)cc1 ZINC000029131186 562002784 /nfs/dbraw/zinc/00/27/84/562002784.db2.gz ATFBEDQYFPFRKX-UHFFFAOYSA-N 1 0 511.605 6.369 1 0 KKAFRO COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)cc3)o2)n1 ZINC000029136111 562004670 /nfs/dbraw/zinc/00/46/70/562004670.db2.gz BSRGUZRADGKWPW-UHFFFAOYSA-N 1 0 509.606 5.992 1 0 KKAFRO COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000029226118 562008228 /nfs/dbraw/zinc/00/82/28/562008228.db2.gz YAFCWMRGCHJDGO-BCRBLDSWSA-N 1 0 709.884 5.407 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3cccnc3c2)cc1 ZINC000029208138 562005379 /nfs/dbraw/zinc/00/53/79/562005379.db2.gz OTVOEZNYPLBKLK-PPTMTGTBSA-N 1 0 512.650 5.891 1 0 KKAFRO c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)C[NH2+]C[C@H]3OCCN3CCOCC3)cc2)cc1 ZINC000029208103 562005399 /nfs/dbraw/zinc/00/53/99/562005399.db2.gz QPDCVHOOSRJVPI-XWTVRQILSA-N 1 0 610.795 5.815 1 0 KKAFRO c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)C[NH2+]C[C@H]3COCCN3CCOCC3)cc2)cc1 ZINC000029207806 562005440 /nfs/dbraw/zinc/00/54/40/562005440.db2.gz BGAWAKUWOBKLJF-MINDXDAISA-N 1 0 624.822 6.063 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000029213463 562006188 /nfs/dbraw/zinc/00/61/88/562006188.db2.gz OXPFQDPMHQMMAD-BHVANESWSA-N 1 0 658.803 5.833 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029217110 562006635 /nfs/dbraw/zinc/00/66/35/562006635.db2.gz DNEJEXULMUZLAR-RRHRGVEJSA-N 1 0 729.882 5.014 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000029217103 562006661 /nfs/dbraw/zinc/00/66/61/562006661.db2.gz DNEJEXULMUZLAR-FAIXQHPJSA-N 1 0 729.882 5.014 1 0 KKAFRO CCCCCc1cc(O)cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029219061 562006906 /nfs/dbraw/zinc/00/69/06/562006906.db2.gz NNKPTRBXTNSWCK-ZQWAWDFXSA-N 1 0 529.677 6.795 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029222934 562007464 /nfs/dbraw/zinc/00/74/64/562007464.db2.gz ONAKFVRVSCBFPV-NDEPHWFRSA-N 1 0 623.657 5.408 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000029223709 562007572 /nfs/dbraw/zinc/00/75/72/562007572.db2.gz ZYHPMMUOAAZPHR-NDEPHWFRSA-N 1 0 655.655 5.276 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[NH+]3CCC4(CC3)OCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335300 562014177 /nfs/dbraw/zinc/01/41/77/562014177.db2.gz WBWQXNCVGFBFHI-DHUJRADRSA-N 1 0 621.649 7.795 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCCC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335825 562014308 /nfs/dbraw/zinc/01/43/08/562014308.db2.gz LHMWCFQUSQQLNY-PVUKSDKOSA-N 1 0 653.716 7.527 1 0 KKAFRO COc1ccccc1[C@@H]1C(C(=O)NCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029337943 562014600 /nfs/dbraw/zinc/01/46/00/562014600.db2.gz UEDGMQJSXUGZAH-HSZRJFAPSA-N 1 0 517.482 5.412 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029342531 562015635 /nfs/dbraw/zinc/01/56/35/562015635.db2.gz DUZDBSMMXWAKOU-CYTLCNBWSA-N 1 0 657.664 5.414 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(CC1)NCCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334576 562014203 /nfs/dbraw/zinc/01/42/03/562014203.db2.gz JVIZOQMXVALTOM-SANMLTNESA-N 1 0 536.547 6.376 1 0 KKAFRO O=C(CCCCCCCCCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029408332 562021214 /nfs/dbraw/zinc/02/12/14/562021214.db2.gz ZTBDUEBTWDKVEU-UHFFFAOYSA-N 1 0 717.830 9.632 1 0 KKAFRO CCCCCC[N@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029411464 562021838 /nfs/dbraw/zinc/02/18/38/562021838.db2.gz WRUVHBAJFNMPQH-HIYJGCFHSA-N 1 0 525.642 5.059 1 0 KKAFRO CCOC(=O)C1=C(COCC[NH+]2CCN(c3ccc(F)cc3)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029462967 562023398 /nfs/dbraw/zinc/02/33/98/562023398.db2.gz QIUWNYZCCWKEAE-MCKMWFOCSA-N 1 0 572.077 5.109 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000029464368 562023723 /nfs/dbraw/zinc/02/37/23/562023723.db2.gz AXXZDEQUAAZLGS-UHFFFAOYSA-N 1 0 545.727 7.242 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)ccc1I ZINC000029465659 562024269 /nfs/dbraw/zinc/02/42/69/562024269.db2.gz OXRVFFHFHVMZJV-SFHVURJKSA-N 1 0 643.913 5.715 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@H]3CCC(=O)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029466088 562024364 /nfs/dbraw/zinc/02/43/64/562024364.db2.gz HFXUYZQVCSUBMO-LSTSWFKTSA-N 1 0 610.639 7.200 1 0 KKAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000029466612 562024482 /nfs/dbraw/zinc/02/44/82/562024482.db2.gz XKTURQTUCWIGCW-UHFFFAOYSA-N 1 0 681.322 5.668 1 0 KKAFRO O=C(Nc1ccncn1)c1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc3c(c1)CCC3)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000029467429 562024738 /nfs/dbraw/zinc/02/47/38/562024738.db2.gz LDPBFWKHHOZVLX-NRFANRHFSA-N 1 0 544.055 5.703 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029468169 562024931 /nfs/dbraw/zinc/02/49/31/562024931.db2.gz AKFBXAZPEQACOT-UHFFFAOYSA-N 1 0 510.726 6.368 1 0 KKAFRO CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029468405 562024945 /nfs/dbraw/zinc/02/49/45/562024945.db2.gz BCIRPBHKMMHSSH-UHFFFAOYSA-N 1 0 603.829 6.819 1 0 KKAFRO CCCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029472351 562025777 /nfs/dbraw/zinc/02/57/77/562025777.db2.gz ZUIIAGITXMYQNS-UHFFFAOYSA-N 1 0 531.122 7.205 1 0 KKAFRO CC(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5c(F)cccc45)CC3)CC2)cc1 ZINC000029476314 562026475 /nfs/dbraw/zinc/02/64/75/562026475.db2.gz HSCJVFKBAKREKK-UHFFFAOYSA-N 1 0 533.663 5.816 1 0 KKAFRO CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029479032 562026854 /nfs/dbraw/zinc/02/68/54/562026854.db2.gz ZCYLFOCGPIYOHZ-UHFFFAOYSA-N 1 0 531.122 7.204 1 0 KKAFRO Clc1cc(Cl)c2nc3c(c(SCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c2c1)CCCC3 ZINC000029479658 562027027 /nfs/dbraw/zinc/02/70/27/562027027.db2.gz DOLXMZSLBMXBCS-UHFFFAOYSA-N 1 0 578.653 10.002 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](CCCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029545110 562029578 /nfs/dbraw/zinc/02/95/78/562029578.db2.gz GPOHXSRIYHKDDY-NDEPHWFRSA-N 1 0 600.612 5.815 1 0 KKAFRO CC(=O)OCCC1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029558855 562032633 /nfs/dbraw/zinc/03/26/33/562032633.db2.gz ABDVJDWAZPTZIF-DEOSSOPVSA-N 1 0 505.486 5.905 1 0 KKAFRO c1ccc(Cn2c(NC3CC[NH+](CCC(c4ccccc4)c4ccccc4)CC3)nc3cccnc32)cc1 ZINC000029560315 562032908 /nfs/dbraw/zinc/03/29/08/562032908.db2.gz LMAIDMJPZFYKKY-UHFFFAOYSA-N 1 0 501.678 6.578 1 0 KKAFRO CCCCCCC(=O)OCOC(=O)C1(C(=O)OCOC(=O)CCCCCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029563541 562033820 /nfs/dbraw/zinc/03/38/20/562033820.db2.gz HWBYUCOTKILDCJ-IRPSRAIASA-N 1 0 706.229 6.090 1 0 KKAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871332 562036592 /nfs/dbraw/zinc/03/65/92/562036592.db2.gz HKSABFMJANGSMM-ZFEZZJPFSA-N 1 0 521.657 7.300 1 0 KKAFRO Cc1csc(C[NH2+][C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)n1 ZINC000033359324 562037268 /nfs/dbraw/zinc/03/72/68/562037268.db2.gz LXROHYSWUUGKNY-DEOSSOPVSA-N 1 0 521.608 6.955 1 0 KKAFRO NC(=[NH2+])Nc1ccc([C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000034633587 562039389 /nfs/dbraw/zinc/03/93/89/562039389.db2.gz RMJHMNZGTJDKCS-SANMLTNESA-N 1 0 530.521 6.268 1 0 KKAFRO CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C[NH2+]CCCO)n2Cc1ccc(Cl)cc1 ZINC000034440734 562038958 /nfs/dbraw/zinc/03/89/58/562038958.db2.gz MTUYEDAOTOYINR-UHFFFAOYSA-N 1 0 515.207 7.898 1 0 KKAFRO Cc1ccc(-c2nn(CCCCCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801011 562041079 /nfs/dbraw/zinc/04/10/79/562041079.db2.gz RTQJIIMGQUDPIV-UHFFFAOYSA-N 1 0 562.680 7.163 1 0 KKAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC000034802115 562041747 /nfs/dbraw/zinc/04/17/47/562041747.db2.gz UPPZIKNLEDOKKO-PHAUOLPESA-N 1 0 744.899 5.800 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3cccnc3)nc2)cc1 ZINC000034802920 562042252 /nfs/dbraw/zinc/04/22/52/562042252.db2.gz FBWJKKVVWCJXCZ-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CC(C)(Cc1ncc[nH]1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803773 562042554 /nfs/dbraw/zinc/04/25/54/562042554.db2.gz XKJFSQKYOGSARJ-PZGXJGMVSA-N 1 0 520.637 5.206 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000036140643 562048005 /nfs/dbraw/zinc/04/80/05/562048005.db2.gz LDQMDDWSQPMVAZ-YDSCLTKRSA-N 1 0 533.628 5.607 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175806 562049014 /nfs/dbraw/zinc/04/90/14/562049014.db2.gz WUKMEFAUPMTRFB-OAQYLSRUSA-N 1 0 533.521 6.815 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036176492 562049401 /nfs/dbraw/zinc/04/94/01/562049401.db2.gz CIJBLVOZDMZNJK-IPQUOWEQSA-N 1 0 517.629 5.481 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000036177581 562049421 /nfs/dbraw/zinc/04/94/21/562049421.db2.gz AQLDZPVMATXBPG-UXBLZVDNSA-N 1 0 605.916 7.205 1 0 KKAFRO CC[C@H](c1nn2c(Cl)cc(Cl)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000036184708 562050278 /nfs/dbraw/zinc/05/02/78/562050278.db2.gz ATXWLDAYBVVVMP-JOCHJYFZSA-N 1 0 526.468 5.102 1 0 KKAFRO CCC(CC)C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036188203 562050877 /nfs/dbraw/zinc/05/08/77/562050877.db2.gz OXZIYWHPJYKWLZ-UHFFFAOYSA-N 1 0 550.534 6.922 1 0 KKAFRO CC[C@H](C)[C@H](NC[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285467 562054259 /nfs/dbraw/zinc/05/42/59/562054259.db2.gz RUOYYZYZPAEQIU-BATDWUPUSA-N 1 0 573.531 6.318 1 0 KKAFRO CC[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285632 562054296 /nfs/dbraw/zinc/05/42/96/562054296.db2.gz AUHYYKPUZBCSPT-FONBTEPMSA-N 1 0 586.570 8.017 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322388 562055246 /nfs/dbraw/zinc/05/52/46/562055246.db2.gz VDGIWFABCWUAFZ-ZEQRLZLVSA-N 1 0 551.518 6.632 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000036338412 562056982 /nfs/dbraw/zinc/05/69/82/562056982.db2.gz JUFZAZPBSPFLIO-BVAGGSTKSA-N 1 0 534.595 5.387 1 0 KKAFRO CC(=O)OCCCc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351457 562058362 /nfs/dbraw/zinc/05/83/62/562058362.db2.gz FSWBIKQBUVIPHY-UHFFFAOYSA-N 1 0 513.678 5.793 1 0 KKAFRO CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000036351495 562058513 /nfs/dbraw/zinc/05/85/13/562058513.db2.gz TYCHPBQYNABPSC-IHLOFXLRSA-N 1 0 590.690 6.161 1 0 KKAFRO CC(=O)Nc1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)cc1 ZINC000036351571 562058661 /nfs/dbraw/zinc/05/86/61/562058661.db2.gz BNAPHCOYBVXRAD-WOEHHYBBSA-N 1 0 542.099 5.029 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(NC(=O)OCc5ccccc5)cc4)C[C@H]23)CC1 ZINC000036351598 562058696 /nfs/dbraw/zinc/05/86/96/562058696.db2.gz NMPFBNIJCAMRID-VOKAMYBESA-N 1 0 634.196 6.820 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351651 562058761 /nfs/dbraw/zinc/05/87/61/562058761.db2.gz CUWOXHKJMDGMKB-XIFFEERXSA-N 1 0 630.582 8.872 1 0 KKAFRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)o1 ZINC000036351611 562058841 /nfs/dbraw/zinc/05/88/41/562058841.db2.gz HANLAPNDBNRKKI-FTJBHMTQSA-N 1 0 554.613 5.404 1 0 KKAFRO CC1CCC([N@H+](C)[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351693 562058952 /nfs/dbraw/zinc/05/89/52/562058952.db2.gz ALGLCHGXJVZFRW-BYOMPTMESA-N 1 0 570.700 6.224 1 0 KKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000036351772 562059229 /nfs/dbraw/zinc/05/92/29/562059229.db2.gz CDLVRUWCUTVUDT-UHFFFAOYSA-N 1 0 564.686 7.358 1 0 KKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000036378320 562059673 /nfs/dbraw/zinc/05/96/73/562059673.db2.gz BVLUFAKPRYIHIB-NVQXNPDNSA-N 1 0 527.661 6.740 3 0 KKAFRO CCOc1ccc(Cn2c3ccc(C(=O)N4CCC(C)CC4)cc3c3c2CC[N@H+](C2CCOCC2)C3)cc1 ZINC000036478722 562061001 /nfs/dbraw/zinc/06/10/01/562061001.db2.gz ZZPRUFQKSMSCLW-UHFFFAOYSA-N 1 0 515.698 5.498 1 0 KKAFRO CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000036748746 562061111 /nfs/dbraw/zinc/06/11/11/562061111.db2.gz HFEFFYLNWHUHTO-PGUFJCEWSA-N 1 0 639.789 7.891 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CC[NH+](C)CC4)c(F)c3)n2)c(OC)c1 ZINC000036758587 562061472 /nfs/dbraw/zinc/06/14/72/562061472.db2.gz UPXVJAHQYQWZKZ-UHFFFAOYSA-N 1 0 644.748 6.347 1 0 KKAFRO Cc1nc(Nc2cnc(/C=C/c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cn2)cc(N2CC[NH2+]CC2)n1 ZINC000038146666 562065505 /nfs/dbraw/zinc/06/55/05/562065505.db2.gz JPPOEIQHHADPAN-CMDGGOBGSA-N 1 0 574.611 5.478 3 0 KKAFRO COc1ccc(C2(C(=O)N[C@@H]3C[C@@H]4C[C@](c5cccc(O)c5)(C3)[C@@H](C)C[N@@H+]4CCCc3ccccc3)CCCC2)cc1 ZINC000038147760 562065580 /nfs/dbraw/zinc/06/55/80/562065580.db2.gz YNIWUEGPIJJKBQ-ZTYBNDALSA-N 1 0 566.786 6.772 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2ccc(OC)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040395261 562074510 /nfs/dbraw/zinc/07/45/10/562074510.db2.gz GAOCCMGLJNRQJF-MHZLTWQESA-N 1 0 517.508 5.123 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cccc(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157904 562069860 /nfs/dbraw/zinc/06/98/60/562069860.db2.gz KLCOZLYYGBILED-UHFFFAOYSA-N 1 0 540.510 7.262 1 0 KKAFRO O=C(/C=C/C[NH+]1CCCCC1)Nc1cc2c(cc1OCC(F)F)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000038257904 562070778 /nfs/dbraw/zinc/07/07/78/562070778.db2.gz ICDUDMAKDBBZOT-SNAWJCMRSA-N 1 0 519.955 5.790 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC)CCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1-3 ZINC000040379703 562073259 /nfs/dbraw/zinc/07/32/59/562073259.db2.gz CPHMZVKZODJCBG-UHFFFAOYSA-N 1 0 504.606 6.526 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+][C@H](C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040407542 562075049 /nfs/dbraw/zinc/07/50/49/562075049.db2.gz JWYGHODMDMKPPK-PIKZIKFNSA-N 1 0 514.591 7.751 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040406561 562075070 /nfs/dbraw/zinc/07/50/70/562075070.db2.gz CBSYYIOBMXSLKK-MHZLTWQESA-N 1 0 500.564 7.190 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000040430761 562076835 /nfs/dbraw/zinc/07/68/35/562076835.db2.gz XPNTZDKIYNVUSU-KJWPAHLWSA-N 1 0 528.537 6.649 1 0 KKAFRO Cc1ccc(N(C(=O)N(C)CCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccc(F)c(F)c2)cc1 ZINC000040430365 562076857 /nfs/dbraw/zinc/07/68/57/562076857.db2.gz KVXGDBDRJBDLPL-UHFFFAOYSA-N 1 0 505.609 6.375 1 0 KKAFRO CCCCOc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3 ZINC000040540355 562077754 /nfs/dbraw/zinc/07/77/54/562077754.db2.gz SBGANKOPOAKMKT-FLPLPDKSSA-N 1 0 501.711 6.285 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040875572 562082167 /nfs/dbraw/zinc/08/21/67/562082167.db2.gz LJRBNBCTAYVKFU-AREMUKBSSA-N 1 0 503.481 5.127 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000040632381 562078672 /nfs/dbraw/zinc/07/86/72/562078672.db2.gz MLYZFKSNIDVQFS-UHFFFAOYSA-N 1 0 501.667 5.932 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640907 562078728 /nfs/dbraw/zinc/07/87/28/562078728.db2.gz JKVMLYRCSNRRJI-HSZRJFAPSA-N 1 0 523.620 5.983 1 0 KKAFRO CCOC(=O)Nc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040639719 562078741 /nfs/dbraw/zinc/07/87/41/562078741.db2.gz MSGZXXOBWLWAAV-UHFFFAOYSA-N 1 0 524.608 5.950 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(N(C(=O)Nc2c(Cl)cccc2Cl)c2cc(NC)ncn2)cc1 ZINC000040812739 562079867 /nfs/dbraw/zinc/07/98/67/562079867.db2.gz LEODMHPBFDSPKC-UHFFFAOYSA-N 1 0 503.434 5.916 1 0 KKAFRO CCCCN(CCCC)C(=O)c1cc(C)n(-c2cccc(Cl)c2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC000040845359 562080285 /nfs/dbraw/zinc/08/02/85/562080285.db2.gz QWSLQCPNOIHMFE-DEOSSOPVSA-N 1 0 536.120 5.402 1 0 KKAFRO CCCCN(CCCC)C(=O)c1cc(C)n(-c2cccc(C)c2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC000040848537 562080529 /nfs/dbraw/zinc/08/05/29/562080529.db2.gz UYNJORKAXXWQBH-SANMLTNESA-N 1 0 515.702 5.057 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040874848 562081984 /nfs/dbraw/zinc/08/19/84/562081984.db2.gz RLWXMWFCYVZNBY-ZRZAMGCNSA-N 1 0 500.662 5.165 1 0 KKAFRO COC(=O)[C@](CCC[N@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040881097 562082592 /nfs/dbraw/zinc/08/25/92/562082592.db2.gz PPUATJSILURJNL-NDEPHWFRSA-N 1 0 528.535 6.354 1 0 KKAFRO CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000040895527 562083041 /nfs/dbraw/zinc/08/30/41/562083041.db2.gz LGMKPRIBFIJWTC-TUMTZTIRSA-N 1 0 530.725 6.374 1 0 KKAFRO Cc1ccc(-c2c3ccccn3c(=O)n(CCCC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)c2=O)cc1 ZINC000040938053 562085372 /nfs/dbraw/zinc/08/53/72/562085372.db2.gz JCKHEWUNFQDEPV-UHFFFAOYSA-N 1 0 506.650 5.578 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000040952927 562086301 /nfs/dbraw/zinc/08/63/01/562086301.db2.gz GPJZELFFKDTKHW-RDGATRHJSA-N 1 0 512.538 6.292 1 0 KKAFRO CC(=O)N(CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000042806699 562089803 /nfs/dbraw/zinc/08/98/03/562089803.db2.gz SNCRDVLRIZVJEE-UHFFFAOYSA-N 1 0 566.815 7.764 1 0 KKAFRO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C)C[C@@H](C2)[NH2+]3)cc1 ZINC000042806979 562089982 /nfs/dbraw/zinc/08/99/82/562089982.db2.gz MSCHGOQQFZZRLE-DLFZDVPBSA-N 1 0 590.164 5.422 1 0 KKAFRO COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+]CC2CCCCC2)cc1O ZINC000085568450 560070171 /nfs/dbraw/zinc/07/01/71/560070171.db2.gz HIYCDYKYUAKJCK-WHMAPKLYSA-N 1 0 587.713 6.331 1 0 biogenic,in-vitro KKAFRO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1Cc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543547 560070997 /nfs/dbraw/zinc/07/09/97/560070997.db2.gz PJYCZEJJNLLJCL-GALOSCHJSA-N 1 0 515.826 9.239 1 0 biogenic,in-vitro KKAFRO CC[NH2+][C@@H]1CC[C@H](c2cc(O)cc(C[C@H]3C[C@H]([C@@]4(C)C=CC[C@H](C)C4)CC4(CCCC4)C3)c2)c2ccccc21 ZINC000085543536 560071006 /nfs/dbraw/zinc/07/10/06/560071006.db2.gz JEUZUUOUOODQMI-VTCMWEPTSA-N 1 0 525.821 9.480 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532517 560072787 /nfs/dbraw/zinc/07/27/87/560072787.db2.gz DOTWLTKYUSWDOB-HHABBVKRSA-N 1 0 547.736 6.269 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532309 560073001 /nfs/dbraw/zinc/07/30/01/560073001.db2.gz FWQPMJKPTFVFSL-QQPVXQQWSA-N 1 0 593.805 6.135 1 0 biogenic,in-vitro KKAFRO COc1cc(NC(=O)N[C@@H](C[NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC ZINC000003976125 560191866 /nfs/dbraw/zinc/19/18/66/560191866.db2.gz FQHUEFRHSWYBQS-QHCPKHFHSA-N 1 0 538.516 6.120 1 0 in-vitro KKAFRO COc1ccc(-c2cnc(SCC(=O)NCC[C@@H]3C[C@@H](Cc4ccc(Cl)c(Cl)c4)C[NH2+]3)nc2)cc1OC ZINC000003976117 560191877 /nfs/dbraw/zinc/19/18/77/560191877.db2.gz OPLAETMHSJFRBS-WIYYLYMNSA-N 1 0 561.535 5.287 1 0 in-vitro KKAFRO [NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1 ZINC000043063728 562645321 /nfs/dbraw/zinc/64/53/21/562645321.db2.gz RDNOLDWOMGZBPI-UHFFFAOYSA-N 1 0 519.502 7.158 1 0 KKAFRO C[C@@H](NC(=O)c1ccc(C=C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1)c1ccc(Br)cc1 ZINC000043071299 562645545 /nfs/dbraw/zinc/64/55/45/562645545.db2.gz YUJATLGBNGQBOM-RUZDIDTESA-N 1 0 565.555 8.287 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CC[NH+](CC)CC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000043153183 562646438 /nfs/dbraw/zinc/64/64/38/562646438.db2.gz QASOHECZVDQOIK-UHFFFAOYSA-N 1 0 607.912 5.280 1 0 KKAFRO [NH2+]=C1Nc2cnc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171637 562646571 /nfs/dbraw/zinc/64/65/71/562646571.db2.gz YEMBMUVUIMRSES-NDEPHWFRSA-N 1 0 515.702 6.082 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1 ZINC000043195276 562646719 /nfs/dbraw/zinc/64/67/19/562646719.db2.gz WFSYLDUKRIPQAT-UHFFFAOYSA-N 1 0 523.721 5.893 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NCC[NH+](C)C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043196281 562646777 /nfs/dbraw/zinc/64/67/77/562646777.db2.gz RTYHQIZCRYJKBV-GOSISDBHSA-N 1 0 594.663 6.380 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2 ZINC000043203209 562646944 /nfs/dbraw/zinc/64/69/44/562646944.db2.gz GCZHKZTYTMTFGU-JHOUSYSJSA-N 1 0 571.762 5.522 1 0 in-vitro KKAFRO CO[C@H](C)C(=O)N[C@@H](Cc1cccc(-c2nccs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000043206371 562647039 /nfs/dbraw/zinc/64/70/39/562647039.db2.gz IUSARDYWEPUTPN-OZBXUNDUSA-N 1 0 592.806 5.253 1 0 in-vitro KKAFRO Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2ccnc(Cc3cccc(F)c3C)c2n1-c1ccccc1 ZINC000043206829 562647106 /nfs/dbraw/zinc/64/71/06/562647106.db2.gz HRNAWJYGEYBSRZ-UHFFFAOYSA-N 1 0 550.653 6.148 1 0 KKAFRO Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@H](C[NH+]3CCN(c4ccccc4)CC3)c3ccccc3)n1-2 ZINC000043323506 562647857 /nfs/dbraw/zinc/64/78/57/562647857.db2.gz OEMRNLJPDBLZPQ-SSEXGKCCSA-N 1 0 559.117 6.226 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000043544040 562649589 /nfs/dbraw/zinc/64/95/89/562649589.db2.gz ZMTFMZBIOIFBMT-WUXMJOGZSA-N 1 0 537.919 6.186 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000043598661 562650107 /nfs/dbraw/zinc/65/01/07/562650107.db2.gz JCESPGJQSJLSHD-HVRNLMOBSA-N 1 0 558.719 5.768 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCO[C@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000043911093 562651193 /nfs/dbraw/zinc/65/11/93/562651193.db2.gz YBYSBOXLPMEIAC-CQTOTRCISA-N 1 0 578.584 6.202 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000044005130 562651397 /nfs/dbraw/zinc/65/13/97/562651397.db2.gz VRGCBLCNWHWXFW-OZXSUGGESA-N 1 0 584.602 6.267 1 0 KKAFRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000044031839 562651694 /nfs/dbraw/zinc/65/16/94/562651694.db2.gz RTJZMWSCHLSZOW-IZEXYCQBSA-N 1 0 591.196 6.780 1 0 KKAFRO COC(=O)CCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044070093 562652160 /nfs/dbraw/zinc/65/21/60/562652160.db2.gz SZGAPLIRORJXMB-ANSWHRQLSA-N 1 0 501.752 6.456 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087065 562652288 /nfs/dbraw/zinc/65/22/88/562652288.db2.gz ZIDJCKAKCGREPA-KSCXJQRSSA-N 1 0 608.151 5.988 1 0 KKAFRO O=C1NCCc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000044304974 562653286 /nfs/dbraw/zinc/65/32/86/562653286.db2.gz CWDGPBQWSLGFNO-UHFFFAOYSA-N 1 0 541.659 5.261 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)ncn2)s1 ZINC000044306653 562653801 /nfs/dbraw/zinc/65/38/01/562653801.db2.gz GYHAPTAGIQVJLR-QFIPXVFZSA-N 1 0 598.651 6.582 1 0 KKAFRO C[NH+](CCc1nccc2c3ccc(Br)cc3[nH]c21)CCc1nccc2c3ccc(Br)cc3[nH]c21 ZINC000044307849 562654151 /nfs/dbraw/zinc/65/41/51/562654151.db2.gz XOTOOXJTBNMZDQ-UHFFFAOYSA-N 1 0 577.324 6.988 1 0 KKAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC2CC2)CC2CC2)CC1 ZINC000044307974 562654192 /nfs/dbraw/zinc/65/41/92/562654192.db2.gz NYAOCKGMVVCWKP-SSEXGKCCSA-N 1 0 570.605 6.604 1 0 KKAFRO CCc1nc(Cc2ccccc2)oc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044350649 562654329 /nfs/dbraw/zinc/65/43/29/562654329.db2.gz OUTFXOAVNANEPM-XAGDYJCDSA-N 1 0 555.763 6.366 1 0 KKAFRO CCCCC[NH+](CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000044359154 562655440 /nfs/dbraw/zinc/65/54/40/562655440.db2.gz DIHPUPINDJBECL-ZQWAWDFXSA-N 1 0 603.723 7.982 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360946 562655678 /nfs/dbraw/zinc/65/56/78/562655678.db2.gz JLIFFPLWLAEVIL-KMRXNPHXSA-N 1 0 544.567 6.285 1 0 KKAFRO CSCCC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044387308 562656055 /nfs/dbraw/zinc/65/60/55/562656055.db2.gz NQMSNOOJBWWGON-VPUSJEBWSA-N 1 0 552.612 5.676 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cc(Cl)cc2N2CCCCC2)cc1 ZINC000044417472 562657092 /nfs/dbraw/zinc/65/70/92/562657092.db2.gz POIUZXLOSKTJIV-UHFFFAOYSA-N 1 0 539.467 5.770 1 0 KKAFRO CCc1c2ccc(OC)c(OCc3ccc(Br)cc3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000044419109 562657416 /nfs/dbraw/zinc/65/74/16/562657416.db2.gz BXTMYMFMHSCNCL-UHFFFAOYSA-N 1 0 535.458 6.280 1 0 KKAFRO CC[NH2+]CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044430684 562657593 /nfs/dbraw/zinc/65/75/93/562657593.db2.gz SZEZVGVHEGRAQG-UHFFFAOYSA-N 1 0 537.535 5.833 1 0 KKAFRO CSC1=N[C@H](N2CC[NH2+]CC2)c2c(nc3c(c2-c2ccc(Cl)cc2)CCCC3=Cc2ccc(Cl)cc2)N1 ZINC000044431677 562657896 /nfs/dbraw/zinc/65/78/96/562657896.db2.gz XCZILXVTMCCRHL-HRLDMOHTSA-N 1 0 550.559 6.790 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045166956 562657940 /nfs/dbraw/zinc/65/79/40/562657940.db2.gz HLMMHUFTDWSTBP-YADHBBJMSA-N 1 0 504.631 5.159 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[N@@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045167450 562658017 /nfs/dbraw/zinc/65/80/17/562658017.db2.gz IBMGAYKORIZRPI-GTOIDMPBSA-N 1 0 526.508 6.013 1 0 KKAFRO Cc1cc(NC(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C(C)C)CC1 ZINC000045167265 562658055 /nfs/dbraw/zinc/65/80/55/562658055.db2.gz JJFXQDXICLGPCA-UHFFFAOYSA-N 1 0 532.560 5.373 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2)C1 ZINC000045168894 562658140 /nfs/dbraw/zinc/65/81/40/562658140.db2.gz HEHXADVQZWNADQ-ARCUIZILSA-N 1 0 500.470 5.197 1 0 KKAFRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188648 562658336 /nfs/dbraw/zinc/65/83/36/562658336.db2.gz SLBYFXHYNULWMQ-IBGZPJMESA-N 1 0 501.574 5.644 1 0 KKAFRO Cc1cc2[nH]c(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)nc2cc1Cl ZINC000045189052 562658367 /nfs/dbraw/zinc/65/83/67/562658367.db2.gz NADLJHUJKCFRKS-UHFFFAOYSA-N 1 0 522.480 5.787 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)[NH2+][C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190167 562658437 /nfs/dbraw/zinc/65/84/37/562658437.db2.gz MRIXOSVAIGMWCR-BGYRXZFFSA-N 1 0 521.621 6.206 1 0 KKAFRO Cc1cccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c21 ZINC000045190268 562658447 /nfs/dbraw/zinc/65/84/47/562658447.db2.gz ZBQQLIUYSABKKX-XYOKQWHBSA-N 1 0 524.536 7.351 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)ccc1-c1ccccc1 ZINC000045192394 562658640 /nfs/dbraw/zinc/65/86/40/562658640.db2.gz KLUQCKXQCZDUAJ-UHFFFAOYSA-N 1 0 505.445 7.520 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4cc(O)ccc43)CC2)CC1 ZINC000045193764 562658741 /nfs/dbraw/zinc/65/87/41/562658741.db2.gz NTSUHDFGVVLPIG-ONNFQVAWSA-N 1 0 526.508 6.748 1 0 KKAFRO CC(C)C[C@@H](C)NC(=O)[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045195347 562658900 /nfs/dbraw/zinc/65/89/00/562658900.db2.gz NUBLFVQCJUOKDV-ZBLYBZFDSA-N 1 0 507.122 5.420 1 0 KKAFRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045195780 562658931 /nfs/dbraw/zinc/65/89/31/562658931.db2.gz NVTTWQSTOCPNHX-MHZLTWQESA-N 1 0 506.046 5.778 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000045196152 562658954 /nfs/dbraw/zinc/65/89/54/562658954.db2.gz NVAFNYHXVVAUGQ-UHFFFAOYSA-N 1 0 524.646 5.967 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045201532 562659051 /nfs/dbraw/zinc/65/90/51/562659051.db2.gz OHYUOHRHFXGOPD-DHZHZOJOSA-N 1 0 531.528 6.196 1 0 KKAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(Cc5cc(Cl)ccc5OCc5ccccc5)o4)nc3c2)CC1 ZINC000045202759 562659188 /nfs/dbraw/zinc/65/91/88/562659188.db2.gz XDERAFJBCIXZMV-UHFFFAOYSA-N 1 0 513.041 6.398 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccc(NC(=O)c5ccc(-c6ccccc6)cc5)cc4)CC3)c2c1 ZINC000045202979 562659198 /nfs/dbraw/zinc/65/91/98/562659198.db2.gz YDSFQZNKXWKNDN-UHFFFAOYSA-N 1 0 515.657 7.475 1 0 KKAFRO CCCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000045211334 562659334 /nfs/dbraw/zinc/65/93/34/562659334.db2.gz VIQRLJGAYCZNQD-UHFFFAOYSA-N 1 0 532.128 6.934 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000045226777 562659338 /nfs/dbraw/zinc/65/93/38/562659338.db2.gz SDXRGTOIFTWANP-ZTVSIKPCSA-N 1 0 522.904 6.297 1 0 KKAFRO C[N@H+](CCCc1c[nH]c2ccccc12)CCC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045226481 562659358 /nfs/dbraw/zinc/65/93/58/562659358.db2.gz XYKXYLFWEXRESJ-RVDMUPIBSA-N 1 0 512.525 7.118 1 0 KKAFRO Nc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000045227378 562659404 /nfs/dbraw/zinc/65/94/04/562659404.db2.gz VERZJMLYUPWIIW-QHHAFSJGSA-N 1 0 526.512 5.973 1 0 KKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCCc3ccccc3OC)n2)cc1 ZINC000045228100 562659445 /nfs/dbraw/zinc/65/94/45/562659445.db2.gz TVOGVADXNHIUJW-SANMLTNESA-N 1 0 511.626 5.119 1 0 KKAFRO CC(C)c1nc(-c2ccccc2)c(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000045291252 562660354 /nfs/dbraw/zinc/66/03/54/562660354.db2.gz ZLKPEAGWQXRCSO-UHFFFAOYSA-N 1 0 519.649 5.707 1 0 KKAFRO C[NH+]1CCN(c2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000045291622 562660371 /nfs/dbraw/zinc/66/03/71/562660371.db2.gz HNKRMPJIWHKDDU-UHFFFAOYSA-N 1 0 529.670 5.897 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)N(C)C)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045299958 562660407 /nfs/dbraw/zinc/66/04/07/562660407.db2.gz DLFHYNBGSVLXDR-UHFFFAOYSA-N 1 0 512.698 5.673 1 0 KKAFRO C[C@H](Cc1ccc(NC(=O)c2ccc(NCCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045301341 562660469 /nfs/dbraw/zinc/66/04/69/562660469.db2.gz BTVHEOKUVMBMFK-XMMPIXPASA-N 1 0 512.097 7.010 1 0 KKAFRO COc1cc(/C=C/C(=O)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc(OC)c1 ZINC000045301218 562660503 /nfs/dbraw/zinc/66/05/03/562660503.db2.gz ZPEGMIXVYXUVBS-BQYQJAHWSA-N 1 0 501.671 5.707 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000045302714 562660675 /nfs/dbraw/zinc/66/06/75/562660675.db2.gz WBJPTIARYMDWOQ-SOFGYWHQSA-N 1 0 510.509 6.681 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000045303019 562660779 /nfs/dbraw/zinc/66/07/79/562660779.db2.gz WYDJYWOGADOEGJ-QHCPKHFHSA-N 1 0 523.621 5.281 1 0 KKAFRO CCCCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000045303097 562660790 /nfs/dbraw/zinc/66/07/90/562660790.db2.gz UPOUALJNKSUPMA-UHFFFAOYSA-N 1 0 511.610 5.138 1 0 KKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000045320115 562660990 /nfs/dbraw/zinc/66/09/90/562660990.db2.gz YAPPCPXCPKDGIM-UHFFFAOYSA-N 1 0 526.660 5.606 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045323854 562661149 /nfs/dbraw/zinc/66/11/49/562661149.db2.gz AZZHSHMJABFTHY-UKTHLTGXSA-N 1 0 524.536 7.351 1 0 KKAFRO O=C(c1ccccc1)N1COC[C@@](CCN2CCC([NH+]3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045323667 562661159 /nfs/dbraw/zinc/66/11/59/562661159.db2.gz RCOHBGZMIZEYKM-NDEPHWFRSA-N 1 0 516.513 5.312 1 0 KKAFRO CCCCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323495 562661181 /nfs/dbraw/zinc/66/11/81/562661181.db2.gz PRVWPDNOPRWOEL-LJQANCHMSA-N 1 0 511.610 5.138 1 0 KKAFRO Cc1nc(-c2cccc(C(=O)NC3CCC(CC[N@@H+]4CCc5ccc(-c6cccnc6)cc5CC4)CC3)c2)no1 ZINC000045334542 562661256 /nfs/dbraw/zinc/66/12/56/562661256.db2.gz AXNZNHQHZDBTTM-UHFFFAOYSA-N 1 0 535.692 5.887 1 0 KKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCC(c2c4ccccc4[nH]c2-c2ccccc2)CC1)CCC3 ZINC000045335153 562661305 /nfs/dbraw/zinc/66/13/05/562661305.db2.gz GTBCNOYKBNPQPV-UMSFTDKQSA-N 1 0 503.690 7.411 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC[NH+](CCNc2ccccc2)CC1 ZINC000045335086 562661334 /nfs/dbraw/zinc/66/13/34/562661334.db2.gz BXQKYIJOGSSDIB-MMURTEQHSA-N 1 0 513.469 5.711 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045335056 562661345 /nfs/dbraw/zinc/66/13/45/562661345.db2.gz UNVIGTWXEAABJG-DNQXCXABSA-N 1 0 531.528 5.978 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCC[NH+]3CCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045367716 562662146 /nfs/dbraw/zinc/66/21/46/562662146.db2.gz TZTZOKQTFAKCOX-UHFFFAOYSA-N 1 0 529.681 5.759 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1c(F)cccc1F ZINC000048307323 562662916 /nfs/dbraw/zinc/66/29/16/562662916.db2.gz ODTDSUJOPUCNMK-UHFFFAOYSA-N 1 0 676.730 7.516 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307312 562662922 /nfs/dbraw/zinc/66/29/22/562662922.db2.gz BDNFLJUVYRSWSN-LJAQVGFWSA-N 1 0 703.555 9.582 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000048307380 562663078 /nfs/dbraw/zinc/66/30/78/562663078.db2.gz BWGRGZKEHVFBRB-ZRDIBKRKSA-N 1 0 551.946 6.576 1 0 KKAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000048307400 562663086 /nfs/dbraw/zinc/66/30/86/562663086.db2.gz XUMMRSFGZVJPSU-UHFFFAOYSA-N 1 0 581.559 5.141 1 0 KKAFRO Clc1cc2c(cc1-c1ccc(C[NH2+]CCN3CCOCC3)o1)nccc2Nc1ccc(Oc2ccccc2)cc1 ZINC000048308928 562663156 /nfs/dbraw/zinc/66/31/56/562663156.db2.gz VFOQJTKFOUNMGU-UHFFFAOYSA-N 1 0 555.078 7.106 1 0 KKAFRO CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3ccccc3C)CC1)CC2 ZINC000048999492 562663206 /nfs/dbraw/zinc/66/32/06/562663206.db2.gz CPRSUYJBVWDQCV-NDEPHWFRSA-N 1 0 509.735 6.026 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Oc5ccccc5)cc3)c4N)cc2)CC1 ZINC000049036267 562663577 /nfs/dbraw/zinc/66/35/77/562663577.db2.gz QPSCCNWGOLMGKW-UHFFFAOYSA-N 1 0 519.609 5.008 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Oc5ccccc5)cc3)c4N)c2)CC1 ZINC000049046932 562663714 /nfs/dbraw/zinc/66/37/14/562663714.db2.gz RNRCLARSVNONBS-UHFFFAOYSA-N 1 0 519.609 5.008 1 0 KKAFRO CCCCc1nc(Cl)c([C@H]2CC(c3ccc(N)cc3)=[NH+]N2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1 ZINC000049067177 562663946 /nfs/dbraw/zinc/66/39/46/562663946.db2.gz CQNPJVINSHOTME-OAQYLSRUSA-N 1 0 511.482 7.121 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2F)s1)C1CCCCC1 ZINC000049070789 562664098 /nfs/dbraw/zinc/66/40/98/562664098.db2.gz LLIIEEJHMACKQN-WYRQLCSISA-N 1 0 522.690 5.439 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2cccc(F)c2)s1)C1CCCCC1 ZINC000049071657 562664152 /nfs/dbraw/zinc/66/41/52/562664152.db2.gz ZXIUVRCLHAZSCB-WYRQLCSISA-N 1 0 522.690 5.439 1 0 KKAFRO [NH2+]=C1Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000049088915 562664374 /nfs/dbraw/zinc/66/43/74/562664374.db2.gz HNSGYYUNOLLOAJ-PMERELPUSA-N 1 0 514.714 6.687 1 0 KKAFRO Oc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(F)ccc21 ZINC000049089560 562664491 /nfs/dbraw/zinc/66/44/91/562664491.db2.gz KLRGEDJTDSUZSF-HKBQPEDESA-N 1 0 501.598 6.613 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604920 562665081 /nfs/dbraw/zinc/66/50/81/562665081.db2.gz LKUKAZIICBMYIO-LJAQVGFWSA-N 1 0 688.540 9.190 1 0 KKAFRO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604962 562665128 /nfs/dbraw/zinc/66/51/28/562665128.db2.gz NXZZWVSDLWWOMB-RTWAWAEBSA-N 1 0 553.481 5.948 1 0 KKAFRO CC(C)(C[NH2+]Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000049604995 562665181 /nfs/dbraw/zinc/66/51/81/562665181.db2.gz FMMMGYSXVUFDRI-UHFFFAOYSA-N 1 0 541.055 6.335 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605027 562665206 /nfs/dbraw/zinc/66/52/06/562665206.db2.gz OFVSQCJEUHXQPB-WUXMJOGZSA-N 1 0 571.471 6.552 1 0 KKAFRO CCc1cn(CC(=O)N(CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC[NH+](CC)CC)c(SCc2ccc(F)cc2)nc1=O ZINC000049605078 562665341 /nfs/dbraw/zinc/66/53/41/562665341.db2.gz JKPFBEWHKONWHN-UHFFFAOYSA-N 1 0 684.800 7.172 1 0 KKAFRO CC(=O)Nc1ccc(C[N@@H+]2CCc3ccc(NS(=O)(=O)c4cccc(OCc5ccc(Cl)cc5)c4)cc3CC2)s1 ZINC000049605083 562665347 /nfs/dbraw/zinc/66/53/47/562665347.db2.gz YTMSPHSNASRQIH-UHFFFAOYSA-N 1 0 596.174 6.341 1 0 KKAFRO COc1cc(C(=O)N2CC[C@H](CC[NH+]3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)C[C@H]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049605111 562665367 /nfs/dbraw/zinc/66/53/67/562665367.db2.gz NIKPWVVWKGURQG-LSYYVWMOSA-N 1 0 730.755 6.686 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCC[C@H]1CCC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049605124 562665422 /nfs/dbraw/zinc/66/54/22/562665422.db2.gz MTIBFGQHSSIDCG-JSICHVMESA-N 1 0 556.578 6.615 1 0 KKAFRO COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1N1CC[NH+](CC2CC2)CC1 ZINC000049605172 562665465 /nfs/dbraw/zinc/66/54/65/562665465.db2.gz KNFGWIWGTIFIRX-UHFFFAOYSA-N 1 0 604.651 5.179 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(NC(C)=O)cc3)cs2)cc1 ZINC000049605193 562665499 /nfs/dbraw/zinc/66/54/99/562665499.db2.gz ZFQKCALDBMLGHF-UHFFFAOYSA-N 1 0 631.651 7.356 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605323 562665709 /nfs/dbraw/zinc/66/57/09/562665709.db2.gz OVDABCVZSJHSCR-UHFFFAOYSA-N 1 0 654.201 7.898 1 0 KKAFRO COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)Cc2ccc3c(c2)OCO3)cc1F ZINC000049605334 562665751 /nfs/dbraw/zinc/66/57/51/562665751.db2.gz DDCICDSUYKHCBO-UHFFFAOYSA-N 1 0 737.850 6.553 1 0 KKAFRO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605364 562665760 /nfs/dbraw/zinc/66/57/60/562665760.db2.gz LGRMYYUELOYAIG-LSGCGUROSA-N 1 0 676.848 5.445 1 0 KKAFRO CCOc1cc(C)ccc1NC1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049605401 562665806 /nfs/dbraw/zinc/66/58/06/562665806.db2.gz NUZNDVSCOHCYME-UHFFFAOYSA-N 1 0 563.142 6.386 1 0 KKAFRO COC(=O)CCn1c2ccccc2nc1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049605381 562665810 /nfs/dbraw/zinc/66/58/10/562665810.db2.gz OODPUMOWPYTRSC-UKTHLTGXSA-N 1 0 597.587 6.474 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000049605429 562665842 /nfs/dbraw/zinc/66/58/42/562665842.db2.gz PRKJOAMEQAZHAY-UHFFFAOYSA-N 1 0 565.705 8.083 1 0 KKAFRO CC(C)c1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)CC2)c(O)c1 ZINC000049605403 562665861 /nfs/dbraw/zinc/66/58/61/562665861.db2.gz XDBLPWPCBJEMCA-UHFFFAOYSA-N 1 0 581.679 7.176 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000049605473 562665926 /nfs/dbraw/zinc/66/59/26/562665926.db2.gz FRUHZCPDYCIFKN-CZPVMAHZSA-N 1 0 557.522 5.745 1 0 KKAFRO Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)C[N@H+]3CC=CCC3)cc2)n1 ZINC000049605555 562666031 /nfs/dbraw/zinc/66/60/31/562666031.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 1 0 567.738 6.125 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605684 562666221 /nfs/dbraw/zinc/66/62/21/562666221.db2.gz HIHJNXITECFVOS-DHIUTWEWSA-N 1 0 553.481 5.948 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000049605799 562666370 /nfs/dbraw/zinc/66/63/70/562666370.db2.gz OFACJSFPQABUNO-OAQYLSRUSA-N 1 0 537.648 5.528 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000049605798 562666375 /nfs/dbraw/zinc/66/63/75/562666375.db2.gz OFACJSFPQABUNO-NRFANRHFSA-N 1 0 537.648 5.528 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)n2nc(-c3ccccc3)cc21 ZINC000049613917 562666482 /nfs/dbraw/zinc/66/64/82/562666482.db2.gz VNVSFFOUCAOIIL-UHFFFAOYSA-N 1 0 696.778 5.939 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625512 562666798 /nfs/dbraw/zinc/66/67/98/562666798.db2.gz BZILAFGVDGIZFW-QGZVFWFLSA-N 1 0 602.612 6.648 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)cc2CCc2cccc(F)c2F)CCC3)CC1 ZINC000049625931 562666966 /nfs/dbraw/zinc/66/69/66/562666966.db2.gz CLNQUVJQSKSRRJ-UHFFFAOYSA-N 1 0 691.785 7.988 1 0 KKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3OCc3cccc(F)c3)cc12 ZINC000049626106 562666986 /nfs/dbraw/zinc/66/69/86/562666986.db2.gz OMEXARDQTFLKFX-NDEPHWFRSA-N 1 0 558.657 7.267 1 0 KKAFRO C[N@@H+]1CCC[C@@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626239 562667090 /nfs/dbraw/zinc/66/70/90/562667090.db2.gz ZFHWQEUJIOCMOL-GOSISDBHSA-N 1 0 555.904 6.480 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049626356 562667135 /nfs/dbraw/zinc/66/71/35/562667135.db2.gz XACYZNUBDRDHNM-UIOOFZCWSA-N 1 0 548.609 5.977 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCC(C(C)(C)C)CC2)cc(N2CCCC2=O)c1 ZINC000049626371 562667188 /nfs/dbraw/zinc/66/71/88/562667188.db2.gz WDXGIHFSFHNRIL-HVTPQOKGSA-N 1 0 548.772 5.142 1 0 KKAFRO O=S(=O)([N-]c1cc2c(cc1OCCC[NH+]1CCCCC1)CC[NH2+]CC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049626832 562667355 /nfs/dbraw/zinc/66/73/55/562667355.db2.gz DLMKLNOYWCVSFX-UHFFFAOYSA-N 1 0 554.156 5.751 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000049626803 562667382 /nfs/dbraw/zinc/66/73/82/562667382.db2.gz SSBXLIOFVZGGIK-OIFRRMEBSA-N 1 0 563.142 5.342 1 0 KKAFRO CCOc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(CC)c1 ZINC000049626941 562667452 /nfs/dbraw/zinc/66/74/52/562667452.db2.gz ZPSLLBJWNWLHDA-UHFFFAOYSA-N 1 0 562.154 6.943 1 0 KKAFRO COc1cc2c(cc1NS(=O)(=O)c1ccc(OCc3ccc(Br)cc3)cc1)CC[N@@H+](C1CCC1)CC2 ZINC000049639109 562667611 /nfs/dbraw/zinc/66/76/11/562667611.db2.gz YNIPKLFLENFCFN-UHFFFAOYSA-N 1 0 571.537 5.791 1 0 KKAFRO COc1ccc(/C=C/C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049654829 562668145 /nfs/dbraw/zinc/66/81/45/562668145.db2.gz BLJNIMUHQACEHQ-JQIJEIRASA-N 1 0 587.710 5.415 1 0 KKAFRO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]([NH2+]CCc3c[nH]cn3)[C@@]2(O)C1 ZINC000049677954 562668400 /nfs/dbraw/zinc/66/84/00/562668400.db2.gz NSCFUDVEMNKSCV-DZVAOWLISA-N 1 0 555.848 6.688 1 0 KKAFRO CN(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[C@](C)(CC[NH+]1CCC(N2CCCC2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049677995 562668435 /nfs/dbraw/zinc/66/84/35/562668435.db2.gz XNEWLEJBYAVWCK-MUUNZHRXSA-N 1 0 602.500 6.545 1 0 KKAFRO COC(=O)[C@H](C)CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049678411 562668514 /nfs/dbraw/zinc/66/85/14/562668514.db2.gz IJADPUQVQVKFSF-LEYNWLIISA-N 1 0 537.785 7.236 1 0 KKAFRO COC(=O)[C@@H](C)CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049678409 562668529 /nfs/dbraw/zinc/66/85/29/562668529.db2.gz IJADPUQVQVKFSF-QMAJVTLTSA-N 1 0 537.785 7.236 1 0 KKAFRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678765 562668666 /nfs/dbraw/zinc/66/86/66/562668666.db2.gz PDSUGZQHFWZCJV-FIPFOOKPSA-N 1 0 614.743 5.449 1 0 KKAFRO CCCCCC[N@@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049694404 562669313 /nfs/dbraw/zinc/66/93/13/562669313.db2.gz GKGWRALXTFQWFR-FKAPRUDGSA-N 1 0 576.749 6.568 1 0 KKAFRO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccccc3OCCC[NH3+])CC2)c1 ZINC000049709749 562671436 /nfs/dbraw/zinc/67/14/36/562671436.db2.gz PYHOOLJHGHFETK-UHFFFAOYSA-N 1 0 587.809 6.612 1 0 KKAFRO COc1ccccc1/C=C/C(=O)N(C)[C@H]1CC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049710052 562671514 /nfs/dbraw/zinc/67/15/14/562671514.db2.gz USCWJPZRMKKICH-IXHDCXJQSA-N 1 0 544.523 5.548 1 0 KKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000049710042 562671521 /nfs/dbraw/zinc/67/15/21/562671521.db2.gz XWKFNGSYXJWQRX-UHFFFAOYSA-N 1 0 582.572 7.342 1 0 KKAFRO CCOc1ccc(C(=O)N2CCO[C@@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049710862 562671855 /nfs/dbraw/zinc/67/18/55/562671855.db2.gz RARSKXGKOSZRBG-UUWRZZSWSA-N 1 0 593.595 7.130 1 0 KKAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc2N(c1ccccc1)S(C)(=O)=O ZINC000049710906 562671883 /nfs/dbraw/zinc/67/18/83/562671883.db2.gz CNTONTVAMHTARU-UZNNEEJFSA-N 1 0 646.898 6.725 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710915 562671895 /nfs/dbraw/zinc/67/18/95/562671895.db2.gz WZXINJTXKIEZPD-NNWRFLSQSA-N 1 0 572.364 6.586 1 0 KKAFRO CC(=O)Oc1c(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)ccc2c1CCCC2 ZINC000049711121 562671956 /nfs/dbraw/zinc/67/19/56/562671956.db2.gz QZTLWQBRLXUBSU-UHFFFAOYSA-N 1 0 602.175 6.786 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(NC(=O)CC[NH+]4CCCCC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000049711127 562671995 /nfs/dbraw/zinc/67/19/95/562671995.db2.gz XGJSSOZECJIKFN-GOSISDBHSA-N 1 0 552.100 5.794 1 0 KKAFRO O=C(NCCCC[NH2+]C[C@@H](Cc1cccc(O)c1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049722581 562672251 /nfs/dbraw/zinc/67/22/51/562672251.db2.gz ZPCQOTWQQWWEGL-MUUNZHRXSA-N 1 0 556.106 6.424 1 0 KKAFRO Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6nccc(N7CCC[N@@H+](C)CC7)c6cc54)cccc23)cc(C)n1 ZINC000049722697 562672380 /nfs/dbraw/zinc/67/23/80/562672380.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 1 0 541.699 6.412 1 0 KKAFRO COCC[NH+]1CCC(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722688 562672388 /nfs/dbraw/zinc/67/23/88/562672388.db2.gz AWSOBCWOGREGSD-UHFFFAOYSA-N 1 0 733.778 7.770 1 0 KKAFRO COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CC[NH+](C(C)C)CC3)C2=O)cc1OC ZINC000049722706 562672404 /nfs/dbraw/zinc/67/24/04/562672404.db2.gz HNHVMPSSZUKSGA-HHHXNRCGSA-N 1 0 626.845 5.094 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049722796 562672559 /nfs/dbraw/zinc/67/25/59/562672559.db2.gz KFARKMWACJVSHM-GHRIWEEISA-N 1 0 600.634 8.955 1 0 KKAFRO CC(C)(C)c1ccc(C[NH2+]CCOc2ccc(Nc3nnc(-c4ccc(-c5ncc[nH]5)cc4)o3)c3ccccc23)cc1 ZINC000049722873 562672643 /nfs/dbraw/zinc/67/26/43/562672643.db2.gz XQJULYIOUVJATD-UHFFFAOYSA-N 1 0 558.686 7.490 1 0 KKAFRO CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049722907 562672692 /nfs/dbraw/zinc/67/26/92/562672692.db2.gz NCGBFKLOKVMVDA-XDFJSJKPSA-N 1 0 596.772 5.103 1 0 KKAFRO CCc1ccc(CNC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)o1 ZINC000049722982 562672753 /nfs/dbraw/zinc/67/27/53/562672753.db2.gz CEMZBHDGSBBBKE-NRFANRHFSA-N 1 0 602.371 5.959 1 0 KKAFRO COc1cccc(C(C)(C)[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCCS3(=O)=O)c2F)c1 ZINC000049723051 562672847 /nfs/dbraw/zinc/67/28/47/562672847.db2.gz DPBFOQPSDUCUGV-CQTOTRCISA-N 1 0 651.845 5.649 1 0 KKAFRO C[NH+](C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049723104 562672951 /nfs/dbraw/zinc/67/29/51/562672951.db2.gz UQUYCTYOXNKVBN-SFHVURJKSA-N 1 0 529.306 5.091 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723230 562673100 /nfs/dbraw/zinc/67/31/00/562673100.db2.gz KWOJGLWJTMKOGT-PIZIKKFZSA-N 1 0 633.793 5.163 1 0 KKAFRO CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049723289 562673136 /nfs/dbraw/zinc/67/31/36/562673136.db2.gz PBDZLXXLJJBEML-UHFFFAOYSA-N 1 0 608.570 6.336 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)CC(C)C)CCO2)CC1 ZINC000049723309 562673188 /nfs/dbraw/zinc/67/31/88/562673188.db2.gz CTULACSGASNQTB-SSEXGKCCSA-N 1 0 545.551 6.107 1 0 KKAFRO O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049723304 562673214 /nfs/dbraw/zinc/67/32/14/562673214.db2.gz ZODMUAAVGKXMFB-RIEGYYRVSA-N 1 0 698.820 6.210 1 0 KKAFRO COc1ccc(Cn2c3ccc(C(=O)NCC[NH+]4CCCC4)cc3nc2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049723311 562673220 /nfs/dbraw/zinc/67/32/20/562673220.db2.gz DSVTYFNTJQFYIZ-UHFFFAOYSA-N 1 0 572.031 6.335 1 0 KKAFRO O=C(NC1CCN(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049744764 562673497 /nfs/dbraw/zinc/67/34/97/562673497.db2.gz CRCZATXWUOULPT-UHFFFAOYSA-N 1 0 574.691 6.928 1 0 KKAFRO Cc1c(Cn2ncc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c(Cl)c2=O)cccc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049744801 562673498 /nfs/dbraw/zinc/67/34/98/562673498.db2.gz REJOYDJLQJDQCA-OYRHEFFESA-N 1 0 557.098 5.751 1 0 KKAFRO O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049745392 562673841 /nfs/dbraw/zinc/67/38/41/562673841.db2.gz LALWPXBJMSLKPS-HKBQPEDESA-N 1 0 579.726 5.555 1 0 KKAFRO O=C(NCc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)s1)c1ccccc1 ZINC000049745437 562673852 /nfs/dbraw/zinc/67/38/52/562673852.db2.gz MOFGJNZHYMZDDE-UHFFFAOYSA-N 1 0 576.788 5.440 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cccc3c2CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049745435 562673877 /nfs/dbraw/zinc/67/38/77/562673877.db2.gz FTOWKFNPHKVSIR-UHFFFAOYSA-N 1 0 545.127 5.803 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccsc2c(=O)nc1SCc1ccc(F)cc1 ZINC000049745375 562673879 /nfs/dbraw/zinc/67/38/79/562673879.db2.gz WSOYITMCZCRKQX-UHFFFAOYSA-N 1 0 682.809 7.946 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1-c1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049745612 562673964 /nfs/dbraw/zinc/67/39/64/562673964.db2.gz FWIMJSZEAQGRRA-UHFFFAOYSA-N 1 0 640.710 7.147 1 0 KKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049745906 562674151 /nfs/dbraw/zinc/67/41/51/562674151.db2.gz REJLMMCFRDJUBT-UHFFFAOYSA-N 1 0 566.590 7.719 1 0 KKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049746124 562674250 /nfs/dbraw/zinc/67/42/50/562674250.db2.gz AQBIPWHIWZFQLT-YADHBBJMSA-N 1 0 554.638 6.039 1 0 KKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049746126 562674265 /nfs/dbraw/zinc/67/42/65/562674265.db2.gz AQBIPWHIWZFQLT-VXKWHMMOSA-N 1 0 554.638 6.039 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746763 562674597 /nfs/dbraw/zinc/67/45/97/562674597.db2.gz FTWKOTDTSQWSAL-UHFFFAOYSA-N 1 0 606.837 5.648 1 0 KKAFRO CC(C)C[NH+]1CCC(COc2ccc3ncn(-c4cc(O[C@H](C)c5ccccc5C(F)(F)F)c(C(N)=O)s4)c3c2)CC1 ZINC000049746843 562674642 /nfs/dbraw/zinc/67/46/42/562674642.db2.gz IVLGMONOKPGNMJ-HXUWFJFHSA-N 1 0 600.707 7.092 1 0 KKAFRO COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OCCCN3CC[NH+](C)CC3)cc21 ZINC000049756678 562675140 /nfs/dbraw/zinc/67/51/40/562675140.db2.gz FLGQTDLHJSQLIG-UHFFFAOYSA-N 1 0 570.719 5.684 1 0 KKAFRO CN(C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1c1ccccc1 ZINC000049756914 562675295 /nfs/dbraw/zinc/67/52/95/562675295.db2.gz QTRSZPGOWFRCSK-GDLZYMKVSA-N 1 0 571.678 5.443 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCOc1cccc2[nH]c4ccccc4c21)CCc1cc2c(cc1-3)OCO2 ZINC000049756877 562675299 /nfs/dbraw/zinc/67/52/99/562675299.db2.gz FNLORPOMDYXOFV-UHFFFAOYSA-N 1 0 559.642 6.960 1 0 KKAFRO CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCC[NH+](C(C)C)C(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000049756967 562675349 /nfs/dbraw/zinc/67/53/49/562675349.db2.gz ZGLNGYNCYDMDPA-QOEXFKEZSA-N 1 0 563.738 8.159 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1O ZINC000049757057 562675443 /nfs/dbraw/zinc/67/54/43/562675443.db2.gz XXSQNJQHHHVCBG-UHFFFAOYSA-N 1 0 556.692 5.381 1 0 KKAFRO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2cc1OCCCN1CC[NH+](C)CC1 ZINC000049757311 562675826 /nfs/dbraw/zinc/67/58/26/562675826.db2.gz DWCZEZXJZXJTHE-UHFFFAOYSA-N 1 0 540.693 5.675 1 0 KKAFRO CCOC(=O)c1nccn1-c1ccc(NC(=O)[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000049766979 562677316 /nfs/dbraw/zinc/67/73/16/562677316.db2.gz QNQQOCOEVIOOFR-RUZDIDTESA-N 1 0 539.617 5.307 1 0 KKAFRO CC(C)(C)C[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049771932 562678463 /nfs/dbraw/zinc/67/84/63/562678463.db2.gz XBOFJPSCQGVLPB-WUFINQPMSA-N 1 0 635.856 6.323 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1ncnc(NCCCN2CC[NH+](C)CC2)n1 ZINC000049775200 562678936 /nfs/dbraw/zinc/67/89/36/562678936.db2.gz BCNXUFFSRWFFQA-UHFFFAOYSA-N 1 0 644.706 5.583 1 0 KKAFRO O=C(CCOCCc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049777000 562679483 /nfs/dbraw/zinc/67/94/83/562679483.db2.gz QUZYOFQJXMGVPT-UHFFFAOYSA-N 1 0 561.170 7.376 1 0 KKAFRO CCOCCC[NH+]1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 ZINC000049777229 562679810 /nfs/dbraw/zinc/67/98/10/562679810.db2.gz MOPHVRWHWYOJKJ-HKBQPEDESA-N 1 0 618.888 5.804 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc3)c4N)c2)CC1 ZINC000049777350 562679950 /nfs/dbraw/zinc/67/99/50/562679950.db2.gz PHVRYQBXECZHNT-UHFFFAOYSA-N 1 0 571.607 5.668 1 0 KKAFRO C[C@@H](Cc1ccc2nccnc2c1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049777386 562680009 /nfs/dbraw/zinc/68/00/09/562680009.db2.gz ZUKSFLFVDPKYES-DAANFHMWSA-N 1 0 547.694 5.174 1 0 KKAFRO NC(=O)COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c(O)c3)CC2)ccc2c1CCCC2 ZINC000049777721 562680450 /nfs/dbraw/zinc/68/04/50/562680450.db2.gz MSZLSBFWMWNNOT-UHFFFAOYSA-N 1 0 590.164 5.845 1 0 KKAFRO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)ccc1Cl ZINC000049777891 562680635 /nfs/dbraw/zinc/68/06/35/562680635.db2.gz PCVYJQQTOFZNQT-PLQXJYEYSA-N 1 0 537.067 6.070 1 0 KKAFRO Cn1cc(C2CC[NH+](CCCCNC(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3CO)CC2)c2ccccc21 ZINC000049777974 562680764 /nfs/dbraw/zinc/68/07/64/562680764.db2.gz YTNWAUIDHIPCJS-UHFFFAOYSA-N 1 0 570.681 6.203 1 0 KKAFRO CC(C)c1ccc(NC(=O)NCCC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049778076 562680936 /nfs/dbraw/zinc/68/09/36/562680936.db2.gz YIYGCJCPGKWKQB-LJZAYONRSA-N 1 0 587.636 7.730 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3cc(NC(=O)CC4CCCC4)ccc3C)cc2)cc1 ZINC000049780381 562681650 /nfs/dbraw/zinc/68/16/50/562681650.db2.gz SEGRMEIKXQGMEN-UHFFFAOYSA-N 1 0 554.735 6.505 1 0 KKAFRO C[C@](C[NH3+])(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049781097 562682593 /nfs/dbraw/zinc/68/25/93/562682593.db2.gz KBBHXCQPIMWCBS-SSEXGKCCSA-N 1 0 595.945 7.635 1 0 KKAFRO CSc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 ZINC000049781367 562682965 /nfs/dbraw/zinc/68/29/65/562682965.db2.gz TYQZZRQBYYICKJ-ZNZIZOMTSA-N 1 0 620.738 6.206 1 0 KKAFRO COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781406 562683057 /nfs/dbraw/zinc/68/30/57/562683057.db2.gz PQAFUDFHGAKJHZ-SANMLTNESA-N 1 0 666.517 8.508 1 0 KKAFRO CCOC(=O)[C@@H](NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c[n+]1Cc1ccccc1)C(C)C ZINC000049783922 562683292 /nfs/dbraw/zinc/68/32/92/562683292.db2.gz YHUCJEMKJSKEIO-XIFFEERXSA-O 1 0 548.707 6.081 1 0 KKAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 ZINC000049792878 562684557 /nfs/dbraw/zinc/68/45/57/562684557.db2.gz POKLFLYOUOPFHQ-MHZLTWQESA-N 1 0 554.776 5.213 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802148 562685494 /nfs/dbraw/zinc/68/54/94/562685494.db2.gz OUUBFURQCNHLLS-YTTGMZPUSA-N 1 0 623.867 5.973 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCOc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2 ZINC000049807916 562686568 /nfs/dbraw/zinc/68/65/68/562686568.db2.gz ASGAQZKMYHVVJH-UHFFFAOYSA-N 1 0 520.605 6.479 1 0 KKAFRO OCC[NH2+]Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[n-]6)CC5)cc4)nc3ccn12 ZINC000049823083 562686978 /nfs/dbraw/zinc/68/69/78/562686978.db2.gz VAUFUYIXMLRDFA-UHFFFAOYSA-N 1 0 636.764 5.253 1 0 KKAFRO c1nnc2n1CCN(c1ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n1)C2 ZINC000049832994 562687356 /nfs/dbraw/zinc/68/73/56/562687356.db2.gz CLGHRVKBVKFOQI-UHFFFAOYSA-N 1 0 646.763 5.530 1 0 KKAFRO CN1CC[NH+](Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049833068 562687500 /nfs/dbraw/zinc/68/75/00/562687500.db2.gz RIXXXEWTJFUQDB-UHFFFAOYSA-N 1 0 636.753 7.116 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049841121 562688044 /nfs/dbraw/zinc/68/80/44/562688044.db2.gz ZKRCASJJSTVLLH-UHFFFAOYSA-N 1 0 729.836 6.957 1 0 KKAFRO O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC([NH+]5CCCCC5)CC4)cc3)n2)c1 ZINC000049841394 562688282 /nfs/dbraw/zinc/68/82/82/562688282.db2.gz NVKNRLYOPWKSFW-UHFFFAOYSA-N 1 0 684.795 8.187 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)C[C@H]3c4ccccc4[NH+]=C(N(C)C)N3c3ccccc3)cc2)cc1 ZINC000049850454 562688684 /nfs/dbraw/zinc/68/86/84/562688684.db2.gz BUARRUHMMCHOQJ-PMERELPUSA-N 1 0 567.715 5.613 1 0 in-vivo KKAFRO c1ccc(-c2cc3cnc(N4CCOCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000049877405 562690134 /nfs/dbraw/zinc/69/01/34/562690134.db2.gz JAMBSYYIFVKXOS-UHFFFAOYSA-N 1 0 609.738 5.755 1 0 KKAFRO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2C(F)(F)F)cc1 ZINC000049881559 562690902 /nfs/dbraw/zinc/69/09/02/562690902.db2.gz PXBPKCJLRURUKW-NRFANRHFSA-N 1 0 591.479 5.868 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CCC[NH2+]3)ncn2)s1 ZINC000049881947 562691307 /nfs/dbraw/zinc/69/13/07/562691307.db2.gz LCDJHHUERIUMFY-INIZCTEOSA-N 1 0 542.543 5.213 1 0 KKAFRO CS(=O)(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049888938 562691620 /nfs/dbraw/zinc/69/16/20/562691620.db2.gz CZZAPGYQDMJOEO-UHFFFAOYSA-N 1 0 686.846 5.000 1 0 KKAFRO CC(C)(c1cc(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1)c1ccccc1 ZINC000049889156 562691842 /nfs/dbraw/zinc/69/18/42/562691842.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 1 0 568.806 6.664 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC ZINC000049889363 562692047 /nfs/dbraw/zinc/69/20/47/562692047.db2.gz QXJNTMSGRQZRFO-YKILCQELSA-N 1 0 649.754 7.822 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)Cc4cccc5c(Br)cccc45)CC3)c2c1 ZINC000049917528 562693520 /nfs/dbraw/zinc/69/35/20/562693520.db2.gz KIOUDLLSKQFWCA-NDEPHWFRSA-N 1 0 548.481 5.016 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@H+](C)CC4)CCN1C ZINC000049898771 562692828 /nfs/dbraw/zinc/69/28/28/562692828.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 1 0 668.787 6.877 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000049908036 562693432 /nfs/dbraw/zinc/69/34/32/562693432.db2.gz USQYUJVKKVOFNM-UHFFFAOYSA-N 1 0 537.648 5.528 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@](CCC[NH+]2CCN(c3ccccc3O)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049917571 562693540 /nfs/dbraw/zinc/69/35/40/562693540.db2.gz IGADVDXBUGASOJ-HKBQPEDESA-N 1 0 552.546 6.475 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1 ZINC000049917660 562693697 /nfs/dbraw/zinc/69/36/97/562693697.db2.gz JAPFQZAJGVYFLV-YTTGMZPUSA-N 1 0 598.571 7.040 1 0 KKAFRO CCOc1cc(C)c(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1C ZINC000049917709 562693771 /nfs/dbraw/zinc/69/37/71/562693771.db2.gz CYBFMPBXRZTMQH-UHFFFAOYSA-N 1 0 562.154 6.997 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCc1ccccn1 ZINC000049917701 562693796 /nfs/dbraw/zinc/69/37/96/562693796.db2.gz IFHCXBCMGXCRLS-UHFFFAOYSA-N 1 0 625.213 7.573 1 0 KKAFRO CC(C)c1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049917803 562693975 /nfs/dbraw/zinc/69/39/75/562693975.db2.gz HDSUPVPWCKQFOQ-NTUHNPAUSA-N 1 0 545.555 6.703 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917879 562694063 /nfs/dbraw/zinc/69/40/63/562694063.db2.gz DYYLJIKLFBCHTO-ADZFYQLHSA-N 1 0 709.891 6.752 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[NH+]3CCC(c4ccc(Cl)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049918030 562694314 /nfs/dbraw/zinc/69/43/14/562694314.db2.gz CPOZHXWBGUMLEA-XIFFEERXSA-N 1 0 648.027 7.310 1 0 KKAFRO Cc1ccc(NC(=S)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000049918074 562694392 /nfs/dbraw/zinc/69/43/92/562694392.db2.gz DOHTZLBHSAHUQU-DHZHZOJOSA-N 1 0 568.014 6.660 1 0 KKAFRO OCCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000049933363 562694894 /nfs/dbraw/zinc/69/48/94/562694894.db2.gz HHHDZZQDYVCTTK-SPAQEMODSA-N 1 0 692.897 7.350 1 0 KKAFRO CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942343 562695477 /nfs/dbraw/zinc/69/54/77/562695477.db2.gz AAULUGZZFCAQJP-LJAQVGFWSA-N 1 0 559.736 5.352 1 0 in-vivo KKAFRO COc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)c1 ZINC000052569992 562695919 /nfs/dbraw/zinc/69/59/19/562695919.db2.gz FKRUTODYQQBSGD-WMPKNSHKSA-N 1 0 502.622 5.417 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000053007053 562696104 /nfs/dbraw/zinc/69/61/04/562696104.db2.gz BXOKIJAEZHPQKJ-HHHXNRCGSA-N 1 0 519.670 6.184 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000053050559 562696116 /nfs/dbraw/zinc/69/61/16/562696116.db2.gz FWYVIDHPTFCOBL-UHFFFAOYSA-N 1 0 601.614 5.107 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000053178310 562696396 /nfs/dbraw/zinc/69/63/96/562696396.db2.gz SMRCIXIIGDJROI-UHFFFAOYSA-N 1 0 528.705 5.497 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C)cc3)cc1)CC2 ZINC000053226696 562696595 /nfs/dbraw/zinc/69/65/95/562696595.db2.gz YZRFXVQCBQMVFL-PMERELPUSA-N 1 0 531.741 6.219 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 ZINC000053230937 562696768 /nfs/dbraw/zinc/69/67/68/562696768.db2.gz OZJZLSFHVWYGCM-PMERELPUSA-N 1 0 547.740 5.920 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(F)cc3)cc1)CC2 ZINC000053242708 562696770 /nfs/dbraw/zinc/69/67/70/562696770.db2.gz VURBJJWGUCRDTO-LJAQVGFWSA-N 1 0 535.704 6.050 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696948 /nfs/dbraw/zinc/69/69/48/562696948.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 1 0 539.095 5.665 1 0 KKAFRO C[NH+]1CCN(c2cnc3c(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)c(F)c4)ccnc3n2)CC1 ZINC000058538038 562698783 /nfs/dbraw/zinc/69/87/83/562698783.db2.gz FYJYZQYGCSFZQW-UHFFFAOYSA-N 1 0 559.499 5.510 1 0 KKAFRO CN1CC[NH+](C2CCN(c3cc(-n4ccnc4Nc4cc(Nc5ccc(OC(F)(F)F)cc5)ncn4)cc(C(F)(F)F)c3)CC2)CC1 ZINC000058548729 562699166 /nfs/dbraw/zinc/69/91/66/562699166.db2.gz XRJHLPFKTVKRNL-UHFFFAOYSA-N 1 0 661.655 6.283 1 0 KKAFRO CC(=O)NC(C)(C)[C@H]1OC2(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000058580866 562699734 /nfs/dbraw/zinc/69/97/34/562699734.db2.gz YYCCWOBZNRVRNZ-PZXMZKPCSA-N 1 0 630.176 5.625 1 0 KKAFRO COCCc1ccc(Cl)c(C[C@@H](C[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058581814 562699842 /nfs/dbraw/zinc/69/98/42/562699842.db2.gz YJHICJFUTHGVGB-AHKZPQOWSA-N 1 0 605.046 8.378 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000058592486 562700572 /nfs/dbraw/zinc/70/05/72/562700572.db2.gz BLTSSHCGYRGBOC-UHFFFAOYSA-N 1 0 565.640 6.623 1 0 KKAFRO C[NH+](C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058603106 562700913 /nfs/dbraw/zinc/70/09/13/562700913.db2.gz YXIXTXIXPQXZLG-UHFFFAOYSA-N 1 0 509.481 6.390 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000058615956 562701068 /nfs/dbraw/zinc/70/10/68/562701068.db2.gz FLCFXXDYBIGOAA-RWBAYWIHSA-N 1 0 545.683 6.044 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)N1CCC(F)(F)C1 ZINC000058649935 562701293 /nfs/dbraw/zinc/70/12/93/562701293.db2.gz XFXXFTJQZRTTAK-NGKQEFFVSA-N 1 0 678.211 6.830 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3)cc2)c(Cl)c1 ZINC000059031015 562701599 /nfs/dbraw/zinc/70/15/99/562701599.db2.gz KQSHVFKMFCTXDI-DEOSSOPVSA-N 1 0 540.918 8.365 1 0 KKAFRO CCCCCc1ccc(CN(C(=[NH+]c2ccc(N(C)C)cc2C)C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000059033299 562701609 /nfs/dbraw/zinc/70/16/09/562701609.db2.gz VXXBVFNSCIQMTG-AREMUKBSSA-N 1 0 577.810 7.724 1 0 KKAFRO CCCCCc1ccc(CN(C(=[NH+]c2ccc(N(C)C)cc2C)C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000059033297 562701640 /nfs/dbraw/zinc/70/16/40/562701640.db2.gz VXXBVFNSCIQMTG-SANMLTNESA-N 1 0 577.810 7.724 1 0 KKAFRO CCCCCCC(CCCCCC)N(Cc1ccc(CC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033385 562701698 /nfs/dbraw/zinc/70/16/98/562701698.db2.gz RVBDDUYJLFUJEU-UHFFFAOYSA-N 1 0 633.918 9.222 1 0 KKAFRO CC[NH+](CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 ZINC000059244336 562701927 /nfs/dbraw/zinc/70/19/27/562701927.db2.gz OHOZLCLODUUATN-UHFFFAOYSA-N 1 0 574.128 5.208 1 0 KKAFRO CC[NH+](CC)CCN=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059287885 562701991 /nfs/dbraw/zinc/70/19/91/562701991.db2.gz NOBFIFQEUVJBSH-DIPNUNPCSA-N 1 0 562.523 5.692 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000059796428 562702353 /nfs/dbraw/zinc/70/23/53/562702353.db2.gz FGNVWFVQBRWEIN-QHHIVDTJSA-N 1 0 567.651 8.181 3 0 KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059796531 562702370 /nfs/dbraw/zinc/70/23/70/562702370.db2.gz UOFOKNBGWSHUMG-ALQBRSPBSA-N 1 0 510.603 7.789 3 0 KKAFRO Cc1ccccc1[C@H](c1ncccc1C)N(C)C(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906048 562703026 /nfs/dbraw/zinc/70/30/26/562703026.db2.gz SMHWNDJHYPROPY-MUUNZHRXSA-N 1 0 526.508 6.344 3 0 KKAFRO Cn1cc(C[NH+]2CCC(C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907289 562703086 /nfs/dbraw/zinc/70/30/86/562703086.db2.gz OGGRXZHPJZOSGR-JGCGQSQUSA-N 1 0 515.661 5.753 3 0 KKAFRO CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061906723 562703094 /nfs/dbraw/zinc/70/30/94/562703094.db2.gz SRAUXLKDIRXQJW-OAQYLSRUSA-N 1 0 511.573 5.815 3 0 KKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061926143 562703575 /nfs/dbraw/zinc/70/35/75/562703575.db2.gz QQYAPCJBIKFBEQ-WJOKGBTCSA-N 1 0 507.634 6.000 3 0 KKAFRO COc1ccc2sc(-c3cc(OC)cc(OC)c3)c(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2c1 ZINC000061944875 562703821 /nfs/dbraw/zinc/70/38/21/562703821.db2.gz RXXIZKWGZYFLCL-UHFFFAOYSA-N 1 0 503.664 7.126 3 0 KKAFRO CC[C@@](C)(CC[NH+]1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000062212975 562704340 /nfs/dbraw/zinc/70/43/40/562704340.db2.gz SYSNHJYXRAUBPE-NDEPHWFRSA-N 1 0 501.662 5.737 1 0 KKAFRO C[C@@H](C[NH+]1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000064321345 562704741 /nfs/dbraw/zinc/70/47/41/562704741.db2.gz SKRSEMAOUGTIHW-CLTPBEKXSA-N 1 0 627.773 6.898 1 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(CNS(C)(=O)=O)c3)C[C@@H]2C1)C(C)C ZINC000064403859 562704955 /nfs/dbraw/zinc/70/49/55/562704955.db2.gz HSSCXHCWSGPAFF-CXVLVDDRSA-N 1 0 593.209 5.991 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000064436810 562705215 /nfs/dbraw/zinc/70/52/15/562705215.db2.gz KRHBVAWBKLCFPR-SFTDATJTSA-N 1 0 533.039 5.548 1 0 KKAFRO CC[NH+](CC)CCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447260 562705377 /nfs/dbraw/zinc/70/53/77/562705377.db2.gz CWNSNVQIEOGVMW-UHFFFAOYSA-N 1 0 580.773 6.947 1 0 KKAFRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448612 562705554 /nfs/dbraw/zinc/70/55/54/562705554.db2.gz DVDIKQQQXLCKGK-SFTDATJTSA-N 1 0 548.601 5.563 1 0 KKAFRO Clc1ccc([C@H](c2ccccc2)N2CCC[N@H+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491757 562705964 /nfs/dbraw/zinc/70/59/64/562705964.db2.gz RTXSHWCVMKPGAX-PMERELPUSA-N 1 0 519.520 7.141 1 0 KKAFRO O=C(CCC[NH+]1CCC(O)(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514004 562706515 /nfs/dbraw/zinc/70/65/15/562706515.db2.gz IJSPBXBGZJAXBL-UHFFFAOYSA-N 1 0 583.816 7.401 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(=O)NC2CC2)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064526943 562706773 /nfs/dbraw/zinc/70/67/73/562706773.db2.gz IKROAVAVBXVDKX-XVTZWQNCSA-N 1 0 514.510 5.976 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1cc(F)c(F)c(F)c1 ZINC000064527370 562706881 /nfs/dbraw/zinc/70/68/81/562706881.db2.gz XXXRBTHKYGUIPZ-UHFFFAOYSA-N 1 0 598.641 7.798 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4cnc5cnccn54)cc3C)cc2)c(Cl)c1 ZINC000064527980 562707215 /nfs/dbraw/zinc/70/72/15/562707215.db2.gz KJVIYDPVYSPYOA-DEOSSOPVSA-N 1 0 561.513 7.063 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCCC2=O)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064528098 562707278 /nfs/dbraw/zinc/70/72/78/562707278.db2.gz RHVQKCNMAFZXCK-OUPRXKBMSA-N 1 0 514.510 6.072 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000064539996 562707647 /nfs/dbraw/zinc/70/76/47/562707647.db2.gz HIVHEOCGLZASLB-YKSBVNFPSA-N 1 0 521.678 6.110 1 0 KKAFRO COC(=O)Cc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064548443 562707848 /nfs/dbraw/zinc/70/78/48/562707848.db2.gz COEFPCKSMNXHEU-MHZLTWQESA-N 1 0 592.563 7.736 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4CCOC(N)=O)cc3C)cc2)c(Cl)c1 ZINC000064549032 562707965 /nfs/dbraw/zinc/70/79/65/562707965.db2.gz GFHPIXQQVBFKDB-HHHXNRCGSA-N 1 0 607.578 7.658 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4ccnc(N)c4)cc3C)cc2)c(Cl)c1 ZINC000064549354 562708064 /nfs/dbraw/zinc/70/80/64/562708064.db2.gz XHLCQIDTHMOIJG-DEOSSOPVSA-N 1 0 536.503 6.997 1 0 KKAFRO COc1ccc(C2(CCC[N@@H+]3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549895 562708190 /nfs/dbraw/zinc/70/81/90/562708190.db2.gz YACCVVUNICRPSW-WJOKGBTCSA-N 1 0 531.693 5.872 1 0 KKAFRO CC(C)(C)c1ccc(C2(CCC[N@@H+]3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550068 562708223 /nfs/dbraw/zinc/70/82/23/562708223.db2.gz ZLRSPZURKJYEMQ-MGBGTMOVSA-N 1 0 557.775 7.161 1 0 KKAFRO CC[NH+](CC)[C@H](C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000064633900 562708940 /nfs/dbraw/zinc/70/89/40/562708940.db2.gz MFKSCHLTNILBBP-JOCHJYFZSA-N 1 0 551.562 7.559 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cccc(-c2c[nH]c3ncnc(Oc4ccc(NC(=O)CC(=O)Nc5ccc(F)cc5)cc4F)c23)c1 ZINC000064664386 562709005 /nfs/dbraw/zinc/70/90/05/562709005.db2.gz ZADDPMRPBSMSJN-QPJJXVBHSA-N 1 0 625.636 5.719 3 0 KKAFRO Cn1nc(C2CC[NH+](CCC(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1-c1cccnc1 ZINC000066066062 562709242 /nfs/dbraw/zinc/70/92/42/562709242.db2.gz NWIKPVTXURDRHZ-VWLOTQADSA-N 1 0 552.510 5.598 1 0 KKAFRO COc1cccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c1 ZINC000066066112 562709279 /nfs/dbraw/zinc/70/92/79/562709279.db2.gz FPDYNLCFLHJVOJ-ZORMNXRFSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066114 562709280 /nfs/dbraw/zinc/70/92/80/562709280.db2.gz HNONFUHKZPMDDO-ZUKKLESISA-N 1 0 632.554 7.056 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066195 562709285 /nfs/dbraw/zinc/70/92/85/562709285.db2.gz AKNNBMGJZOFXCC-QPQHGXMVSA-N 1 0 578.584 6.346 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066481 562709390 /nfs/dbraw/zinc/70/93/90/562709390.db2.gz DGLDUQZIRFLLRH-ZUKKLESISA-N 1 0 564.557 6.037 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000066066565 562709447 /nfs/dbraw/zinc/70/94/47/562709447.db2.gz SEMQEWSTNNIGOV-XYFQYJLHSA-N 1 0 549.637 5.148 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073700 562709493 /nfs/dbraw/zinc/70/94/93/562709493.db2.gz QLLNKTNPRXOQMG-VCTRWQRLSA-N 1 0 594.583 6.046 1 0 KKAFRO CSc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073706 562709519 /nfs/dbraw/zinc/70/95/19/562709519.db2.gz WKAVKEJZJBPTLN-CMVGPNDKSA-N 1 0 610.651 6.759 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073980 562709595 /nfs/dbraw/zinc/70/95/95/562709595.db2.gz PASMKWHBPPXXIM-YAZNYETNSA-N 1 0 542.749 6.007 1 0 KKAFRO O=C(Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1 ZINC000066075103 562709970 /nfs/dbraw/zinc/70/99/70/562709970.db2.gz RHAYOMZUUNTCTB-GDLZYMKVSA-N 1 0 548.643 5.011 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(F)c2)CC1 ZINC000066077161 562710226 /nfs/dbraw/zinc/71/02/26/562710226.db2.gz FJEJFXRCQWIVHR-QVWWMRLHSA-N 1 0 531.647 5.009 1 0 KKAFRO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000066097213 562710774 /nfs/dbraw/zinc/71/07/74/562710774.db2.gz AKTDKZICQYOPAE-VVFBEHOQSA-N 1 0 589.583 5.069 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2ccsc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066099080 562711040 /nfs/dbraw/zinc/71/10/40/562711040.db2.gz TVOHRYCZUZVYDP-FYBSXPHGSA-N 1 0 570.586 6.099 1 0 KKAFRO O=C(NC1(C(=O)N[C@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1 ZINC000066100606 562711261 /nfs/dbraw/zinc/71/12/61/562711261.db2.gz ZXRIWIVIXXWDGK-PGUFJCEWSA-N 1 0 610.843 5.434 1 0 KKAFRO CC(C)c1ccc(-c2ccc(NC(=O)[C@H](NCC[NH+]3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101593 562711377 /nfs/dbraw/zinc/71/13/77/562711377.db2.gz BYWHBBZUWYOAJA-DRMYUUQQSA-N 1 0 615.822 7.466 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2csc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000066104055 562711654 /nfs/dbraw/zinc/71/16/54/562711654.db2.gz ZPQAPQRWGBOGAD-UHFFFAOYSA-N 1 0 512.741 6.447 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(OC)c3)cs2)cc1 ZINC000066104574 562711716 /nfs/dbraw/zinc/71/17/16/562711716.db2.gz LETHYNKJEAZBKZ-UHFFFAOYSA-N 1 0 513.729 5.842 1 0 KKAFRO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066123464 562712519 /nfs/dbraw/zinc/71/25/19/562712519.db2.gz WYRQQURJJXPEAL-XMMPIXPASA-N 1 0 552.597 5.590 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136358 562713070 /nfs/dbraw/zinc/71/30/70/562713070.db2.gz QBCPLURXVNHHSR-YDPTYEFTSA-N 1 0 628.009 6.270 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000066148771 562713655 /nfs/dbraw/zinc/71/36/55/562713655.db2.gz AGQRDMGTSVKJPI-GTNJKRJXSA-N 1 0 599.654 5.025 3 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+]CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157549 562713952 /nfs/dbraw/zinc/71/39/52/562713952.db2.gz MRLNQNFCYNVUEX-PKTZIBPZSA-N 1 0 558.727 5.367 1 0 KKAFRO CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167024 562714212 /nfs/dbraw/zinc/71/42/12/562714212.db2.gz PGSAXCJWCDSMCF-DEOSSOPVSA-N 1 0 521.727 5.319 1 0 KKAFRO COC(=O)CCCCCCCCCCC[NH+]1CCC(CNC(=O)c2c3ccccc3n3c2OCCC3)CC1 ZINC000066251763 562714541 /nfs/dbraw/zinc/71/45/41/562714541.db2.gz LSBAOGBIAIEROK-UHFFFAOYSA-N 1 0 525.734 5.940 1 0 KKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000066252752 562714883 /nfs/dbraw/zinc/71/48/83/562714883.db2.gz AJXQHQPJSCMSFK-UHFFFAOYSA-N 1 0 556.883 8.561 1 0 KKAFRO CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCC[N@H+](C)C1 ZINC000066259002 562715152 /nfs/dbraw/zinc/71/51/52/562715152.db2.gz GBYAZONQWPEDEC-HXUWFJFHSA-N 1 0 579.593 5.788 1 0 KKAFRO COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C[NH2+]CC4CCCCC4)cc3)n2)C2CCCC2)cc1 ZINC000066259824 562715360 /nfs/dbraw/zinc/71/53/60/562715360.db2.gz LJDVQUIEOMPMNW-UHFFFAOYSA-N 1 0 553.794 6.622 1 0 KKAFRO COCCCc1ccc(Cl)c(CN(C(=O)C2=C(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)CC[NH2+]C2)C2CC2)c1 ZINC000068246653 562716125 /nfs/dbraw/zinc/71/61/25/562716125.db2.gz JQBFVGQINSZSAW-UHFFFAOYSA-N 1 0 658.066 7.930 1 0 KKAFRO Cc1c(N2CCOC(C)(C)C2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000068248875 562716219 /nfs/dbraw/zinc/71/62/19/562716219.db2.gz FKBIGKZFSSEDIY-UHFFFAOYSA-N 1 0 523.628 5.098 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)C3CCC(c4nnc(C)s4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631600 562716447 /nfs/dbraw/zinc/71/64/47/562716447.db2.gz YKBYRDMBJORZED-JIBABVKTSA-N 1 0 545.793 7.446 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(Cl)nc4)CC3)C(C)(C)C2)cc1 ZINC000070631586 562716462 /nfs/dbraw/zinc/71/64/62/562716462.db2.gz PRWXESAUYURLIF-MLWJCNIFSA-N 1 0 560.182 7.198 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)CO)CC1 ZINC000071280656 562716545 /nfs/dbraw/zinc/71/65/45/562716545.db2.gz IBTNQJYKQQGHQP-FITHBNAOSA-N 1 0 528.741 5.482 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071281759 562716719 /nfs/dbraw/zinc/71/67/19/562716719.db2.gz DTDCDTSLQAMFQK-PDIVMOMKSA-N 1 0 500.793 5.675 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)cc1C(F)(F)F)CCc1cc2c(cc1-3)OCO2 ZINC000071295993 562717411 /nfs/dbraw/zinc/71/74/11/562717411.db2.gz KPUGEYUDBQUMRE-UHFFFAOYSA-N 1 0 512.435 5.465 1 0 KKAFRO O=C(Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000071296539 562717579 /nfs/dbraw/zinc/71/75/79/562717579.db2.gz RJMQKFHABFCYKZ-UHFFFAOYSA-N 1 0 583.563 8.532 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccncc2)c2ccc(Br)cc2)CC1 ZINC000071296899 562717631 /nfs/dbraw/zinc/71/76/31/562717631.db2.gz AOUQIZRTIMIHNA-HFJWLAOPSA-N 1 0 592.365 6.587 1 0 KKAFRO Cc1cccnc1O[C@H](c1ccc(Br)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071315959 562717807 /nfs/dbraw/zinc/71/78/07/562717807.db2.gz BPLIGEHINHNRPM-NIYFSFCBSA-N 1 0 606.392 6.895 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316368 562717892 /nfs/dbraw/zinc/71/78/92/562717892.db2.gz UXVWNNLEVYCLBG-JYFHCDHNSA-N 1 0 542.598 5.419 1 0 KKAFRO CO[C@@]12CCCC[C@@]13CC[N@H+](CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13 ZINC000071316785 562718061 /nfs/dbraw/zinc/71/80/61/562718061.db2.gz OVPROZAAWKHKOP-GFMHJGOASA-N 1 0 615.855 8.084 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317806 562718313 /nfs/dbraw/zinc/71/83/13/562718313.db2.gz BAMUFKAYCZHEJW-QUGAMOGWSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000071329307 562718902 /nfs/dbraw/zinc/71/89/02/562718902.db2.gz YEPHDGFKVQDXBN-WXTAPIANSA-N 1 0 592.365 6.587 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329644 562718984 /nfs/dbraw/zinc/71/89/84/562718984.db2.gz YZUWTIDKWIGKBL-NSYGIPOTSA-N 1 0 615.911 7.496 1 0 KKAFRO Cc1cccc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071330056 562719080 /nfs/dbraw/zinc/71/90/80/562719080.db2.gz YJMPQXVFNAVTQP-WINIVTDRSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C2=NOCc3cc(Br)ccc32)CC1 ZINC000071330620 562719190 /nfs/dbraw/zinc/71/91/90/562719190.db2.gz LZPAZFLZEUXWCJ-AWEZNQCLSA-N 1 0 540.289 5.306 1 0 KKAFRO COc1ccc(/C=C2\C[N@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000071334638 562719650 /nfs/dbraw/zinc/71/96/50/562719650.db2.gz QFGLZVPTFMTCKV-UJLHVFMHSA-N 1 0 569.061 6.132 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107088 562721185 /nfs/dbraw/zinc/72/11/85/562721185.db2.gz NSVHQTYRLWNOFR-PZWMIYICSA-N 1 0 676.292 8.131 1 0 KKAFRO CC(C)C(=O)CO[C@@H](C)OC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000072109686 562721619 /nfs/dbraw/zinc/72/16/19/562721619.db2.gz MFMVZFKHSFEUBT-HSZRJFAPSA-N 1 0 603.681 8.404 1 0 KKAFRO CC[NH+](CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072112935 562722196 /nfs/dbraw/zinc/72/21/96/562722196.db2.gz YKLLFVQSYPMPIH-KYJUHHDHSA-N 1 0 568.545 7.202 1 0 KKAFRO CC[NH+](CC)CC(=O)N1C(c2ccc(OC)cc2OC(C)C)=N[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072112937 562722198 /nfs/dbraw/zinc/72/21/98/562722198.db2.gz YKLLFVQSYPMPIH-IHLOFXLRSA-N 1 0 568.545 7.202 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072113527 562722417 /nfs/dbraw/zinc/72/24/17/562722417.db2.gz JQCMYNGCBCCXJU-CSORWWAUSA-N 1 0 546.718 6.166 1 0 KKAFRO C[N@H+](CCc1ccccc1)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000072114113 562722651 /nfs/dbraw/zinc/72/26/51/562722651.db2.gz JTXPQHDLXYZOSC-UHFFFAOYSA-N 1 0 507.077 7.763 1 0 KKAFRO C[NH2+]C[C@H](CC(C)(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1 ZINC000072116304 562723063 /nfs/dbraw/zinc/72/30/63/562723063.db2.gz HLLCDRAMRWCDFV-IWITZMJESA-N 1 0 539.761 5.929 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118155 562723393 /nfs/dbraw/zinc/72/33/93/562723393.db2.gz KYIVTVHLBYHQGA-QUGAMOGWSA-N 1 0 560.542 7.556 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@H](CCCC[NH3+])C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119045 562723782 /nfs/dbraw/zinc/72/37/82/562723782.db2.gz HEWBYZPOUNEUEA-KQECVKDNSA-N 1 0 672.875 5.575 1 0 KKAFRO CC[NH+]1CCN(Cc2cc(NC(=O)Nc3ccc(C(=O)Nc4cnn(Cc5ccc(OC)cc5)c4N)c(C)c3)cc(C(F)(F)F)c2)CC1 ZINC000072122183 562724479 /nfs/dbraw/zinc/72/44/79/562724479.db2.gz MZRFKQKFMIGNHV-UHFFFAOYSA-N 1 0 664.733 5.883 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000072123305 562724707 /nfs/dbraw/zinc/72/47/07/562724707.db2.gz GJLNONMXNYAOTE-MMLCPGSSSA-N 1 0 543.748 5.736 1 0 KKAFRO COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(C[NH+](C)C)c3)ncn2)c1Cl ZINC000072123477 562724728 /nfs/dbraw/zinc/72/47/28/562724728.db2.gz VJVZPGBCTGRTJD-UHFFFAOYSA-N 1 0 505.406 5.274 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123641 562724747 /nfs/dbraw/zinc/72/47/47/562724747.db2.gz MFOSXQZBPFJMMX-NLGDKJDOSA-N 1 0 633.447 7.344 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123626 562724800 /nfs/dbraw/zinc/72/48/00/562724800.db2.gz GNXSWEKHDYCYOO-UKJJDJLKSA-N 1 0 633.447 7.344 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127730 562725891 /nfs/dbraw/zinc/72/58/91/562725891.db2.gz OHKIQZQGBKFRKA-BBACVFHCSA-N 1 0 662.026 6.467 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726166 /nfs/dbraw/zinc/72/61/66/562726166.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 1 0 696.264 7.080 1 0 KKAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC[C@]12CCCN1C(=O)N(CCCC[NH+]1CCN(c3cccc4ccccc43)CC1)C2=O ZINC000072128773 562726308 /nfs/dbraw/zinc/72/63/08/562726308.db2.gz XULKSGNOZSMMCZ-VZUYHUTRSA-N 1 0 753.026 7.077 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)CC1 ZINC000072128776 562726353 /nfs/dbraw/zinc/72/63/53/562726353.db2.gz ZLWQWQHSUOIEMO-ZVBBVAIHSA-N 1 0 682.237 6.356 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000072129837 562726458 /nfs/dbraw/zinc/72/64/58/562726458.db2.gz QDNYTPPKWHGRTA-BWMKXQIXSA-N 1 0 678.274 6.941 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(O)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129851 562726497 /nfs/dbraw/zinc/72/64/97/562726497.db2.gz OPNZVJCPRYEKIM-FITHBNAOSA-N 1 0 662.256 5.783 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(Cl)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129944 562726592 /nfs/dbraw/zinc/72/65/92/562726592.db2.gz QIWBAGAFCNFWSW-ULJKERAFSA-N 1 0 715.147 7.385 1 0 KKAFRO COC(=O)c1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000072132827 562726923 /nfs/dbraw/zinc/72/69/23/562726923.db2.gz BBPIAZGYCZVTCO-CLYVBNDRSA-N 1 0 639.502 6.630 1 0 KKAFRO C=CC(=O)Nc1ccc(CN2c3nc(NCCCC[NH+](CC)CC)ncc3CN(c3c(Cl)c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000072132855 562726949 /nfs/dbraw/zinc/72/69/49/562726949.db2.gz VWOFYIPJIBZAOM-UHFFFAOYSA-N 1 0 656.615 6.606 3 0 KKAFRO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134221 562727301 /nfs/dbraw/zinc/72/73/01/562727301.db2.gz JMUQRGSDGTXYBZ-ZQWQDMLBSA-N 1 0 726.069 6.759 3 0 KKAFRO CCC[N@H+](C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072135848 562727618 /nfs/dbraw/zinc/72/76/18/562727618.db2.gz DPWBPPWCHVQSHF-RPQPUBLWSA-N 1 0 553.744 5.076 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000072136094 562727758 /nfs/dbraw/zinc/72/77/58/562727758.db2.gz VLUBEHZZNKTZLC-RWYJCYHVSA-N 1 0 603.522 6.129 1 0 KKAFRO Cc1cccnc1[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136537 562728011 /nfs/dbraw/zinc/72/80/11/562728011.db2.gz WFTORSOXVDSRQK-HHHXNRCGSA-N 1 0 530.471 6.175 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072136893 562728180 /nfs/dbraw/zinc/72/81/80/562728180.db2.gz ATTUPCZLFJNLHD-HQPLKVBUSA-N 1 0 714.058 6.528 3 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137864 562728444 /nfs/dbraw/zinc/72/84/44/562728444.db2.gz ZUFKXVUREMYOOB-LJAQVGFWSA-N 1 0 552.477 6.677 3 0 KKAFRO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072138377 562728753 /nfs/dbraw/zinc/72/87/53/562728753.db2.gz SGXJPGOGXFONHH-LJAQVGFWSA-N 1 0 530.594 6.280 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072139380 562728904 /nfs/dbraw/zinc/72/89/04/562728904.db2.gz ALEFYJITYVGOBP-WISKXVKBSA-N 1 0 730.057 6.233 3 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(C)C)cc1 ZINC000072141547 562729420 /nfs/dbraw/zinc/72/94/20/562729420.db2.gz OSFWTSQMFSKNRE-VWLOTQADSA-N 1 0 502.684 5.572 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(C)C)cc1 ZINC000072141548 562729425 /nfs/dbraw/zinc/72/94/25/562729425.db2.gz OSFWTSQMFSKNRE-RUZDIDTESA-N 1 0 502.684 5.572 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)cn1 ZINC000072147608 562729753 /nfs/dbraw/zinc/72/97/53/562729753.db2.gz OVAYUYZHPUCXTA-NLDZOOGBSA-N 1 0 687.112 6.866 1 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155023 562730138 /nfs/dbraw/zinc/73/01/38/562730138.db2.gz IOCCJLLQYQBDKI-CONSDPRKSA-N 1 0 682.814 6.523 3 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172207 562730700 /nfs/dbraw/zinc/73/07/00/562730700.db2.gz FXDLFSBOMPJLKF-UHFFFAOYSA-N 1 0 528.605 5.511 1 0 KKAFRO COc1cc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OC1CC[NH+](C)CC1 ZINC000072173002 562730729 /nfs/dbraw/zinc/73/07/29/562730729.db2.gz FMYKRAFLJUUNIH-UHFFFAOYSA-N 1 0 548.636 5.269 1 0 KKAFRO Cc1ccc(CN2c3cc(C(=O)NCCC[N@@H+](C)C4CCCCC4)ccc3[S@](=O)c3ccccc3C2=O)c(C)c1 ZINC000072173430 562730934 /nfs/dbraw/zinc/73/09/34/562730934.db2.gz ZJRYVYSMLLTUKI-FAIXQHPJSA-N 1 0 557.760 6.015 1 0 KKAFRO C[N@H+](CCN1CCN(N)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000072182467 562732868 /nfs/dbraw/zinc/73/28/68/562732868.db2.gz YMLAHNMDBQZXRZ-UHFFFAOYSA-N 1 0 694.837 6.292 1 0 KKAFRO CC1(C)C[C@@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(=O)NC4CCCCC4)CC3)C2)C(=O)O1 ZINC000073139490 562733427 /nfs/dbraw/zinc/73/34/27/562733427.db2.gz KFNHIONVGXVTNZ-WJOKGBTCSA-N 1 0 566.768 5.768 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000073197979 562735579 /nfs/dbraw/zinc/73/55/79/562735579.db2.gz TYLNNGCQIRIJKC-HXUWFJFHSA-N 1 0 579.494 7.087 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000073198724 562735829 /nfs/dbraw/zinc/73/58/29/562735829.db2.gz GNTTUIJPNYTMAD-MGBGTMOVSA-N 1 0 617.190 5.074 1 0 KKAFRO O=C(N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2coc3cccc(F)c3c2=O)cc1 ZINC000073222167 562736365 /nfs/dbraw/zinc/73/63/65/562736365.db2.gz ZGESOBLLPIMSKB-NDEPHWFRSA-N 1 0 510.609 6.392 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccccc1 ZINC000073224883 562736762 /nfs/dbraw/zinc/73/67/62/562736762.db2.gz LEHHYQLIWLBROC-YEHREXKJSA-N 1 0 509.119 5.748 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)ncc3c2)ccn1 ZINC000073258570 562737072 /nfs/dbraw/zinc/73/70/72/562737072.db2.gz INCNZIQEIQYEPG-UHFFFAOYSA-N 1 0 547.457 5.539 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000073370736 562738427 /nfs/dbraw/zinc/73/84/27/562738427.db2.gz MJJXCIAWUYSLTC-VUYBWUDLSA-N 1 0 634.793 6.397 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1 ZINC000073403432 562738669 /nfs/dbraw/zinc/73/86/69/562738669.db2.gz UIZGWTRYQVFMHV-UVDDSOTQSA-N 1 0 569.574 5.373 1 0 KKAFRO Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136603 562738929 /nfs/dbraw/zinc/73/89/29/562738929.db2.gz CTGSOWJIAUEWCB-YTTGMZPUSA-N 1 0 675.758 5.611 1 0 KKAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]C3CC3)ccc2Cl)C2CC2)cc1 ZINC000082140719 562739572 /nfs/dbraw/zinc/73/95/72/562739572.db2.gz NVFLGLBQTPKSRR-MGBGTMOVSA-N 1 0 647.216 5.082 1 0 KKAFRO COc1ccc(C[C@@H]2CC(=O)N(c3ccccc3C(=O)OC[C@@H]3CCC[N@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000082153445 562740213 /nfs/dbraw/zinc/74/02/13/562740213.db2.gz UNYHZMFOWCLOMI-VSGBNLITSA-N 1 0 554.687 5.319 1 0 KKAFRO CCOC(=O)Nc1nc(NCCCC[NH+](CC)CC)c2c(n1)S[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153688 562740228 /nfs/dbraw/zinc/74/02/28/562740228.db2.gz YAJWMGFMGNZQPU-RUZDIDTESA-N 1 0 532.714 6.547 1 0 KKAFRO CC(C)c1c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082154898 562740417 /nfs/dbraw/zinc/74/04/17/562740417.db2.gz NMPLROITLQYWAS-WOXYUUSFSA-N 1 0 504.759 6.402 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157520 562740961 /nfs/dbraw/zinc/74/09/61/562740961.db2.gz UUJNEICCDMYHRP-SHUZPENHSA-N 1 0 705.889 5.419 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4c(F)c(F)c(F)c(F)c4F)c4ccccc4c3=O)CC2)c1 ZINC000082157839 562740977 /nfs/dbraw/zinc/74/09/77/562740977.db2.gz ZYWZWAPBWGKDQY-UHFFFAOYSA-N 1 0 570.562 5.987 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157918 562741000 /nfs/dbraw/zinc/74/10/00/562741000.db2.gz BDTZGVGKDZTCTN-IZKCBNJNSA-N 1 0 541.095 5.633 1 0 KKAFRO Cc1cccc2occ(-c3ccc(C(=O)N[C@H]4CCCc5cc(C[NH+]6CCCCC6)ccc54)cc3)c(=O)c12 ZINC000082157802 562741012 /nfs/dbraw/zinc/74/10/12/562741012.db2.gz VQEYUCNVVZABSK-LJAQVGFWSA-N 1 0 506.646 6.562 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164953 562741345 /nfs/dbraw/zinc/74/13/45/562741345.db2.gz ANPQBASXSZBVPK-AFPLUKJUSA-N 1 0 709.852 5.249 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165064 562741365 /nfs/dbraw/zinc/74/13/65/562741365.db2.gz YPTCVVCGFGDLDX-VBTAUBHQSA-N 1 0 709.852 5.249 1 0 KKAFRO C[NH+](CCCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21)CCCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21 ZINC000082190237 562742477 /nfs/dbraw/zinc/74/24/77/562742477.db2.gz AXCQDMSAVFKHJZ-UHFFFAOYSA-N 1 0 685.832 7.543 1 0 KKAFRO O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)CC2)c(Cl)c1 ZINC000084544619 562743310 /nfs/dbraw/zinc/74/33/10/562743310.db2.gz JJRADQKVVICSCX-UHFFFAOYSA-N 1 0 602.101 5.349 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(F)cc(F)c2)n1 ZINC000084596537 562743721 /nfs/dbraw/zinc/74/37/21/562743721.db2.gz GZNHYMHPPOVXIP-IZZNHLLZSA-N 1 0 542.621 5.957 1 0 KKAFRO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC(c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)CC2)C1 ZINC000084603980 562744216 /nfs/dbraw/zinc/74/42/16/562744216.db2.gz XVTHIKWKZYCYJU-BJKOFHAPSA-N 1 0 595.056 7.043 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCCCC3)ccn2)cc2c[nH]nc21 ZINC000084604086 562744263 /nfs/dbraw/zinc/74/42/63/562744263.db2.gz OATCGYGVXJZTCA-UUWRZZSWSA-N 1 0 618.782 6.784 1 0 KKAFRO Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(C[NH+]3CCCCC3)cn2)cc2c[nH]nc21 ZINC000084614778 562744379 /nfs/dbraw/zinc/74/43/79/562744379.db2.gz VCAWQPVISZKOIS-LJAQVGFWSA-N 1 0 605.787 6.007 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084615116 562744439 /nfs/dbraw/zinc/74/44/39/562744439.db2.gz SIMOVLXVNFYMQI-NSHDSACASA-N 1 0 522.886 5.659 1 0 KKAFRO CNc1nc2ccc(C)cc2c(NCc2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)n1 ZINC000084616867 562744678 /nfs/dbraw/zinc/74/46/78/562744678.db2.gz YXPQMNZUCFFYIX-UHFFFAOYSA-N 1 0 512.633 5.126 1 0 KKAFRO O=C(C[C@H](Nc1cccc2ccccc21)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084617901 562744979 /nfs/dbraw/zinc/74/49/79/562744979.db2.gz FYHOAXUGVKLSBG-UMSFTDKQSA-N 1 0 622.814 5.526 1 0 KKAFRO O=C(NCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084619164 562745192 /nfs/dbraw/zinc/74/51/92/562745192.db2.gz QPKOVCUUEVVGKK-UHFFFAOYSA-N 1 0 511.666 6.793 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4ccccc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084653492 562746883 /nfs/dbraw/zinc/74/68/83/562746883.db2.gz HPLQQIPBTRZDSJ-UMSFTDKQSA-N 1 0 561.085 7.574 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+](C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084653703 562746954 /nfs/dbraw/zinc/74/69/54/562746954.db2.gz ZXUBMYZZSMMJTO-CTWZREHQSA-N 1 0 576.519 6.381 1 0 KKAFRO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)OCO5)N(C)CC4 ZINC000084653887 562747036 /nfs/dbraw/zinc/74/70/36/562747036.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 1 0 636.745 6.883 1 0 KKAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(c(F)c3)NCC43CCC(F)(F)CC3)[C@@H]2O)c1 ZINC000084654025 562747125 /nfs/dbraw/zinc/74/71/25/562747125.db2.gz YSVPVGYQIWTLEZ-UDZXTKBFSA-N 1 0 564.714 5.102 1 0 in-vitro KKAFRO C[C@H](Oc1cc(-c2cc(-c3ccc(C[NH+]4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655183 562747435 /nfs/dbraw/zinc/74/74/35/562747435.db2.gz UDRXFTHAAGUSLS-IBGZPJMESA-N 1 0 580.676 7.303 1 0 KKAFRO C[C@H](Oc1cc(-c2cc(-c3cc(C[NH+](C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655193 562747448 /nfs/dbraw/zinc/74/74/48/562747448.db2.gz DNZGEPPZYMAFLN-INIZCTEOSA-N 1 0 540.611 6.379 1 0 KKAFRO C[C@@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655416 562747503 /nfs/dbraw/zinc/74/75/03/562747503.db2.gz AKWNDIGQZONPHP-MRXNPFEDSA-N 1 0 540.611 6.379 1 0 KKAFRO COCc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084670404 562748303 /nfs/dbraw/zinc/74/83/03/562748303.db2.gz IMDUBFJHSLNSIL-XIFFEERXSA-N 1 0 629.871 7.934 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000084672063 562748730 /nfs/dbraw/zinc/74/87/30/562748730.db2.gz MDFWPYZNXYAWAK-RRPNLBNLSA-N 1 0 585.715 6.009 1 0 KKAFRO CN(C(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000084706863 562750034 /nfs/dbraw/zinc/75/00/34/562750034.db2.gz XFADZMKHUVUZNL-NDEPHWFRSA-N 1 0 504.675 6.591 1 0 KKAFRO Fc1cc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)ccc1Cl ZINC000084709172 562750271 /nfs/dbraw/zinc/75/02/71/562750271.db2.gz TYJLQBFGIJNZAL-YTTGMZPUSA-N 1 0 581.051 6.503 1 0 KKAFRO C[C@H](Oc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084712423 562750767 /nfs/dbraw/zinc/75/07/67/562750767.db2.gz GWVVKACJTNKJAO-KRWDZBQOSA-N 1 0 535.570 5.712 1 0 KKAFRO Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000084723425 562751100 /nfs/dbraw/zinc/75/11/00/562751100.db2.gz XSJWMYWMOTWCAL-MUUNZHRXSA-N 1 0 502.977 6.046 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccncc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084757350 562752402 /nfs/dbraw/zinc/75/24/02/562752402.db2.gz FSKMGQHZDVVZFD-WMELESEDSA-N 1 0 687.820 5.498 1 0 KKAFRO C[N@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000084757227 562752413 /nfs/dbraw/zinc/75/24/13/562752413.db2.gz LPCKLAOPKGFZKH-UHFFFAOYSA-N 1 0 528.649 6.195 1 0 KKAFRO COc1c(C(C)C)cc(C(=O)NC[C@@H]2CCN(C(=O)CCCC[C@H](c3ccccc3)C3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000084758457 562752648 /nfs/dbraw/zinc/75/26/48/562752648.db2.gz NOAVFVRVYCXART-GMCHKSTQSA-N 1 0 589.865 7.206 1 0 KKAFRO COc1cc(CN2CC[NH+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000084759487 562752930 /nfs/dbraw/zinc/75/29/30/562752930.db2.gz FSLMXULFVDTVHG-UHFFFAOYSA-N 1 0 538.679 6.501 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4c5ccccn5nc4-c4ccccc4)n3)cc2)c1 ZINC000089464853 562753593 /nfs/dbraw/zinc/75/35/93/562753593.db2.gz OCZDPFMSAKKNRH-OQLLNIDSSA-N 1 0 608.706 6.511 1 0 KKAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095538427 562754781 /nfs/dbraw/zinc/75/47/81/562754781.db2.gz CJIAEEZLBUNTLI-FSEITFBQSA-N 1 0 779.945 6.436 1 0 KKAFRO CC[NH+](CC)C[C@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(=O)c4cc(Br)cc(Br)c4nc3-c3ccccc3)cc2)C1=O ZINC000095540205 562755578 /nfs/dbraw/zinc/75/55/78/562755578.db2.gz KVUNLHHSMXAIAJ-UYHPJTEGSA-N 1 0 761.540 7.207 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccccn1 ZINC000095541935 562756416 /nfs/dbraw/zinc/75/64/16/562756416.db2.gz ATVAFUOHBKPGNW-RVGRUIDQSA-N 1 0 802.037 6.160 1 0 KKAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000095542368 562756712 /nfs/dbraw/zinc/75/67/12/562756712.db2.gz IZMABJSAEWWVAZ-ILGLXFKISA-N 1 0 812.053 5.149 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000095546158 562758373 /nfs/dbraw/zinc/75/83/73/562758373.db2.gz KWDFBFZCEVNAHE-WVBQXTTCSA-N 1 0 788.990 5.165 1 0 KKAFRO C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548800 562759510 /nfs/dbraw/zinc/75/95/10/562759510.db2.gz PUWXIJWAYYMLGI-ALGJUVBXSA-N 1 0 788.864 5.797 1 0 KKAFRO CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[N@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@H]1F ZINC000095552631 562760712 /nfs/dbraw/zinc/76/07/12/562760712.db2.gz UFYHSHPKWNIZHL-RSXGOPAZSA-N 1 0 514.571 5.244 1 0 KKAFRO CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H]([NH3+])CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccn1 ZINC000095553374 562760957 /nfs/dbraw/zinc/76/09/57/562760957.db2.gz ATLHHAOOYRUXSA-HVIUQXSKSA-N 1 0 801.053 6.126 1 0 KKAFRO Cc1ccc(COc2cc(OCc3ccc(C)cc3)cc(-c3cc(=O)c4ccc(OC[C@@H](O)C[NH2+]C(C)C)cc4o3)c2)cc1 ZINC000095555644 562761604 /nfs/dbraw/zinc/76/16/04/562761604.db2.gz AXSXJBXGMAUCSL-PMERELPUSA-N 1 0 593.720 6.973 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)c(Cc3ccccc3)c2)cc1Cc1ccccc1 ZINC000095557180 562762053 /nfs/dbraw/zinc/76/20/53/562762053.db2.gz VEMJHNZTOTWBSN-UHFFFAOYSA-N 1 0 523.673 6.418 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]CCc1cc2ccccc2[nH]1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000095558008 562762279 /nfs/dbraw/zinc/76/22/79/562762279.db2.gz WYNCAJGPRWRKFD-WVBQXTTCSA-N 1 0 788.990 5.165 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095558836 562762544 /nfs/dbraw/zinc/76/25/44/562762544.db2.gz JBCJJEHPSVVXAK-UHFFFAOYSA-N 1 0 623.705 6.507 1 0 KKAFRO O=C(Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc2s1)NC1CC[NH2+]CC1 ZINC000095559722 562762853 /nfs/dbraw/zinc/76/28/53/562762853.db2.gz LHNMPRFVNZMLCH-UHFFFAOYSA-N 1 0 540.571 5.503 1 0 KKAFRO O=C(Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1 ZINC000095561150 562763271 /nfs/dbraw/zinc/76/32/71/562763271.db2.gz ZOEVOBCGXDCBQC-UHFFFAOYSA-N 1 0 566.609 5.388 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)N4CC[C@]5(CC[NH2+]C5)C4)[nH]c32)cc1 ZINC000095561421 562763380 /nfs/dbraw/zinc/76/33/80/562763380.db2.gz JNKHVJBHDOHETG-HKBQPEDESA-N 1 0 539.684 5.429 1 0 KKAFRO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)[N@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095566270 562764832 /nfs/dbraw/zinc/76/48/32/562764832.db2.gz DZGZFXRKNSZUSK-JLELKNTQSA-N 1 0 573.738 5.285 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566302 562764869 /nfs/dbraw/zinc/76/48/69/562764869.db2.gz IFLLFBGKWUQYRJ-WNQKLBQRSA-N 1 0 721.899 6.941 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566635 562765121 /nfs/dbraw/zinc/76/51/21/562765121.db2.gz HSYUUPPAKBJHIW-SGHJWQDXSA-N 1 0 628.648 5.430 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095566756 562765269 /nfs/dbraw/zinc/76/52/69/562765269.db2.gz NHGHJDDGJPIKGB-BUEREQSYSA-N 1 0 590.687 5.512 1 0 KKAFRO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095566943 562765384 /nfs/dbraw/zinc/76/53/84/562765384.db2.gz DKFJGYQTLBOWCX-MKGJDZFWSA-N 1 0 558.723 5.493 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567103 562765527 /nfs/dbraw/zinc/76/55/27/562765527.db2.gz OFYJPRSBIVOGOZ-HNMNOHOESA-N 1 0 666.663 6.649 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567324 562765675 /nfs/dbraw/zinc/76/56/75/562765675.db2.gz AOGINIYPPPQZNW-QKPBDYBRSA-N 1 0 702.856 5.546 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567356 562765717 /nfs/dbraw/zinc/76/57/17/562765717.db2.gz AMEWTOKWBIKYEC-AZAGJHQNSA-N 1 0 664.807 5.446 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567441 562765792 /nfs/dbraw/zinc/76/57/92/562765792.db2.gz VYCOOHAMPRTWAW-NNTYELGISA-N 1 0 719.927 6.745 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567478 562765848 /nfs/dbraw/zinc/76/58/48/562765848.db2.gz YUKCNNACWFASQX-BCDQWZCSSA-N 1 0 628.648 5.430 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567520 562765866 /nfs/dbraw/zinc/76/58/66/562765866.db2.gz XVJMWCXMALPRRA-USUMGCFOSA-N 1 0 661.796 5.700 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568107 562766351 /nfs/dbraw/zinc/76/63/51/562766351.db2.gz XJOPVLQFFGEWNL-JWUQWVJQSA-N 1 0 597.678 5.168 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568251 562766444 /nfs/dbraw/zinc/76/64/44/562766444.db2.gz BYLIWFZGYMHZPB-SFXKCFQESA-N 1 0 674.764 7.297 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568294 562766512 /nfs/dbraw/zinc/76/65/12/562766512.db2.gz KHFPDWFEACXBKS-DGHZZKTQSA-N 1 0 678.251 6.214 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095568643 562766815 /nfs/dbraw/zinc/76/68/15/562766815.db2.gz XHCFGJIATIGRMD-UTKFAANNSA-N 1 0 650.780 5.517 1 0 KKAFRO FC(F)(F)c1cccc(C[C@@H]2C[N@H+](Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569031 562767109 /nfs/dbraw/zinc/76/71/09/562767109.db2.gz OFGKYXXVDCFLBX-MUUNZHRXSA-N 1 0 541.444 8.777 3 0 KKAFRO C[NH2+]C1CCN([C@@H](Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3c(c2Cl)c(F)ccc3F)CC1 ZINC000095569471 562767440 /nfs/dbraw/zinc/76/74/40/562767440.db2.gz RUOUXRFGKIUTHP-QHCPKHFHSA-N 1 0 526.052 6.373 1 0 KKAFRO 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 ZINC000095570791 562768513 /nfs/dbraw/zinc/76/85/13/562768513.db2.gz STCNQGKHPZHYJD-XDWGWCSASA-N 1 0 711.826 6.096 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095571348 562768989 /nfs/dbraw/zinc/76/89/89/562768989.db2.gz PIPSXTOHKBCCEO-VBEKBXFHSA-N 1 0 702.790 7.416 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095571486 562769034 /nfs/dbraw/zinc/76/90/34/562769034.db2.gz BACUFSHCHJQBQC-ITEXHPTBSA-N 1 0 652.877 6.647 1 0 KKAFRO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CN(c4nccs4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095571812 562769242 /nfs/dbraw/zinc/76/92/42/562769242.db2.gz HZDBHXACFJDRIT-RXFWQSSRSA-N 1 0 530.691 5.064 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(NCc3ccccc3)nc2)nn1 ZINC000095572111 562769353 /nfs/dbraw/zinc/76/93/53/562769353.db2.gz JRJBXDYPYRFVHH-UHFFFAOYSA-N 1 0 641.702 5.663 1 0 KKAFRO COCC(=O)N[C@@H](Cc1cccc(-c2nc(C)cs2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572759 562769528 /nfs/dbraw/zinc/76/95/28/562769528.db2.gz IBQBCHBBSWVJOQ-HZFUHODCSA-N 1 0 592.806 5.173 1 0 KKAFRO O=C([O-])[C@H](Cc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095573718 562769744 /nfs/dbraw/zinc/76/97/44/562769744.db2.gz MANRLQSCJCTMOZ-VWLOTQADSA-N 1 0 509.449 5.384 1 0 KKAFRO CC(C)(C)[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095575261 562770256 /nfs/dbraw/zinc/77/02/56/562770256.db2.gz AZBTWACSPBCZKC-BWDSRVSCSA-N 1 0 517.073 6.027 1 0 KKAFRO O=C(CCC(=O)Nc1nc2c(s1)CCCC2)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095580110 562771754 /nfs/dbraw/zinc/77/17/54/562771754.db2.gz XBCFUURWGDJWHZ-UHFFFAOYSA-N 1 0 505.688 5.176 1 0 KKAFRO COCCCOc1cc(CN(C[C@H]2C[NH2+]C[C@@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000095581316 562772146 /nfs/dbraw/zinc/77/21/46/562772146.db2.gz WKIAMHCWMIABDD-IZZNHLLZSA-N 1 0 509.090 5.849 1 0 KKAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)nn1-c1cc(Cl)cc(Cl)c1 ZINC000095584752 562773332 /nfs/dbraw/zinc/77/33/32/562773332.db2.gz MRCUCEGVMJDBQN-KYJUHHDHSA-N 1 0 791.568 6.191 1 0 KKAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCCCC[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000095586483 562773981 /nfs/dbraw/zinc/77/39/81/562773981.db2.gz JBHCVRFFLNUTIW-XMMPIXPASA-N 1 0 578.493 5.110 1 0 KKAFRO CC(C)c1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000095587270 562774237 /nfs/dbraw/zinc/77/42/37/562774237.db2.gz NFKNHAHXAMZIFN-XIFFEERXSA-N 1 0 654.860 5.296 1 0 KKAFRO Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587553 562774336 /nfs/dbraw/zinc/77/43/36/562774336.db2.gz XHZBLSBIPISEOU-UHFFFAOYSA-N 1 0 608.805 10.513 1 0 KKAFRO C[N@@H+]1CC(c2ccc(N3CCCCC3)cc2)C2(Cc3ccccc3C2=O)C12c1cccc3cccc(c13)C2=O ZINC000095587662 562774391 /nfs/dbraw/zinc/77/43/91/562774391.db2.gz JHYNRHPRTDENDW-DCCHFUKUSA-N 1 0 512.653 6.376 1 0 KKAFRO CC[NH+]1CCN(Cc2nnc(Cn3c4c(c(=O)nc3SCc3ccc(F)cc3)CCC4)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000095587816 562774439 /nfs/dbraw/zinc/77/44/39/562774439.db2.gz YBGILRHEFHLKRJ-UHFFFAOYSA-N 1 0 717.837 6.675 1 0 KKAFRO CCCCc1n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095589353 562774933 /nfs/dbraw/zinc/77/49/33/562774933.db2.gz ZEBWGSPRIDNBEF-UHFFFAOYSA-N 1 0 593.719 5.909 1 0 KKAFRO CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(CCc4ccccc4)c(N)[nH+]3)nn2)cc1 ZINC000095589856 562775067 /nfs/dbraw/zinc/77/50/67/562775067.db2.gz GBEMZOQBAYKFTO-UHFFFAOYSA-N 1 0 541.744 5.418 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095591400 562775620 /nfs/dbraw/zinc/77/56/20/562775620.db2.gz GQUAAJHEELJJGV-DGDULGEYSA-N 1 0 507.715 5.338 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095592528 562775938 /nfs/dbraw/zinc/77/59/38/562775938.db2.gz NJGRAUIMWPFJGV-SSJILJQQSA-N 1 0 507.715 5.338 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095592463 562775945 /nfs/dbraw/zinc/77/59/45/562775945.db2.gz YYGPGGFPRRXHSI-VTRXWXBFSA-N 1 0 521.742 5.728 1 0 KKAFRO O=C(N[C@H](C(=O)Nc1cc([C@@H](O)C[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095596525 562777007 /nfs/dbraw/zinc/77/70/07/562777007.db2.gz DZUXVCBPFLNAAX-PXLJZGITSA-N 1 0 613.714 6.347 1 0 KKAFRO COc1ccccc1-c1ccc(OCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095598679 562777448 /nfs/dbraw/zinc/77/74/48/562777448.db2.gz NCULAECUACJHRA-UHFFFAOYSA-N 1 0 507.674 6.779 3 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@H+](Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095598771 562777518 /nfs/dbraw/zinc/77/75/18/562777518.db2.gz GFBOARZMZBDAJD-OVMXQCPESA-N 1 0 573.738 5.286 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598846 562777558 /nfs/dbraw/zinc/77/75/58/562777558.db2.gz VEYXNSARLJIJRR-GHVZQYPWSA-N 1 0 684.800 7.277 1 0 KKAFRO COc1ccc(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 ZINC000095598789 562777581 /nfs/dbraw/zinc/77/75/81/562777581.db2.gz LFZLAWVTNRSJHJ-CCSCYZPPSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095598943 562777689 /nfs/dbraw/zinc/77/76/89/562777689.db2.gz DWBBIMOOPOSMMP-SGHJWQDXSA-N 1 0 617.549 6.058 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095599069 562777748 /nfs/dbraw/zinc/77/77/48/562777748.db2.gz ALYJUPPMRYPVCX-DOBRQBTGSA-N 1 0 673.855 5.086 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599110 562777770 /nfs/dbraw/zinc/77/77/70/562777770.db2.gz VEYXNSARLJIJRR-WYOWBBOASA-N 1 0 684.800 7.277 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599267 562777934 /nfs/dbraw/zinc/77/79/34/562777934.db2.gz KTOLAWMRFLMANX-RIKJNLPISA-N 1 0 683.812 6.814 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599488 562778106 /nfs/dbraw/zinc/77/81/06/562778106.db2.gz CMAOMNSLQLVSHG-PQDHALMWSA-N 1 0 636.715 5.730 1 0 KKAFRO 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 ZINC000095599530 562778120 /nfs/dbraw/zinc/77/81/20/562778120.db2.gz LZRMYYQDLQFCEK-LFSBMLFJSA-N 1 0 728.809 7.006 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095599562 562778162 /nfs/dbraw/zinc/77/81/62/562778162.db2.gz KTOLAWMRFLMANX-FOWIORFYSA-N 1 0 683.812 6.814 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095599988 562778529 /nfs/dbraw/zinc/77/85/29/562778529.db2.gz JUEHVKXRGUAEIX-MEEIBLSFSA-N 1 0 753.690 8.584 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600105 562778623 /nfs/dbraw/zinc/77/86/23/562778623.db2.gz RBOAJFBNHJWMOW-FBTROWELSA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600357 562778872 /nfs/dbraw/zinc/77/88/72/562778872.db2.gz AOVZEKKCHSEONH-BWLKTWDLSA-N 1 0 655.833 5.554 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600549 562779022 /nfs/dbraw/zinc/77/90/22/562779022.db2.gz UQRVVYXDOOLUAO-CZWSTMTISA-N 1 0 723.830 6.573 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600713 562779154 /nfs/dbraw/zinc/77/91/54/562779154.db2.gz ORCUQVZUTYUDHO-SEXOINJZSA-N 1 0 585.532 5.990 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095601310 562779559 /nfs/dbraw/zinc/77/95/59/562779559.db2.gz NLLHBBQRIGOQNO-SNCSJZQCSA-N 1 0 641.813 5.392 1 0 KKAFRO 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(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095601629 562779651 /nfs/dbraw/zinc/77/96/51/562779651.db2.gz WRYGCPSZOBAIIH-BUACAMDTSA-N 1 0 728.809 7.006 1 0 KKAFRO 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 ZINC000095601980 562779842 /nfs/dbraw/zinc/77/98/42/562779842.db2.gz ZBBNPLMVFVREHD-RIKJNLPISA-N 1 0 719.867 6.742 1 0 KKAFRO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(C[NH+]6CCCCC6)cc5)cc43)cc2Cl)c1 ZINC000095602498 562780110 /nfs/dbraw/zinc/78/01/10/562780110.db2.gz BIEGSRZCMNHTRD-UHFFFAOYSA-N 1 0 553.081 8.398 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095602778 562780238 /nfs/dbraw/zinc/78/02/38/562780238.db2.gz BWUBMXZZYOWTMV-DGIFUFQNSA-N 1 0 628.692 5.639 1 0 KKAFRO 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 ZINC000095603063 562780362 /nfs/dbraw/zinc/78/03/62/562780362.db2.gz UIKXZKCHSBRXDR-ZUDLYUOYSA-N 1 0 705.840 6.434 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603349 562780458 /nfs/dbraw/zinc/78/04/58/562780458.db2.gz ZKPAWGOFKUDAFA-FYZNHFMZSA-N 1 0 685.788 6.672 1 0 KKAFRO 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 ZINC000095604323 562781000 /nfs/dbraw/zinc/78/10/00/562781000.db2.gz XGMQKVJTWVADHD-BTHRYZMCSA-N 1 0 714.826 7.286 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604643 562781180 /nfs/dbraw/zinc/78/11/80/562781180.db2.gz BXFZIXJRVHHTCE-BWLKTWDLSA-N 1 0 678.336 6.448 1 0 KKAFRO 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(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095604852 562781243 /nfs/dbraw/zinc/78/12/43/562781243.db2.gz WRYGCPSZOBAIIH-LFSBMLFJSA-N 1 0 728.809 7.006 1 0 KKAFRO CCC[N@H+](C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095605151 562781388 /nfs/dbraw/zinc/78/13/88/562781388.db2.gz GBZUPZRZKNXASB-NULUGNBJSA-N 1 0 636.756 6.487 1 0 KKAFRO 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(C(F)(F)F)cc3)cc2C1=O ZINC000095605754 562781712 /nfs/dbraw/zinc/78/17/12/562781712.db2.gz JUEHVKXRGUAEIX-YIQPJHJLSA-N 1 0 753.690 8.584 1 0 KKAFRO COc1c(Br)cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000095606441 562782062 /nfs/dbraw/zinc/78/20/62/562782062.db2.gz LCMYTAQFJIXBCQ-WJOKGBTCSA-N 1 0 738.348 7.220 1 0 KKAFRO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606410 562782072 /nfs/dbraw/zinc/78/20/72/562782072.db2.gz MRFRACBBILXIMQ-JYIZODLMSA-N 1 0 632.865 7.206 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095608453 562783557 /nfs/dbraw/zinc/78/35/57/562783557.db2.gz JGBFILKSOSOQIX-SJARJILFSA-N 1 0 785.990 6.439 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608775 562783699 /nfs/dbraw/zinc/78/36/99/562783699.db2.gz PALXQBXYYREPMI-RWYGWLOXSA-N 1 0 773.935 6.396 1 0 KKAFRO O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095613169 562786120 /nfs/dbraw/zinc/78/61/20/562786120.db2.gz IVQYNYUJGITSAQ-BIJATKAYSA-N 1 0 757.854 6.044 1 0 KKAFRO Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@H]([NH3+])CO)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095614575 562786744 /nfs/dbraw/zinc/78/67/44/562786744.db2.gz PZAQSNXCLNHCHR-TZWQOCTPSA-N 1 0 764.974 9.217 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3cc4c(cc3OC)C(=O)N3CC(=C(F)F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(=C(F)F)CN1C2=O ZINC000095615010 562786987 /nfs/dbraw/zinc/78/69/87/562786987.db2.gz LKEXXJWCSOWFBU-UIOOFZCWSA-N 1 0 754.782 5.721 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670067 562788275 /nfs/dbraw/zinc/78/82/75/562788275.db2.gz UZVLCYSJIDJZJW-LITSAYRRSA-N 1 0 509.568 6.741 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095754189 562788917 /nfs/dbraw/zinc/78/89/17/562788917.db2.gz YDQHBDWJWTWAAY-KSWJDTNCSA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797944 562789191 /nfs/dbraw/zinc/78/91/91/562789191.db2.gz BGHRQJUTYMMBFS-TVUFSCHNSA-N 1 0 564.726 6.636 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833995 562789371 /nfs/dbraw/zinc/78/93/71/562789371.db2.gz HCIBUZGQUWCBJD-IPVFLDMMSA-N 1 0 564.752 5.281 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095854216 562789597 /nfs/dbraw/zinc/78/95/97/562789597.db2.gz BZQGFEPSUFQXHE-DSRMTXSPSA-N 1 0 648.225 6.160 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095855587 562789659 /nfs/dbraw/zinc/78/96/59/562789659.db2.gz RUOZLMFIBHXSJW-GTNJKRJXSA-N 1 0 584.639 5.702 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095867121 562789794 /nfs/dbraw/zinc/78/97/94/562789794.db2.gz FDAULICGQFNBRP-IEOSBIPESA-N 1 0 540.626 5.862 1 0 KKAFRO COc1cccc(C[N@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095869124 562789946 /nfs/dbraw/zinc/78/99/46/562789946.db2.gz DIYZUOHLOSFTTI-ULPIOCOXSA-N 1 0 555.719 5.344 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872122 562789966 /nfs/dbraw/zinc/78/99/66/562789966.db2.gz UQZBRCMHXQUDCW-UVMFRMCBSA-N 1 0 602.739 6.501 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869069 562789979 /nfs/dbraw/zinc/78/99/79/562789979.db2.gz GFQKDUOYURHVMT-IQLGONJTSA-N 1 0 543.683 5.474 1 0 KKAFRO CC(C)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)[C@H]1C ZINC000095872164 562790022 /nfs/dbraw/zinc/79/00/22/562790022.db2.gz DIHBGHFRRATSBS-KBMIEXCESA-N 1 0 507.034 5.119 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872175 562790028 /nfs/dbraw/zinc/79/00/28/562790028.db2.gz GWOTWXPUOHLDRB-RXFWQSSRSA-N 1 0 521.061 5.367 1 0 KKAFRO CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCC[NH+]5CCCC5)c4)nnc3c2)c1 ZINC000096167827 562790623 /nfs/dbraw/zinc/79/06/23/562790623.db2.gz UEAKKVBJRFGORE-UHFFFAOYSA-N 1 0 518.017 5.797 1 0 KKAFRO COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CC[NH+](CC(=O)N(C)C)CC4)cc3)nc12 ZINC000096169838 562790874 /nfs/dbraw/zinc/79/08/74/562790874.db2.gz GZWAVMOEACERMF-UHFFFAOYSA-N 1 0 552.601 5.435 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(C)c(OC)cc(C)c4Cl)c4nccnc34)nc2)CC1 ZINC000096173414 562791413 /nfs/dbraw/zinc/79/14/13/562791413.db2.gz PEUFIKJSIMEVCZ-UHFFFAOYSA-N 1 0 545.087 5.360 1 0 KKAFRO Fc1ccccc1N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096173997 562791587 /nfs/dbraw/zinc/79/15/87/562791587.db2.gz CAGKRJGVFHKFPN-UHFFFAOYSA-N 1 0 503.585 5.515 1 0 KKAFRO C#[N+]c1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174072 562791643 /nfs/dbraw/zinc/79/16/43/562791643.db2.gz QCILIJCSIGOYNO-UHFFFAOYSA-N 1 0 538.615 5.562 1 0 KKAFRO c1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174122 562791684 /nfs/dbraw/zinc/79/16/84/562791684.db2.gz PHHDDLBCGRGYOL-VWLOTQADSA-N 1 0 500.606 6.097 1 0 KKAFRO CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000096174215 562791798 /nfs/dbraw/zinc/79/17/98/562791798.db2.gz TZSSTUAUEZHDSJ-UBLBMGLWSA-N 1 0 573.635 5.063 1 0 KKAFRO COCC[N@@H+]1CC[C@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175759 562791988 /nfs/dbraw/zinc/79/19/88/562791988.db2.gz KEQFQZOUNFMJHA-QHCPKHFHSA-N 1 0 661.829 5.442 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(F)F)n2)c(OC(C)C)cc1C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000096177890 562792411 /nfs/dbraw/zinc/79/24/11/562792411.db2.gz NCSKMTZNHAGRSD-DEOSSOPVSA-N 1 0 663.191 6.167 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCC(=O)N5CCC5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177924 562792467 /nfs/dbraw/zinc/79/24/67/562792467.db2.gz WJHHYEBDSGQZME-UHFFFAOYSA-N 1 0 688.899 6.228 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)C3C[NH+](C)C3)CC1)C2 ZINC000096177898 562792493 /nfs/dbraw/zinc/79/24/93/562792493.db2.gz PKNIWALQPVKUCD-UHFFFAOYSA-N 1 0 696.274 5.095 1 0 KKAFRO C[C@H](C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269472 562792940 /nfs/dbraw/zinc/79/29/40/562792940.db2.gz IUSZGKKLIPPMOS-HKBQPEDESA-N 1 0 712.907 9.740 1 0 KKAFRO CC[NH+](CC)CCN(C)[C@H](C)c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269792 562793059 /nfs/dbraw/zinc/79/30/59/562793059.db2.gz HIUBDEQUJJHTKT-HHHXNRCGSA-N 1 0 747.907 7.872 1 0 KKAFRO C[C@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270062 562793162 /nfs/dbraw/zinc/79/31/62/562793162.db2.gz MKEUKPOLBUSZTI-DEOSSOPVSA-N 1 0 614.718 7.009 1 0 KKAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H]([NH2+]CCCCCCc2ccccc2)c2ccccc2)c1Cl ZINC000096271212 562793718 /nfs/dbraw/zinc/79/37/18/562793718.db2.gz UBJOTBARWOGPMC-MHZLTWQESA-N 1 0 534.535 7.700 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271284 562793768 /nfs/dbraw/zinc/79/37/68/562793768.db2.gz XIFDKURJIBPHLZ-UHFFFAOYSA-N 1 0 611.274 10.090 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271295 562793774 /nfs/dbraw/zinc/79/37/74/562793774.db2.gz XWGBBESHNNQHBU-UHFFFAOYSA-N 1 0 640.272 8.426 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271293 562793787 /nfs/dbraw/zinc/79/37/87/562793787.db2.gz XXELTVDCSCBVQQ-UHFFFAOYSA-N 1 0 626.245 8.036 1 0 KKAFRO O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCC[NH+]5CCCC5)cc4)cc32)cc1 ZINC000096272638 562794156 /nfs/dbraw/zinc/79/41/56/562794156.db2.gz KOTFMMXTZBRZSW-UHFFFAOYSA-N 1 0 562.674 6.663 1 0 KKAFRO CC(C)Oc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096272779 562794285 /nfs/dbraw/zinc/79/42/85/562794285.db2.gz PIBITIKJRIGPID-UHFFFAOYSA-N 1 0 642.270 5.803 1 0 KKAFRO C[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)c(F)cc(F)c1Cl ZINC000096273089 562794432 /nfs/dbraw/zinc/79/44/32/562794432.db2.gz DHPPBOUXQKKIGF-NSHDSACASA-N 1 0 508.356 5.923 1 0 KKAFRO CCc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(cc(N4CCCC4)c3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273401 562794477 /nfs/dbraw/zinc/79/44/77/562794477.db2.gz NNIPUJZFEKQESE-VDCPHJTRSA-N 1 0 624.826 5.085 1 0 KKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)NCc1ccc(-c2nc3ccccc3s2)cc1 ZINC000096273397 562794479 /nfs/dbraw/zinc/79/44/79/562794479.db2.gz NCTVXQPNIRKWOM-UHFFFAOYSA-N 1 0 534.729 7.679 1 0 KKAFRO CCC[C@]1(C)C[C@H]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 ZINC000096282256 562794667 /nfs/dbraw/zinc/79/46/67/562794667.db2.gz GGDJHNWKACMLOC-NVIJWRNBSA-N 1 0 516.673 5.634 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000096284296 562795086 /nfs/dbraw/zinc/79/50/86/562795086.db2.gz TWLBQXZSBMDTDB-QNIAMRLHSA-N 1 0 528.537 6.518 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@H+](C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284741 562795309 /nfs/dbraw/zinc/79/53/09/562795309.db2.gz AMWSJQSAVVUQOG-XIFFEERXSA-N 1 0 633.797 6.358 1 0 KKAFRO Nc1cc(C[NH+]2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)CC2)ccn1 ZINC000096285183 562795484 /nfs/dbraw/zinc/79/54/84/562795484.db2.gz PWJAOGFKLATTAX-UHFFFAOYSA-N 1 0 585.671 6.281 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 ZINC000096285373 562795584 /nfs/dbraw/zinc/79/55/84/562795584.db2.gz NKOHPZAPXOVEEK-LXFBAYGMSA-N 1 0 575.157 5.399 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285388 562795608 /nfs/dbraw/zinc/79/56/08/562795608.db2.gz RQYNLNIHIFFLTK-HFZDXXHNSA-N 1 0 572.219 6.198 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2F)CC1 ZINC000096285440 562795734 /nfs/dbraw/zinc/79/57/34/562795734.db2.gz KJRYGRVOCLJMQX-KMRXNPHXSA-N 1 0 550.723 5.017 1 0 KKAFRO C[NH+](C)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 ZINC000096285841 562795890 /nfs/dbraw/zinc/79/58/90/562795890.db2.gz KPLGROMQFNWKJK-QPJJXVBHSA-N 1 0 548.018 5.588 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302068 562796221 /nfs/dbraw/zinc/79/62/21/562796221.db2.gz MDTAKMHHAHITNR-FKCWAMBHSA-N 1 0 560.758 6.027 1 0 KKAFRO CCn1nc(Cc2cccnc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302084 562796253 /nfs/dbraw/zinc/79/62/53/562796253.db2.gz JJPCMURNTDRPSJ-QRLJAKNQSA-N 1 0 547.719 5.032 1 0 KKAFRO C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@@]4(C)CO)[NH+](C)C ZINC000096902437 562797385 /nfs/dbraw/zinc/79/73/85/562797385.db2.gz BGXQOXKJFCPHSX-NVOQNHNXSA-N 1 0 626.882 6.982 1 0 KKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096903820 562798059 /nfs/dbraw/zinc/79/80/59/562798059.db2.gz ZAQUBGUMVUMHEM-GTORSBDHSA-N 1 0 515.779 6.702 1 0 KKAFRO CCOC(=O)CCCn1c2c3cc(-c4ccc(C[NH+](C)C)cc4)ccc3oc2c(-c2ccccc2)nc1=O ZINC000096906328 562798769 /nfs/dbraw/zinc/79/87/69/562798769.db2.gz VSFIRNPDCSHCLV-UHFFFAOYSA-N 1 0 509.606 5.882 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908952 562799450 /nfs/dbraw/zinc/79/94/50/562799450.db2.gz GOKDNNXODJLJKD-UHFFFAOYSA-N 1 0 582.730 6.726 1 0 KKAFRO CCN(CC[NH+](C)C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909022 562799532 /nfs/dbraw/zinc/79/95/32/562799532.db2.gz NWIRRXZBFMFSBT-UHFFFAOYSA-N 1 0 719.853 6.921 1 0 KKAFRO O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CNCC[NH+]3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096909019 562799539 /nfs/dbraw/zinc/79/95/39/562799539.db2.gz NTMXVAABCDRDKF-UHFFFAOYSA-N 1 0 731.864 7.113 1 0 KKAFRO CC(C)[C@@H](C[N@@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000096909602 562799664 /nfs/dbraw/zinc/79/96/64/562799664.db2.gz VAIZZFRVMOSSFX-RBTNQOKQSA-N 1 0 508.062 5.803 1 0 KKAFRO C/C=C/[C@H]1C(C(=O)c2c(O)c(-c3ccc(OC(=O)CCC[NH3+])cc3)c[nH]c2=O)=CC(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910156 562799874 /nfs/dbraw/zinc/79/98/74/562799874.db2.gz USPPZYQAAIXHCH-VLOSUAEXSA-N 1 0 518.654 5.395 1 0 KKAFRO Cc1cc(C)cc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910123 562799896 /nfs/dbraw/zinc/79/98/96/562799896.db2.gz FMBDKMCAZJNAEI-QABMSTFYSA-N 1 0 501.671 5.766 1 0 KKAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000096921426 562801423 /nfs/dbraw/zinc/80/14/23/562801423.db2.gz KYKYGQALCGZAPI-KQIHHXPCSA-N 1 0 780.414 5.694 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(C)cc2)C1 ZINC000096923588 562802142 /nfs/dbraw/zinc/80/21/42/562802142.db2.gz JECVAPXLXCEDIY-LJAQVGFWSA-N 1 0 547.765 5.154 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1F ZINC000096927155 562802603 /nfs/dbraw/zinc/80/26/03/562802603.db2.gz XVGZZXBPUUJDHO-UHFFFAOYSA-N 1 0 684.812 9.452 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096932316 562803336 /nfs/dbraw/zinc/80/33/36/562803336.db2.gz RUUVFPINVYGROZ-UHFFFAOYSA-N 1 0 606.698 7.662 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096932304 562803352 /nfs/dbraw/zinc/80/33/52/562803352.db2.gz DJUMASKGAAJJIF-UHFFFAOYSA-N 1 0 625.676 7.278 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000096937792 562804322 /nfs/dbraw/zinc/80/43/22/562804322.db2.gz OYNMESIRAARXLI-ZOSUSCCZSA-N 1 0 605.461 7.965 1 0 KKAFRO CC1CC[NH+](CCOc2ccc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)cc2-c2ccccc2)CC1 ZINC000096937940 562804370 /nfs/dbraw/zinc/80/43/70/562804370.db2.gz CGRYHFGODJBLHH-UHFFFAOYSA-N 1 0 556.754 7.988 1 0 KKAFRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(CNC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938679 562804555 /nfs/dbraw/zinc/80/45/55/562804555.db2.gz NEKKYMCJXYGHCV-UHFFFAOYSA-N 1 0 537.660 5.519 1 0 KKAFRO N=C(Nc1cccc(COC[C@@H]2C[C@H](OCc3cccc(NC(=N)c4cccs4)c3)C[NH2+]2)c1)c1cccs1 ZINC000098208545 562806013 /nfs/dbraw/zinc/80/60/13/562806013.db2.gz GPVRORSBZUBDJB-DQEYMECFSA-N 1 0 545.734 6.148 1 0 in-vitro KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033927 562806212 /nfs/dbraw/zinc/80/62/12/562806212.db2.gz PEGVMPUQDVEUGG-PTBNBFCCSA-N 1 0 533.713 6.597 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000100675953 562807208 /nfs/dbraw/zinc/80/72/08/562807208.db2.gz BQSJCIXGGLTIQT-GDLZYMKVSA-N 1 0 501.542 8.705 1 0 KKAFRO CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2CCc2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000100715866 562807255 /nfs/dbraw/zinc/80/72/55/562807255.db2.gz CXFPZCWCMDELAK-HFTWOUSFSA-N 1 0 542.680 5.709 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 ZINC000101193465 562809800 /nfs/dbraw/zinc/80/98/00/562809800.db2.gz UGRIWINFSBETFP-KUMHGWDASA-N 1 0 527.757 6.445 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(Cc2ncco2)CC1 ZINC000101193457 562809818 /nfs/dbraw/zinc/80/98/18/562809818.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 1 0 509.698 6.125 1 0 KKAFRO COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CC[N@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193583 562809838 /nfs/dbraw/zinc/80/98/38/562809838.db2.gz PQQXVQHDJSFGPZ-ZXFZPVEDSA-N 1 0 592.784 6.771 1 0 KKAFRO COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[N@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193581 562809893 /nfs/dbraw/zinc/80/98/93/562809893.db2.gz PQQXVQHDJSFGPZ-OJMYRGQXSA-N 1 0 592.784 6.771 1 0 KKAFRO CC(C)N1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367543 562810435 /nfs/dbraw/zinc/81/04/35/562810435.db2.gz PAFOOYBINUNMGT-ZRZAMGCNSA-N 1 0 586.144 6.123 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000101446108 562810746 /nfs/dbraw/zinc/81/07/46/562810746.db2.gz AIEICGJWVNJQPK-UBRQYEGLSA-N 1 0 555.554 7.313 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccccc1C)c1ccccc1 ZINC000101463121 562810828 /nfs/dbraw/zinc/81/08/28/562810828.db2.gz DUYQIPZSCJDDKS-UQWUFBTJSA-N 1 0 500.691 6.315 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000101559903 562811280 /nfs/dbraw/zinc/81/12/80/562811280.db2.gz HEKQABCBYYCZHJ-INOCPDNRSA-N 1 0 524.661 5.481 1 0 KKAFRO CC[N@H+](CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)Cc1ccncc1 ZINC000101696207 562811808 /nfs/dbraw/zinc/81/18/08/562811808.db2.gz TVUDVRPJIVZRRB-UHFFFAOYSA-N 1 0 618.759 6.910 1 0 KKAFRO O=C(CC[NH2+]Cc1ccncc1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696356 562811812 /nfs/dbraw/zinc/81/18/12/562811812.db2.gz VUKASIDJUQSOAO-UHFFFAOYSA-N 1 0 590.705 6.178 1 0 KKAFRO CN(CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)CC[NH+](C)C ZINC000101696436 562811904 /nfs/dbraw/zinc/81/19/04/562811904.db2.gz ZHXSJYRQZRAUKV-UHFFFAOYSA-N 1 0 584.742 5.487 1 0 KKAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000101792981 562812115 /nfs/dbraw/zinc/81/21/15/562812115.db2.gz GGRRKTMSURXTIF-OUOZDZGXSA-N 1 0 596.772 5.944 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844981 562813414 /nfs/dbraw/zinc/81/34/14/562813414.db2.gz SBQOMISLKZTLHT-OUOZDZGXSA-N 1 0 512.742 6.509 1 0 KKAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103189408 562815599 /nfs/dbraw/zinc/81/55/99/562815599.db2.gz HYPKAOYIUDBAJD-JOCHJYFZSA-N 1 0 565.537 5.343 1 0 KKAFRO CC(C)(C)c1ccc(CCCCCCCCNC(Nc2ccc(Oc3ccccc3)cc2)=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103215944 562817063 /nfs/dbraw/zinc/81/70/63/562817063.db2.gz RXSMFPPGJAUPKF-UHFFFAOYSA-N 1 0 598.784 8.409 1 0 KKAFRO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CC[NH2+]CC3)[C@@H]12 ZINC000103224889 562817618 /nfs/dbraw/zinc/81/76/18/562817618.db2.gz GLPBNKPXUVMLGA-JORIVFIJSA-N 1 0 513.726 6.055 1 0 KKAFRO NC(=O)[C@]1(c2nc(F)ccc2F)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225824 562817748 /nfs/dbraw/zinc/81/77/48/562817748.db2.gz ABZVRDRWGKAJJI-YBCKSGLRSA-N 1 0 502.392 5.806 1 0 KKAFRO CC(C)(C)C[N@@H+]1CC[C@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226401 562817806 /nfs/dbraw/zinc/81/78/06/562817806.db2.gz ZRQYABBZGJNCMK-GDLZYMKVSA-N 1 0 538.614 7.371 1 0 KKAFRO C[C@H](C[NH+](C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229646 562818071 /nfs/dbraw/zinc/81/80/71/562818071.db2.gz VWZHXQMQXIFFGW-OAHLLOKOSA-N 1 0 562.001 5.567 1 0 KKAFRO NC(=O)C[C@]1(Cc2ccc(O)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229882 562818095 /nfs/dbraw/zinc/81/80/95/562818095.db2.gz UYDBENOANLFGKT-VPIZKCOQSA-N 1 0 509.477 6.520 1 0 KKAFRO Clc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230141 562818119 /nfs/dbraw/zinc/81/81/19/562818119.db2.gz WCDYIAVPTZFADG-OEJOPCPASA-N 1 0 536.915 8.046 1 0 KKAFRO NC(=O)[C@]1(c2ccc(Br)nc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103230657 562818243 /nfs/dbraw/zinc/81/82/43/562818243.db2.gz FYVJVUUDRBJPQT-JSCPRHNGSA-N 1 0 545.308 6.290 1 0 KKAFRO CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(C[NH+](C)C)c3)c(C(=O)c3ccccc3)s2)cc1 ZINC000103232892 562818371 /nfs/dbraw/zinc/81/83/71/562818371.db2.gz HMESUMWVSKICEE-UHFFFAOYSA-N 1 0 547.702 5.078 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233191 562818474 /nfs/dbraw/zinc/81/84/74/562818474.db2.gz FIRZNJXYNWMNLA-LGKQTMLJSA-N 1 0 611.658 8.569 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233995 562818505 /nfs/dbraw/zinc/81/85/05/562818505.db2.gz WWGGKYRBPACAIT-GRJQRVBMSA-N 1 0 546.759 7.167 1 0 KKAFRO COc1ccccc1N1CCN(Cc2ccc3c(c2)CO[C@@]3(CCC[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000103245925 562819805 /nfs/dbraw/zinc/81/98/05/562819805.db2.gz IIJNYIWCIATESA-HKBQPEDESA-N 1 0 503.662 5.272 1 0 KKAFRO O=[S@](CC[NH2+]CCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246699 562819934 /nfs/dbraw/zinc/81/99/34/562819934.db2.gz DNZVFEURSMOPDR-LJAQVGFWSA-N 1 0 535.345 6.272 1 0 KKAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2o1 ZINC000103249986 562820159 /nfs/dbraw/zinc/82/01/59/562820159.db2.gz UMUYJUJVGHEUEB-UHFFFAOYSA-N 1 0 547.541 5.531 1 0 KKAFRO CC(C)[NH+](C(C)C)[C@@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000103250868 562820288 /nfs/dbraw/zinc/82/02/88/562820288.db2.gz LCQBPNWAJFSCIT-JWQCQUIFSA-N 1 0 501.555 7.850 1 0 KKAFRO FC(F)(F)c1cc(COCC2(c3ccccc3)CCC([NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000103250829 562820298 /nfs/dbraw/zinc/82/02/98/562820298.db2.gz GLGZVOVECKGFLP-UHFFFAOYSA-N 1 0 501.511 6.454 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000103251931 562820406 /nfs/dbraw/zinc/82/04/06/562820406.db2.gz IVDBOZXZGIOCCA-UHFFFAOYSA-N 1 0 503.595 5.951 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000103253629 562820564 /nfs/dbraw/zinc/82/05/64/562820564.db2.gz IWDBZVDOUJFIND-SFHVURJKSA-N 1 0 531.032 5.187 1 0 KKAFRO COc1ccc2[nH]cc(CCC[NH+]3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1 ZINC000103253716 562820585 /nfs/dbraw/zinc/82/05/85/562820585.db2.gz HHLNSVYJOCGXBV-UHFFFAOYSA-N 1 0 509.492 5.603 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)cc2)cc1Cc1ccc(-c2ccccc2)cc1 ZINC000103256409 562820842 /nfs/dbraw/zinc/82/08/42/562820842.db2.gz RRXDCXQLRNXVER-UHFFFAOYSA-N 1 0 509.646 6.494 1 0 KKAFRO CCC[N@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000103257512 562820912 /nfs/dbraw/zinc/82/09/12/562820912.db2.gz JPLQAIOVMZDOCZ-UHFFFAOYSA-N 1 0 540.729 6.741 1 0 KKAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)c(Cc3ccc4ccccc4c3)c2)cc1Cc1ccc2ccccc2c1 ZINC000103257571 562820919 /nfs/dbraw/zinc/82/09/19/562820919.db2.gz HFDIMBRAMKMKHF-UHFFFAOYSA-N 1 0 623.793 8.724 1 0 KKAFRO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000103259448 562821102 /nfs/dbraw/zinc/82/11/02/562821102.db2.gz TXQHATBHMPRSQO-QBHLCAJUSA-N 1 0 563.702 5.672 1 0 KKAFRO CC(C)(C)CC[N@@H+]1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000103261481 562821357 /nfs/dbraw/zinc/82/13/57/562821357.db2.gz RPZBTBIEZRHXHF-HHHXNRCGSA-N 1 0 518.624 5.099 1 0 KKAFRO O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000103261418 562821385 /nfs/dbraw/zinc/82/13/85/562821385.db2.gz WTTKQUQXVFJNQC-NDEPHWFRSA-N 1 0 612.615 5.650 1 0 KKAFRO O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000103261416 562821404 /nfs/dbraw/zinc/82/14/04/562821404.db2.gz WTTKQUQXVFJNQC-MUUNZHRXSA-N 1 0 612.615 5.650 1 0 KKAFRO Cc1ccc(C[NH+]2CCCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261539 562821422 /nfs/dbraw/zinc/82/14/22/562821422.db2.gz VWCCWYOGHKBNCB-UHFFFAOYSA-N 1 0 520.641 5.420 1 0 KKAFRO O=C(Nc1ccc(-n2nccn2)nc1)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263319 562821712 /nfs/dbraw/zinc/82/17/12/562821712.db2.gz GXAOUAHPLCWUNS-UHFFFAOYSA-N 1 0 530.032 5.238 1 0 KKAFRO Cc1ccc(CN(CC[NH2+]C(C)C)C(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265817 562822141 /nfs/dbraw/zinc/82/21/41/562822141.db2.gz MGCNTUJWIOZUOH-UHFFFAOYSA-N 1 0 634.747 7.863 1 0 KKAFRO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@@H+](C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1 ZINC000103266237 562822275 /nfs/dbraw/zinc/82/22/75/562822275.db2.gz JVDPAJJJSDTVEH-XLIONFOSSA-N 1 0 607.081 5.225 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103267519 562822443 /nfs/dbraw/zinc/82/24/43/562822443.db2.gz LOIGHBAETXRJFT-UHFFFAOYSA-N 1 0 561.608 7.251 1 0 KKAFRO O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCCCCN3CCOCC3)c(O)c12 ZINC000103271020 562822991 /nfs/dbraw/zinc/82/29/91/562822991.db2.gz KUOCIJRZZSPKEY-UHFFFAOYSA-N 1 0 501.579 5.236 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1ncccn1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283354 562823690 /nfs/dbraw/zinc/82/36/90/562823690.db2.gz IFBVQKSJPHIBDN-XPGKHFPBSA-N 1 0 569.931 5.383 1 0 KKAFRO CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000103285847 562823774 /nfs/dbraw/zinc/82/37/74/562823774.db2.gz SCCUHZSPGVMPAY-UHFFFAOYSA-N 1 0 528.678 5.719 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(F)c1O ZINC000114035002 562826980 /nfs/dbraw/zinc/82/69/80/562826980.db2.gz RIECTTVLASNINJ-UHFFFAOYSA-N 1 0 503.618 5.660 1 0 KKAFRO CO[C@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037378 562827124 /nfs/dbraw/zinc/82/71/24/562827124.db2.gz UCTVEWRBYCEHHU-HRTMPFAESA-N 1 0 554.518 6.951 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CC[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000114037948 562827258 /nfs/dbraw/zinc/82/72/58/562827258.db2.gz HFTUIMLWYJSWFN-UHFFFAOYSA-N 1 0 516.041 6.710 1 0 KKAFRO CCOc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000114039046 562827318 /nfs/dbraw/zinc/82/73/18/562827318.db2.gz WMUYOVIGRMDEOX-UHFFFAOYSA-N 1 0 508.062 6.030 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000114097624 562827586 /nfs/dbraw/zinc/82/75/86/562827586.db2.gz QOENLXNDSPOHSK-OAQYLSRUSA-N 1 0 525.011 6.027 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000114100318 562827707 /nfs/dbraw/zinc/82/77/07/562827707.db2.gz YPCHAJDITZHKOA-AREMUKBSSA-N 1 0 524.149 5.944 1 0 KKAFRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114099875 562827716 /nfs/dbraw/zinc/82/77/16/562827716.db2.gz JAIDXTUIPAUCID-JOCHJYFZSA-N 1 0 519.057 5.546 1 0 KKAFRO CC1(C)c2[nH]nc(NC(=O)c3cccc(Oc4ccccc4)c3)c2CN1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000114181237 562827825 /nfs/dbraw/zinc/82/78/25/562827825.db2.gz QFLJEWDUPUCDJK-SVBPBHIXSA-N 1 0 590.728 6.016 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978908 562828565 /nfs/dbraw/zinc/82/85/65/562828565.db2.gz JNHNPCGNAQZXRG-IGYGKHONSA-N 1 0 624.203 5.358 1 0 KKAFRO CC[NH+](CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nn2)CC1 ZINC000117686883 562829802 /nfs/dbraw/zinc/82/98/02/562829802.db2.gz BUBOLKXENPJKNX-UHFFFAOYSA-N 1 0 503.630 5.078 1 0 KKAFRO CC1(C)CCC(n2c3nc(Nc4ccc(N5CCC([NH+]6CCCC6)CC5)cn4)ncc3c3cc[nH]c(=O)c32)CC1 ZINC000117685850 562829818 /nfs/dbraw/zinc/82/98/18/562829818.db2.gz MOEPQOKPXOVFSO-UHFFFAOYSA-N 1 0 540.716 6.030 1 0 KKAFRO CC(C)n1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C(C)C)CC4)ccn32)n1 ZINC000117894745 562830025 /nfs/dbraw/zinc/83/00/25/562830025.db2.gz ZNDRBXGELSYPCL-UHFFFAOYSA-N 1 0 609.779 5.044 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000118386044 562830271 /nfs/dbraw/zinc/83/02/71/562830271.db2.gz SIWSWPNFRJLOFG-UHFFFAOYSA-N 1 0 626.559 5.498 1 0 KKAFRO Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000118604872 562830432 /nfs/dbraw/zinc/83/04/32/562830432.db2.gz UZICUOYVCKOCLZ-QHCPKHFHSA-N 1 0 611.713 5.245 1 0 KKAFRO CNC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118792267 562830607 /nfs/dbraw/zinc/83/06/07/562830607.db2.gz OBJVMDJHVUAQEF-IWNCIYCBSA-N 1 0 576.137 6.086 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793940 562830632 /nfs/dbraw/zinc/83/06/32/562830632.db2.gz CQVINMJHLMFOCD-CQEVQQNYSA-N 1 0 618.218 7.114 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797932 562830694 /nfs/dbraw/zinc/83/06/94/562830694.db2.gz WKPFGADMDMLPOJ-MELYXTHRSA-N 1 0 604.191 6.866 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[NH2+]Cc5ccccc5)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000118921500 562831021 /nfs/dbraw/zinc/83/10/21/562831021.db2.gz GCGGBOVKXMIELK-ZTEQKXOESA-N 1 0 537.785 6.935 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[N@@H+]3CC[C@@H]4c5ccccc5C[C@@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000138512215 562831962 /nfs/dbraw/zinc/83/19/62/562831962.db2.gz UZTAOZVXKCECDZ-RYKAKMPNSA-N 1 0 611.566 6.191 1 0 KKAFRO CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4cccc(OCC[NH+]5CCCCC5)c4)c32)C1=O ZINC000138499969 562831991 /nfs/dbraw/zinc/83/19/91/562831991.db2.gz YJZVDUMLAPUIJG-UHFFFAOYSA-N 1 0 545.690 5.594 1 0 KKAFRO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nc6cc(F)ccc6[nH]5)CC4)cc3)nc3ccccc3n2c1 ZINC000138587310 562832067 /nfs/dbraw/zinc/83/20/67/562832067.db2.gz NTXWGNIJHGIYNA-UHFFFAOYSA-N 1 0 547.634 6.726 1 0 KKAFRO O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC000139423956 562832490 /nfs/dbraw/zinc/83/24/90/562832490.db2.gz LTPOACJAKSJFPB-UHFFFAOYSA-N 1 0 506.484 5.935 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000139584440 562832655 /nfs/dbraw/zinc/83/26/55/562832655.db2.gz AAXSMTSTCQSEEA-RWYMZRDWSA-N 1 0 577.681 5.499 1 0 KKAFRO CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCC[NH2+]2)s1 ZINC000140186972 562832901 /nfs/dbraw/zinc/83/29/01/562832901.db2.gz CCWSSJHBNUNFAA-RTWJJDDRSA-N 1 0 525.637 5.307 1 0 KKAFRO CC[NH+](CC)Cc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000140370940 562833022 /nfs/dbraw/zinc/83/30/22/562833022.db2.gz FMEMNWKGLCXAJV-YUMHPJSZSA-N 1 0 514.641 7.547 1 0 KKAFRO Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3cccc4cc(C(=O)OCC[NH+](C)C)sc43)ncc1CC2 ZINC000141179891 562833491 /nfs/dbraw/zinc/83/34/91/562833491.db2.gz CFSOJMAWPXNFPQ-UHFFFAOYSA-N 1 0 538.677 5.243 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/C[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141405080 562833591 /nfs/dbraw/zinc/83/35/91/562833591.db2.gz CSQMNCNSZXFMCT-FNORWQNLSA-N 1 0 575.595 5.918 1 0 KKAFRO CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCC[NH2+]2)s1 ZINC000141429269 562833611 /nfs/dbraw/zinc/83/36/11/562833611.db2.gz CCWSSJHBNUNFAA-LYCCBFRSSA-N 1 0 525.637 5.307 1 0 KKAFRO CSc1cccc(NC(=O)N2CCC([C@H]([NH2+]C3CCC(c4c[nH]c5ccccc54)CC3)C(N)=O)CC2)c1 ZINC000141545040 562833612 /nfs/dbraw/zinc/83/36/12/562833612.db2.gz KKHMMOUUEMDAOY-GASOQUEOSA-N 1 0 519.715 5.304 1 0 KKAFRO NC1=[NH+][C@@]2(c3nccn31)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(N3CCC(F)(F)CC3)cc12 ZINC000141900569 562833807 /nfs/dbraw/zinc/83/38/07/562833807.db2.gz QCJMUUJSGJAWBM-MHZLTWQESA-N 1 0 520.490 5.033 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2ncc(-c3ccccc3)n2C)c1 ZINC000142096272 562833933 /nfs/dbraw/zinc/83/39/33/562833933.db2.gz FHWXIPBEHALDHZ-HHHXNRCGSA-N 1 0 501.606 5.898 1 0 KKAFRO CC(C)n1c(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000142239105 562834044 /nfs/dbraw/zinc/83/40/44/562834044.db2.gz OAZZXYMTTQCAGN-UHFFFAOYSA-N 1 0 629.144 7.083 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280662 562834111 /nfs/dbraw/zinc/83/41/11/562834111.db2.gz DPRHDWBFUWCIKZ-UGKGYDQZSA-N 1 0 511.496 5.012 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3)cn2C)c1 ZINC000142812291 562834374 /nfs/dbraw/zinc/83/43/74/562834374.db2.gz VLUAWJZKVDKCMV-HHHXNRCGSA-N 1 0 501.606 5.898 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000143036011 562834480 /nfs/dbraw/zinc/83/44/80/562834480.db2.gz ZCNDMVLBPVBGRY-UHFFFAOYSA-N 1 0 511.633 6.090 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)c(-c3ccccc3)c(C)n2n1 ZINC000143027711 562834503 /nfs/dbraw/zinc/83/45/03/562834503.db2.gz YBOIHMJITDDGEX-UHFFFAOYSA-N 1 0 527.636 5.163 1 0 KKAFRO CCOc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143081283 562834527 /nfs/dbraw/zinc/83/45/27/562834527.db2.gz ZMTSONYKCUGIOX-UHFFFAOYSA-N 1 0 607.759 5.158 1 0 KKAFRO COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccc(OCC[NH+]5CCCC5)cc4OC)nc2-3)c(Cl)c1 ZINC000143048355 562834536 /nfs/dbraw/zinc/83/45/36/562834536.db2.gz OUZRXTYHUJARPR-UHFFFAOYSA-N 1 0 561.086 5.532 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1c(Cl)cccc1Cl)CC2 ZINC000143099636 562834635 /nfs/dbraw/zinc/83/46/35/562834635.db2.gz FBBXUAZLPSQQNS-UHFFFAOYSA-N 1 0 606.558 5.450 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(Cl)c3)CC4)c(OC)c2)CC1 ZINC000143111131 562834645 /nfs/dbraw/zinc/83/46/45/562834645.db2.gz DYBQWTPWJPAYIN-UHFFFAOYSA-N 1 0 544.103 5.114 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143340121 562834940 /nfs/dbraw/zinc/83/49/40/562834940.db2.gz XMZZJVAMXAIKCD-ZETCQYMHSA-N 1 0 559.926 5.509 1 0 KKAFRO CCCCC[NH2+][C@@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143367803 562834985 /nfs/dbraw/zinc/83/49/85/562834985.db2.gz DOPOFCFAXCHMPP-MNOVXSKESA-N 1 0 616.034 7.116 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745533 562835288 /nfs/dbraw/zinc/83/52/88/562835288.db2.gz CEVVHHOKZMIXGC-ZDCRTTOTSA-N 1 0 531.700 6.084 1 0 KKAFRO CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@@H](Nc1ccc3c(cc[nH+]c3N)c1)c1ccc(cc1)CCCC(=O)N2 ZINC000143890185 562835371 /nfs/dbraw/zinc/83/53/71/562835371.db2.gz ZOWREHOVFWKKPQ-LJAQVGFWSA-N 1 0 585.730 5.134 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288551 562836032 /nfs/dbraw/zinc/83/60/32/562836032.db2.gz LGSGFTMLNOAYCK-LJAQVGFWSA-N 1 0 504.634 6.578 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1 ZINC000144330703 562836123 /nfs/dbraw/zinc/83/61/23/562836123.db2.gz JEIXPJRASSVARG-UHFFFAOYSA-N 1 0 537.639 5.389 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NC2CCC(C)(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000145426455 562837050 /nfs/dbraw/zinc/83/70/50/562837050.db2.gz FXRIGYNVVHBRGS-WYSKKBERSA-N 1 0 576.540 5.693 1 0 KKAFRO CCCCCCSC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@@H]1CC ZINC000145715938 562837511 /nfs/dbraw/zinc/83/75/11/562837511.db2.gz KEPZPPNKHFGZPX-HVLAULJQSA-N 1 0 640.956 8.254 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000145766973 562837606 /nfs/dbraw/zinc/83/76/06/562837606.db2.gz VKUZMCHROLFMPL-NDEPHWFRSA-N 1 0 514.695 6.677 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)c3c2C(=O)C[C@H]3C)n1 ZINC000145958792 562837832 /nfs/dbraw/zinc/83/78/32/562837832.db2.gz PHAAEVVSCUDATH-CQSZACIVSA-N 1 0 622.019 6.346 1 0 KKAFRO Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000146183738 562838344 /nfs/dbraw/zinc/83/83/44/562838344.db2.gz VOURYMYVBGIOOG-UHFFFAOYSA-N 1 0 555.727 5.584 1 0 KKAFRO Cc1ccc(NC(=O)NC2CCCC2)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000146176627 562838349 /nfs/dbraw/zinc/83/83/49/562838349.db2.gz XLJBSQRVAHEFDW-UHFFFAOYSA-N 1 0 555.727 5.630 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000146433621 562838576 /nfs/dbraw/zinc/83/85/76/562838576.db2.gz BHKDMCGCJODKJK-MLBCHFTJSA-N 1 0 570.265 5.184 1 0 KKAFRO c1ccc(CNc2sc3ncnc(N4CCC(COCC[NH+]5CCCC5)CC4)c3c2-c2ccccc2)cc1 ZINC000146552530 562838693 /nfs/dbraw/zinc/83/86/93/562838693.db2.gz UIQBBSIGNRREGS-UHFFFAOYSA-N 1 0 527.738 6.299 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146833862 562838819 /nfs/dbraw/zinc/83/88/19/562838819.db2.gz KTPMQAQBFZCIRN-PMERELPUSA-N 1 0 509.654 5.759 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccn5)C5CCCC5)cc43)cc2)CC1 ZINC000146834064 562838827 /nfs/dbraw/zinc/83/88/27/562838827.db2.gz KTPMQAQBFZCIRN-SSEXGKCCSA-N 1 0 509.654 5.759 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148152448 562840384 /nfs/dbraw/zinc/84/03/84/562840384.db2.gz GYHYGHAOJFQYNQ-UHFFFAOYSA-N 1 0 629.691 6.353 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148163151 562840405 /nfs/dbraw/zinc/84/04/05/562840405.db2.gz QZWCPFTZFXMAHU-UHFFFAOYSA-N 1 0 616.648 6.295 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CC[NH+](C(C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148280462 562840846 /nfs/dbraw/zinc/84/08/46/562840846.db2.gz SUQMAIRKFUYSBH-UHFFFAOYSA-N 1 0 584.578 5.113 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C6CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148294509 562840890 /nfs/dbraw/zinc/84/08/90/562840890.db2.gz ITWKCMLDFMBLIU-UHFFFAOYSA-N 1 0 578.599 5.036 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148297564 562840912 /nfs/dbraw/zinc/84/09/12/562840912.db2.gz PAFXTPOYHJVSQN-NRFANRHFSA-N 1 0 611.648 5.289 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CCC[N@@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148307176 562840965 /nfs/dbraw/zinc/84/09/65/562840965.db2.gz QLMICPNJOSHYGU-QFIPXVFZSA-N 1 0 623.659 5.433 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[N@@H+]6CCCC[C@@H]6C5)nc43)c2)cc1C(F)(F)F ZINC000148349259 562841129 /nfs/dbraw/zinc/84/11/29/562841129.db2.gz NAWXPTJARHSCBL-OAQYLSRUSA-N 1 0 592.626 5.426 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([NH+]6CCCCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148349498 562841179 /nfs/dbraw/zinc/84/11/79/562841179.db2.gz PMDPNOJZYHIARC-UHFFFAOYSA-N 1 0 620.680 6.206 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2cncs2)n1 ZINC000148464735 562841392 /nfs/dbraw/zinc/84/13/92/562841392.db2.gz UHAAWRQHRLLPFP-UHFFFAOYSA-N 1 0 584.624 5.987 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000148604760 562841511 /nfs/dbraw/zinc/84/15/11/562841511.db2.gz OBQBEDFGLFICRM-QHCPKHFHSA-N 1 0 500.083 5.074 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148832436 562841860 /nfs/dbraw/zinc/84/18/60/562841860.db2.gz GMSJFDPNVXVEPB-DEOSSOPVSA-N 1 0 510.078 5.879 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000148872748 562841900 /nfs/dbraw/zinc/84/19/00/562841900.db2.gz MNZUQWHEVHRCQC-SANMLTNESA-N 1 0 510.078 5.422 1 0 KKAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1OP(C)(C)=O ZINC000149208367 562842486 /nfs/dbraw/zinc/84/24/86/562842486.db2.gz JUDXZPPDZZPKEK-LCNIEQOASA-N 1 0 532.503 5.577 1 0 KKAFRO O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC000150185420 562842942 /nfs/dbraw/zinc/84/29/42/562842942.db2.gz HIRGLWUBWALBPY-YXDMQEJXSA-N 1 0 538.658 5.718 1 0 KKAFRO Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@@H](c4ccncc4)N4CC([NH3+])C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150255289 562843048 /nfs/dbraw/zinc/84/30/48/562843048.db2.gz GRUZNBXOQLIPOX-SZAHLOSFSA-N 1 0 530.672 5.625 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Br)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538930 562844082 /nfs/dbraw/zinc/84/40/82/562844082.db2.gz DGOMTRBHBFEUNG-UHFFFAOYSA-N 1 0 859.335 7.578 1 0 KKAFRO COc1ccc(C(OC(=O)[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150549817 562844552 /nfs/dbraw/zinc/84/45/52/562844552.db2.gz NTQAMCUPIBQLDW-GEPJLXJFSA-N 1 0 701.857 7.626 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000150556212 562844748 /nfs/dbraw/zinc/84/47/48/562844748.db2.gz NQKJHRLGLXNOLL-JZTDQRQXSA-N 1 0 643.829 6.000 1 0 KKAFRO O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583506 562845672 /nfs/dbraw/zinc/84/56/72/562845672.db2.gz UFNLUDOAYKNDQW-QPQHGXMVSA-N 1 0 703.696 8.086 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584699 562845721 /nfs/dbraw/zinc/84/57/21/562845721.db2.gz NVFGXEZAWHBUBK-WNOXWKSXSA-N 1 0 757.877 5.958 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584693 562845723 /nfs/dbraw/zinc/84/57/23/562845723.db2.gz NVFGXEZAWHBUBK-GOJCVTOHSA-N 1 0 757.877 5.958 1 0 KKAFRO COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)[nH+]ccc3c2)c2ccc(F)c(OC)c2)c1 ZINC000150601777 562847272 /nfs/dbraw/zinc/84/72/72/562847272.db2.gz WSWLNCYNHPZNDC-POURPWNDSA-N 1 0 649.745 5.842 1 0 KKAFRO CC(C)c1nc(CN(C)C(=O)N[C@H](C[NH+](C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604115 562847538 /nfs/dbraw/zinc/84/75/38/562847538.db2.gz QFYWEWHEOQPTQQ-ZAPWPRAASA-N 1 0 719.978 5.840 1 0 KKAFRO Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150604881 562847690 /nfs/dbraw/zinc/84/76/90/562847690.db2.gz VDCODAIUOGXXGK-UHFFFAOYSA-N 1 0 658.769 8.105 1 0 KKAFRO C[NH+]1CCN(c2ccc(F)cc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606261 562847896 /nfs/dbraw/zinc/84/78/96/562847896.db2.gz URWOBHXKJKTXDM-FJQKOURKSA-N 1 0 664.892 5.428 1 0 KKAFRO CC(C)[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606293 562847937 /nfs/dbraw/zinc/84/79/37/562847937.db2.gz AVNPYHOCFYSARF-BNHMMOKISA-N 1 0 692.946 6.206 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150619244 562848849 /nfs/dbraw/zinc/84/88/49/562848849.db2.gz ZIMSQZUTUQQLNQ-CLEHTCQTSA-N 1 0 653.893 6.478 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1=O ZINC000164268517 562849555 /nfs/dbraw/zinc/84/95/55/562849555.db2.gz RACHNUQOYSBNIP-UHFFFAOYSA-N 1 0 641.813 6.021 1 0 KKAFRO Brc1c2nc(N3CCN(CC[NH+]4CCCCC4)CC3)[nH]c2c(Br)c(Br)c1Br ZINC000164729899 562849671 /nfs/dbraw/zinc/84/96/71/562849671.db2.gz WUMRFXJLBTWDHC-UHFFFAOYSA-N 1 0 629.033 5.221 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(OC(=O)C(C)(C)[NH3+])CC2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000164795288 562849738 /nfs/dbraw/zinc/84/97/38/562849738.db2.gz CCBWZZYXLQJFDQ-HQDKQNMLSA-N 1 0 647.619 5.591 1 0 KKAFRO Cc1cccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)CC3)[nH]2)n1 ZINC000167131111 562850671 /nfs/dbraw/zinc/85/06/71/562850671.db2.gz ZEWLFDZVSRANOH-UHFFFAOYSA-N 1 0 585.691 6.343 1 0 KKAFRO Cc1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@@H+]4CCCOCC4)c3)CC2)n1 ZINC000168616708 562851479 /nfs/dbraw/zinc/85/14/79/562851479.db2.gz CBTXIBGWNHIYEA-ISILISOKSA-N 1 0 653.755 5.782 1 0 KKAFRO COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)[N@@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000169291175 562851856 /nfs/dbraw/zinc/85/18/56/562851856.db2.gz RWSZLMVCERHQGM-QLWXXVCSSA-N 1 0 506.646 6.019 1 0 KKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169294860 562852317 /nfs/dbraw/zinc/85/23/17/562852317.db2.gz ZSYUYCGOXXOFOB-CLJLJLNGSA-N 1 0 548.609 5.977 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000169299748 562852774 /nfs/dbraw/zinc/85/27/74/562852774.db2.gz KEKTVADTRWDTIX-KMYPOQQFSA-N 1 0 534.587 5.544 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302333 562853071 /nfs/dbraw/zinc/85/30/71/562853071.db2.gz LNHVFSACUBPBGF-HFDNLRPQSA-N 1 0 682.346 7.409 1 0 KKAFRO O=C([C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306844 562853645 /nfs/dbraw/zinc/85/36/45/562853645.db2.gz YHHSAOLWFULNPC-JHOUSYSJSA-N 1 0 553.121 6.956 1 0 KKAFRO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310152 562854667 /nfs/dbraw/zinc/85/46/67/562854667.db2.gz UWULGUFSFZJDEY-GQIGMWPISA-N 1 0 580.685 5.231 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312246 562855307 /nfs/dbraw/zinc/85/53/07/562855307.db2.gz CJPDGBBUNPXIKE-SMCANUKXSA-N 1 0 528.718 7.244 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312243 562855325 /nfs/dbraw/zinc/85/53/25/562855325.db2.gz JUYOUNCVTDPWBT-IOWSJCHKSA-N 1 0 512.650 6.775 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1C ZINC000169312774 562855420 /nfs/dbraw/zinc/85/54/20/562855420.db2.gz UCOBKGQBOGPYRC-UHFFFAOYSA-N 1 0 605.179 8.075 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(OC)cc3)cc2)nn1C ZINC000169312788 562855462 /nfs/dbraw/zinc/85/54/62/562855462.db2.gz ODBBTWRXKRXMQW-UHFFFAOYSA-N 1 0 600.760 7.430 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccccn3)cc2)nn1C ZINC000169312786 562855479 /nfs/dbraw/zinc/85/54/79/562855479.db2.gz UOVGHVMYINGCLQ-UHFFFAOYSA-N 1 0 571.722 6.816 1 0 KKAFRO OCCN1CC[NH+](CCCC/N=c2\cc(C34CC5CC(CC(C5)C3)C4)sc3ccc(Br)cc32)CC1 ZINC000169316889 562855846 /nfs/dbraw/zinc/85/58/46/562855846.db2.gz OKIXLIZKMSBJQC-GKPLWNPISA-N 1 0 558.630 5.422 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317791 562856064 /nfs/dbraw/zinc/85/60/64/562856064.db2.gz YWKQKXOEKQEVAI-RCZVLFRGSA-N 1 0 527.505 6.606 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(/C=C/S(=O)(=O)c4ccc(Br)cc4)cc32)c1C ZINC000169323170 562856941 /nfs/dbraw/zinc/85/69/41/562856941.db2.gz UHHOPTYENGBJGM-MOAJBTABSA-N 1 0 625.589 5.403 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(/C=C/S(=O)(=O)Cc4ccc(Cl)cc4)cc32)c1C ZINC000169323183 562856988 /nfs/dbraw/zinc/85/69/88/562856988.db2.gz ZTBJAZKPIDDGLA-WDCYCYNXSA-N 1 0 595.165 5.435 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324445 562857334 /nfs/dbraw/zinc/85/73/34/562857334.db2.gz PZQLXTFQBSNEQQ-UHFFFAOYSA-N 1 0 633.881 8.553 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000169324464 562857376 /nfs/dbraw/zinc/85/73/76/562857376.db2.gz QBOYYZIJOZHFMW-MHZLTWQESA-N 1 0 593.772 5.991 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325205 562857552 /nfs/dbraw/zinc/85/75/52/562857552.db2.gz DKUSVKBLJWMOFH-UHFFFAOYSA-N 1 0 520.721 7.876 1 0 KKAFRO [NH3+][C@@H]1Cc2cc(Br)c(c(Br)c2)Oc2cc(ccc2O)C[C@H]([NH3+])C(=O)NCCc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2[O-])CCNC1=O ZINC000169325363 562857601 /nfs/dbraw/zinc/85/76/01/562857601.db2.gz SYPOKFWXIHNJNU-IZZNHLLZSA-N 1 0 991.164 7.266 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCn1ccnc1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327034 562857990 /nfs/dbraw/zinc/85/79/90/562857990.db2.gz RZNLNFCKHCRFDR-UHFFFAOYSA-N 1 0 585.631 5.144 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCn1cnc2cc(C)c(C)cc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327049 562858047 /nfs/dbraw/zinc/85/80/47/562858047.db2.gz ROULIUKQCIWCET-UHFFFAOYSA-N 1 0 663.745 6.914 1 0 KKAFRO O=C(Nc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4cnc5ccccc5c4)C3)sc2c1)C1CCCC1 ZINC000169327474 562858116 /nfs/dbraw/zinc/85/81/16/562858116.db2.gz YHFHGFVMECQQIV-PKTZIBPZSA-N 1 0 527.694 6.260 1 0 KKAFRO O=C(CCC[NH+]1CCC(n2c3ccccc3nc2SC(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000169328756 562858405 /nfs/dbraw/zinc/85/84/05/562858405.db2.gz KPYZECUYMHGITN-UHFFFAOYSA-N 1 0 536.072 7.061 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C[C@@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000169329753 562858569 /nfs/dbraw/zinc/85/85/69/562858569.db2.gz NRQKOIIFRGQHPK-XDSPJLLDSA-N 1 0 627.867 6.098 1 0 KKAFRO Cc1cc(C)c2c(N)c(C(=O)NCCCCCC[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)sc2n1 ZINC000169331853 562859079 /nfs/dbraw/zinc/85/90/79/562859079.db2.gz GWZPCOVXCOPKJA-UHFFFAOYSA-N 1 0 515.123 5.423 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc21 ZINC000169333469 562859313 /nfs/dbraw/zinc/85/93/13/562859313.db2.gz XTHZYVJTABHHDV-GDLZYMKVSA-N 1 0 569.539 9.723 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc21 ZINC000169333815 562859348 /nfs/dbraw/zinc/85/93/48/562859348.db2.gz HANXFBLVRPWYCA-SSEXGKCCSA-N 1 0 527.149 8.068 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334051 562859435 /nfs/dbraw/zinc/85/94/35/562859435.db2.gz ARWQGXVGACZQBH-XMMPIXPASA-N 1 0 575.886 8.380 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334294 562859460 /nfs/dbraw/zinc/85/94/60/562859460.db2.gz JCAKUNXXBBAYBT-DEOSSOPVSA-N 1 0 541.441 7.727 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Oc2cccc(C(C)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334943 562859585 /nfs/dbraw/zinc/85/95/85/562859585.db2.gz JQIHHKWTUNXMDM-DEOSSOPVSA-N 1 0 525.467 8.381 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335749 562859689 /nfs/dbraw/zinc/85/96/89/562859689.db2.gz CYMRFTNYLXLDSL-HHHXNRCGSA-N 1 0 539.469 8.677 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335783 562859713 /nfs/dbraw/zinc/85/97/13/562859713.db2.gz LZKLTOAGROXWJR-HHHXNRCGSA-N 1 0 539.469 8.677 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000169335829 562859723 /nfs/dbraw/zinc/85/97/23/562859723.db2.gz MATNFYHKYBREMY-SANMLTNESA-N 1 0 536.516 6.654 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(/C=C/c2ccc(Cl)cc2)c1 ZINC000169335996 562859776 /nfs/dbraw/zinc/85/97/76/562859776.db2.gz PEJVOHQTIGFQSK-QXDHXCDMSA-N 1 0 523.548 8.665 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169336000 562859790 /nfs/dbraw/zinc/85/97/90/562859790.db2.gz USZXVIBFNVVPER-ATKXTZNESA-N 1 0 592.624 8.456 1 0 KKAFRO CN(C)c1ccc2c(c1)C(=O)N(CCCCCCOc1cccc3c1CCC[C@@H]3CCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000169337001 562859917 /nfs/dbraw/zinc/85/99/17/562859917.db2.gz HHJGRBDKYZTYNV-SSEXGKCCSA-N 1 0 628.902 7.138 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)C[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000169338021 562860196 /nfs/dbraw/zinc/86/01/96/562860196.db2.gz VYAUYFLQSXKPRH-VFNWGFHPSA-N 1 0 511.466 6.090 1 0 KKAFRO CCOC(=O)/C=C\C(=O)Nc1ccccc1CCC[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346322 562861760 /nfs/dbraw/zinc/86/17/60/562861760.db2.gz UHHMKYFIVVBCLB-UBXJQQJUSA-N 1 0 502.655 5.141 1 0 KKAFRO Cc1ccc(-c2ccc(Nc3ccccc3N3CC4(CC[NH+](CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)nc2)cc1 ZINC000169347478 562862002 /nfs/dbraw/zinc/86/20/02/562862002.db2.gz JJFMYGCJRSWNRN-UHFFFAOYSA-N 1 0 567.177 8.691 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348463 562862234 /nfs/dbraw/zinc/86/22/34/562862234.db2.gz QGLRWLNGMNSBGX-LHEWISCISA-N 1 0 699.896 6.984 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350406 562862788 /nfs/dbraw/zinc/86/27/88/562862788.db2.gz LWLZJKLPPDVLAK-UHFFFAOYSA-N 1 0 687.172 5.951 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(=O)cc2C)cc1F ZINC000169350407 562862799 /nfs/dbraw/zinc/86/27/99/562862799.db2.gz XKYWSOCHHVKGID-UHFFFAOYSA-N 1 0 688.707 5.576 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350716 562862903 /nfs/dbraw/zinc/86/29/03/562862903.db2.gz UBHHPJNVXBNFSL-UHFFFAOYSA-N 1 0 672.157 7.190 1 0 KKAFRO COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(c7cc[nH+]cc7)CC6)ccc5[nH]4)ccc3[nH]2)cc1OC ZINC000169352833 562863267 /nfs/dbraw/zinc/86/32/67/562863267.db2.gz ATVJCVBIWJSLCQ-UHFFFAOYSA-N 1 0 531.620 5.512 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H](CC3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353010 562863330 /nfs/dbraw/zinc/86/33/30/562863330.db2.gz HNXDRVRHYNDYLW-UMSFTDKQSA-N 1 0 617.797 8.778 1 0 KKAFRO CC(C)c1nc2ccccc2n1[C@H](COC(=O)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000169353293 562863457 /nfs/dbraw/zinc/86/34/57/562863457.db2.gz XESGAWFYPMBPAR-JGCGQSQUSA-N 1 0 610.828 6.620 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ccccc4n4ccc(-c5ccccc5)c34)cc2)CC1 ZINC000169607408 562864951 /nfs/dbraw/zinc/86/49/51/562864951.db2.gz FIEGHPHIBSNRCV-UHFFFAOYSA-N 1 0 549.678 7.302 1 0 KKAFRO Cc1c(C(=O)NCCC[NH+]2CCCC2)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CC(F)(F)F)c12 ZINC000169686766 562865143 /nfs/dbraw/zinc/86/51/43/562865143.db2.gz DVOIKXZPECRROY-OAHLLOKOSA-N 1 0 539.599 5.818 1 0 KKAFRO Brc1c2nc(N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)[nH]c2c(Br)c(Br)c1Br ZINC000169697593 562866462 /nfs/dbraw/zinc/86/64/62/562866462.db2.gz IKBPPBPUBQVNKU-CQSZACIVSA-N 1 0 692.092 6.047 1 0 KKAFRO CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698919 562867475 /nfs/dbraw/zinc/86/74/75/562867475.db2.gz OLZLZVWXPZUYLD-MVSFAKPFSA-N 1 0 556.122 6.339 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2ccncc2)n1 ZINC000169701651 562868114 /nfs/dbraw/zinc/86/81/14/562868114.db2.gz GMYQHOQOEQWZGN-GDLZYMKVSA-N 1 0 519.653 5.078 1 0 KKAFRO CC[C@@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(OCC[NH+]4CCCC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702176 562868241 /nfs/dbraw/zinc/86/82/41/562868241.db2.gz LPSQVIVROHUSMB-RUZDIDTESA-N 1 0 538.696 5.744 1 0 KKAFRO CC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@H]4C)c(OC)c2)CC1 ZINC000169702411 562868337 /nfs/dbraw/zinc/86/83/37/562868337.db2.gz NFISIFLEAMLXMW-LJQANCHMSA-N 1 0 586.140 5.823 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702408 562868351 /nfs/dbraw/zinc/86/83/51/562868351.db2.gz YHQUXHJGEOHTIC-FQEVSTJZSA-N 1 0 612.178 6.214 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(=[NH+]CC2CC2)N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704482 562868985 /nfs/dbraw/zinc/86/89/85/562868985.db2.gz QPCNRKKLNWEPMN-JOCHJYFZSA-N 1 0 525.493 6.084 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704492 562868998 /nfs/dbraw/zinc/86/89/98/562868998.db2.gz RXYDEYVIJXLWSI-SANMLTNESA-N 1 0 605.535 6.603 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704485 562869001 /nfs/dbraw/zinc/86/90/01/562869001.db2.gz LFBFWSLTEFNNIE-VWLOTQADSA-N 1 0 561.526 6.874 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000169704504 562869008 /nfs/dbraw/zinc/86/90/08/562869008.db2.gz JAEZKAXWKYTEMD-VWLOTQADSA-N 1 0 595.971 7.527 3 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705437 562869380 /nfs/dbraw/zinc/86/93/80/562869380.db2.gz MJVWLQDZDLHULW-JOCHJYFZSA-N 1 0 513.989 5.774 1 0 KKAFRO [NH3+]C1(c2ccc(-n3c4nc(-c5cccc(N6CCOCC6)c5)ccc4nc3-c3ccccn3)cc2)CCC1 ZINC000169705890 562869791 /nfs/dbraw/zinc/86/97/91/562869791.db2.gz LIWLKTOEQJPAAM-UHFFFAOYSA-N 1 0 502.622 5.324 1 0 KKAFRO [NH3+]C1(c2ccc(-n3c(-c4cccc(Cl)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705895 562869795 /nfs/dbraw/zinc/86/97/95/562869795.db2.gz IWQLBXFDIXJOJQ-UHFFFAOYSA-N 1 0 536.079 6.582 1 0 KKAFRO CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cc[nH+]c(NCC5CC5)c4F)C3)cc2)s1 ZINC000169709378 562870381 /nfs/dbraw/zinc/87/03/81/562870381.db2.gz DWTRTEZWPPJPEW-HTAPYJJXSA-N 1 0 566.703 5.305 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](CC(C)(C)O)CC3)cc2)c1 ZINC000169711603 562871062 /nfs/dbraw/zinc/87/10/62/562871062.db2.gz SNCPEMWHLQVKGE-UHFFFAOYSA-N 1 0 629.758 5.634 1 0 KKAFRO COc1cc(Nc2ncnc3ccc(-c4ccc(C[N@@H+]5C[C@H]6[C@H](CO)[C@H]6C5)cc4)cc32)ccc1Oc1ccccc1 ZINC000169741983 562871420 /nfs/dbraw/zinc/87/14/20/562871420.db2.gz WZZXMNBOPNKKSX-BKHFGAQXSA-N 1 0 544.655 6.511 1 0 KKAFRO CCOc1ccccc1-c1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000196616434 562872540 /nfs/dbraw/zinc/87/25/40/562872540.db2.gz RBJXGXOXVKHFAX-QMNXNGAPSA-N 1 0 561.682 5.880 1 0 KKAFRO CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000197909741 562872588 /nfs/dbraw/zinc/87/25/88/562872588.db2.gz WQWHNUQONYIRRP-ZRUUCOTKSA-N 1 0 641.897 5.986 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000197885231 562872609 /nfs/dbraw/zinc/87/26/09/562872609.db2.gz JTWIYPFIIKKSIS-XXIOWLSESA-N 1 0 645.491 6.526 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000203796967 562874122 /nfs/dbraw/zinc/87/41/22/562874122.db2.gz WKKSKJNWVQVTNS-IBGZPJMESA-N 1 0 518.017 5.538 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC([C@@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000203798112 562874126 /nfs/dbraw/zinc/87/41/26/562874126.db2.gz GOXWPHHXBRESDW-QGZVFWFLSA-N 1 0 508.062 6.029 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C5CC[NH2+]CC5)CC4)c3c2)cc(Cl)c1O ZINC000203989921 562874338 /nfs/dbraw/zinc/87/43/38/562874338.db2.gz NNCSPKZNJGSGMK-UHFFFAOYSA-N 1 0 520.073 6.078 1 0 KKAFRO CC[NH+](CC)[C@@H]1CCO[C@@H](c2c(-c3ccc4c(c3)OCCn3cc(-c5nc(C)nn5C(C)C)nc3-4)cnn2C)C1 ZINC000204430683 562874502 /nfs/dbraw/zinc/87/45/02/562874502.db2.gz JUCFCEMDRWPMSZ-AJTFRIOCSA-N 1 0 544.704 5.053 1 0 KKAFRO CC[NH+](CC)[C@H]1CCO[C@@H](c2c(-c3ccc4c(c3)OCCn3cc(-c5nc(C)nn5C(C)C)nc3-4)cnn2C)C1 ZINC000204430703 562874542 /nfs/dbraw/zinc/87/45/42/562874542.db2.gz JUCFCEMDRWPMSZ-WXVAWEFUSA-N 1 0 544.704 5.053 1 0 KKAFRO COc1ccc(C[NH3+])cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091642 562876213 /nfs/dbraw/zinc/87/62/13/562876213.db2.gz DLKYKILDEXFUBY-HHHXNRCGSA-N 1 0 566.489 5.527 1 0 KKAFRO CCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCC[NH+](C)C)C2=O ZINC000206145045 562876379 /nfs/dbraw/zinc/87/63/79/562876379.db2.gz ZYJZAJSSCZJWTL-SANMLTNESA-N 1 0 515.485 6.332 1 0 KKAFRO O=S(=O)(c1ccccc1)n1ccc2c1cccc2N1CC[NH+](CCCOc2ccc3ccoc3c2)CC1 ZINC000206275042 562876428 /nfs/dbraw/zinc/87/64/28/562876428.db2.gz VFHUXBVWZQEOJG-UHFFFAOYSA-N 1 0 515.635 5.216 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2ccc(CC(=O)O[C@H]3CCCOC3)cc2)c1 ZINC000206446860 562876460 /nfs/dbraw/zinc/87/64/60/562876460.db2.gz TYQKKLYDAKRHED-MHZLTWQESA-N 1 0 582.632 5.116 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000206719157 562876531 /nfs/dbraw/zinc/87/65/31/562876531.db2.gz LKQLYASAXRFPFM-AREMUKBSSA-N 1 0 585.745 7.953 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000219364903 562878134 /nfs/dbraw/zinc/87/81/34/562878134.db2.gz ORPGXVNRNICFAJ-HXUWFJFHSA-N 1 0 530.028 5.775 1 0 KKAFRO Cc1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1cc[nH+]cc1 ZINC000220160552 562878364 /nfs/dbraw/zinc/87/83/64/562878364.db2.gz JJLJHOVXFSLHBA-UHFFFAOYSA-N 1 0 600.804 7.500 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccncc2)C(C)C)C(C)C)ccc1OC ZINC000220154686 562878368 /nfs/dbraw/zinc/87/83/68/562878368.db2.gz IRTYZJRROTYDHX-ORYMTKCHSA-N 1 0 599.857 5.446 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000220413845 562878463 /nfs/dbraw/zinc/87/84/63/562878463.db2.gz ZKVZOTXXNBKCPI-UKILVPOCSA-N 1 0 541.677 5.447 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221084138 562878781 /nfs/dbraw/zinc/87/87/81/562878781.db2.gz SSHNWZWLAACLAH-MCBSJXHGSA-N 1 0 560.085 5.036 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000221495936 562879026 /nfs/dbraw/zinc/87/90/26/562879026.db2.gz SWDUUFOEGXYQAO-UHFFFAOYSA-N 1 0 571.062 5.175 1 0 KKAFRO CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1-2 ZINC000221683533 562879139 /nfs/dbraw/zinc/87/91/39/562879139.db2.gz ISNGGYJEKNJOEO-MRXNPFEDSA-N 1 0 546.757 6.949 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cnc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000221769416 562879243 /nfs/dbraw/zinc/87/92/43/562879243.db2.gz CCYXHQAWJPCJHE-JCMHNJIXSA-N 1 0 540.693 5.381 1 0 KKAFRO Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCC([NH3+])CC2)n1 ZINC000222003292 562879494 /nfs/dbraw/zinc/87/94/94/562879494.db2.gz VFXYUDAAKURMHR-UHFFFAOYSA-N 1 0 500.632 5.224 1 0 KKAFRO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000222894480 562879942 /nfs/dbraw/zinc/87/99/42/562879942.db2.gz LRHWVHHPVYFCIX-HHHXNRCGSA-N 1 0 592.666 6.093 1 0 KKAFRO C=CC(=O)Nc1cccc(-n2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3c(C)c(-c3ccccc3)c2=O)c1 ZINC000222981574 562880022 /nfs/dbraw/zinc/88/00/22/562880022.db2.gz NYVLCULBBGEPQX-UHFFFAOYSA-N 1 0 601.711 5.385 1 0 KKAFRO COC(=O)Nc1ccc2c(c1)N[C@H](C(F)(F)F)CCCC[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1cc-2ccn1 ZINC000230574449 562881135 /nfs/dbraw/zinc/88/11/35/562881135.db2.gz YTPPZSNWCBWWTL-SDFRFPNZSA-N 1 0 547.622 5.766 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)O[C@](C(=O)O[C@H](C)OC(=O)c1ccccc1)(C(=O)O[C@@H](C)OC(=O)c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000253633044 562882037 /nfs/dbraw/zinc/88/20/37/562882037.db2.gz HCQVPOVNXYRCSM-MPIKXOHYSA-N 1 0 718.155 5.554 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cc1-c1cccc(Cl)c1 ZINC000299823640 562882997 /nfs/dbraw/zinc/88/29/97/562882997.db2.gz RZEJRONKXWRWLC-UHFFFAOYSA-N 1 0 527.064 7.408 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1Cc2ccccc2C1 ZINC000299825995 562883714 /nfs/dbraw/zinc/88/37/14/562883714.db2.gz DLTFBTLNLNZCBH-UHFFFAOYSA-N 1 0 596.559 5.193 1 0 KKAFRO C[NH+](C)CCNC(=O)[C@H](Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NC(=O)c1ccccc1OCc1ccccc1 ZINC000299828068 562884358 /nfs/dbraw/zinc/88/43/58/562884358.db2.gz GUBQEQSMHAYLBR-PMERELPUSA-N 1 0 589.658 5.970 1 0 KKAFRO C[C@@H]1CC[C@]2(C(=O)NCCC[NH+](C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(Cl)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299829506 562884899 /nfs/dbraw/zinc/88/48/99/562884899.db2.gz VIACLFOQHAKYRS-XQTLXTFDSA-N 1 0 646.404 9.561 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(Cc5ccc(F)cc5)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299831368 562885513 /nfs/dbraw/zinc/88/55/13/562885513.db2.gz OEQBTCBROKYGDY-UHFFFAOYSA-N 1 0 634.756 6.162 1 0 KKAFRO C[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)N1C(=O)OC(C)(C)C ZINC000299833094 562886084 /nfs/dbraw/zinc/88/60/84/562886084.db2.gz HLSFNIKGKKTOIA-BNHRFMORSA-N 1 0 609.815 7.606 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nc3sccc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299833947 562886358 /nfs/dbraw/zinc/88/63/58/562886358.db2.gz ATYOWQCIQMMFMA-UHFFFAOYSA-N 1 0 632.712 7.309 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)c3ccccc32)cc1F ZINC000299837685 562887604 /nfs/dbraw/zinc/88/76/04/562887604.db2.gz KJWJJCWEJZUKJX-UHFFFAOYSA-N 1 0 705.762 7.766 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299838705 562887914 /nfs/dbraw/zinc/88/79/14/562887914.db2.gz NIRJIZSOOLMPKB-UHFFFAOYSA-N 1 0 688.760 6.143 1 0 KKAFRO CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299839605 562888256 /nfs/dbraw/zinc/88/82/56/562888256.db2.gz SQVWTVHVWIHOSU-UHFFFAOYSA-N 1 0 621.936 7.618 1 0 KKAFRO O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1[NH2+]C2(CCCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299840287 562888491 /nfs/dbraw/zinc/88/84/91/562888491.db2.gz UVWMOYGSAUBCGS-WPUIHRAISA-N 1 0 574.524 5.591 1 0 KKAFRO [NH3+][C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 ZINC000299841293 562888869 /nfs/dbraw/zinc/88/88/69/562888869.db2.gz ZADRUEBKBUVLOM-MEMLXQNLSA-N 1 0 542.647 6.786 1 0 KKAFRO CCOc1ccc(-c2nc(NC(=O)[C@H]([NH3+])COCc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851618 562890783 /nfs/dbraw/zinc/89/07/83/562890783.db2.gz HHQZBKHGGQWBCV-HSZRJFAPSA-N 1 0 563.676 5.384 1 0 KKAFRO O=C(Nc1c(F)cccc1Cl)c1cnc(Nc2ccc(C3CC[NH2+]CC3)cc2)nc1NC[C@H]1CCCO1 ZINC000299852601 562890925 /nfs/dbraw/zinc/89/09/25/562890925.db2.gz VCWAVCRQHIGHCN-HXUWFJFHSA-N 1 0 525.028 5.323 1 0 KKAFRO COc1ccc(OC)c2c1CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299855072 562891578 /nfs/dbraw/zinc/89/15/78/562891578.db2.gz AYCUFQQHIPKKPO-AAEPNQCFSA-N 1 0 530.631 6.079 1 0 KKAFRO COc1ccc(OC)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299855074 562891586 /nfs/dbraw/zinc/89/15/86/562891586.db2.gz AYCUFQQHIPKKPO-VTYUZOFQSA-N 1 0 530.631 6.079 1 0 KKAFRO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299856467 562891955 /nfs/dbraw/zinc/89/19/55/562891955.db2.gz IUGDEVWVTVOUSA-UHFFFAOYSA-N 1 0 543.042 5.972 1 0 KKAFRO CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)c12 ZINC000299856654 562891967 /nfs/dbraw/zinc/89/19/67/562891967.db2.gz DBAWVRYWKTVMEZ-SANMLTNESA-N 1 0 592.850 6.802 1 0 KKAFRO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299858114 562892388 /nfs/dbraw/zinc/89/23/88/562892388.db2.gz QOFOCQZPAZVZIS-UHFFFAOYSA-N 1 0 508.597 5.318 1 0 KKAFRO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299859472 562892738 /nfs/dbraw/zinc/89/27/38/562892738.db2.gz XTXUFBVLODXHFH-UHFFFAOYSA-N 1 0 526.587 5.457 1 0 KKAFRO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299859637 562892787 /nfs/dbraw/zinc/89/27/87/562892787.db2.gz YAXAFMUKBXAQTO-UHFFFAOYSA-N 1 0 569.503 5.942 1 0 KKAFRO CCOc1cncc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299860221 562892914 /nfs/dbraw/zinc/89/29/14/562892914.db2.gz IVOYYBFJNXIZQL-WNPNTJLQSA-N 1 0 591.718 7.523 1 0 KKAFRO Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CC[N@@H+](CCc3ccccc3C(F)(F)F)C[C@@H]1O2 ZINC000299860417 562892941 /nfs/dbraw/zinc/89/29/41/562892941.db2.gz JGYRRQGTAWMJLO-KYJUHHDHSA-N 1 0 509.612 7.161 1 0 KKAFRO COc1cc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 ZINC000299861854 562893411 /nfs/dbraw/zinc/89/34/11/562893411.db2.gz MADSOGIZPZGDBU-FRMCQSIZSA-N 1 0 595.681 7.272 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCC[NH2+]C34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299861912 562893464 /nfs/dbraw/zinc/89/34/64/562893464.db2.gz MDOCSDHCKMGQSG-KFJDVEHJSA-N 1 0 663.771 6.768 1 0 KKAFRO COc1ccc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 ZINC000299863012 562893747 /nfs/dbraw/zinc/89/37/47/562893747.db2.gz OKHWONPCPOWIAL-WNPNTJLQSA-N 1 0 576.703 7.738 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCC[NH+]3CCCC3)O5)ccc2OC)c1 ZINC000299863756 562893926 /nfs/dbraw/zinc/89/39/26/562893926.db2.gz PYMFLVBSZHIWDR-NDEPHWFRSA-N 1 0 583.641 5.305 1 0 KKAFRO O=C1[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)N(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc21 ZINC000299867866 562894964 /nfs/dbraw/zinc/89/49/64/562894964.db2.gz YYGFRZOBIIQIRV-KDXMTYKHSA-N 1 0 725.871 6.838 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CC[NH+]3CCCCC3)O5)ccc2OC)c1 ZINC000299868286 562895074 /nfs/dbraw/zinc/89/50/74/562895074.db2.gz ZPRMBYFIGYTTNA-MUUNZHRXSA-N 1 0 583.641 5.305 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OCc2cccc(-c3cccc(OC)c3)c2)C(C)C)ccc1OC ZINC000299869061 562895239 /nfs/dbraw/zinc/89/52/39/562895239.db2.gz TWXVJJRDRDVKPK-RYCFQHDISA-N 1 0 576.734 5.442 1 0 KKAFRO CCCOC(=O)c1cccc(C(=O)Nc2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000299870162 562895446 /nfs/dbraw/zinc/89/54/46/562895446.db2.gz VYHBFHRRIDDVDP-UHFFFAOYSA-N 1 0 526.568 5.418 1 0 KKAFRO CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848910 562896430 /nfs/dbraw/zinc/89/64/30/562896430.db2.gz BKXHBTLBLKFDRY-UHFFFAOYSA-N 1 0 502.622 5.782 1 0 KKAFRO COc1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848956 562896491 /nfs/dbraw/zinc/89/64/91/562896491.db2.gz GARJYFWIRRBMSQ-UHFFFAOYSA-N 1 0 530.624 6.116 1 0 KKAFRO O=c1sc2ccccc2n1CCCCCN1CC[NH+](CCCCCn2c3ccccc3sc2=O)CC1 ZINC000473082330 562896697 /nfs/dbraw/zinc/89/66/97/562896697.db2.gz HGMFEAOQSOXRCZ-UHFFFAOYSA-N 1 0 524.756 5.098 1 0 KKAFRO CC[C@@H]1C(=O)N(Cc2ccccc2)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473090002 562897464 /nfs/dbraw/zinc/89/74/64/562897464.db2.gz UIBUDYQWIUKWNI-MUUNZHRXSA-N 1 0 597.764 5.127 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCCn3cc(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl ZINC000473103972 562898158 /nfs/dbraw/zinc/89/81/58/562898158.db2.gz NJOGRMMAMLWHAA-UHFFFAOYSA-N 1 0 518.492 6.426 1 0 KKAFRO Cc1c(CNC(=O)c2ccc(-c3ccccc3)cc2)c2[n+](c(C)c1CNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 ZINC000473105973 562898234 /nfs/dbraw/zinc/89/82/34/562898234.db2.gz VMTXJEHHENEKBR-UHFFFAOYSA-O 1 0 566.725 6.731 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000473108242 562898384 /nfs/dbraw/zinc/89/83/84/562898384.db2.gz LKQLYASAXRFPFM-SANMLTNESA-N 1 0 585.745 7.953 1 0 KKAFRO COc1cc2oc(-c3ccc(OCCCC[N@H+](C)Cc4ccccc4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114666 562898928 /nfs/dbraw/zinc/89/89/28/562898928.db2.gz OJHNAGYEVNHLIC-UHFFFAOYSA-N 1 0 503.595 5.777 1 0 KKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CN5CCSCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000473114598 562898966 /nfs/dbraw/zinc/89/89/66/562898966.db2.gz NXLHFFVIHPAPLL-RORUDZPBSA-N 1 0 533.819 6.195 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136636 562901087 /nfs/dbraw/zinc/90/10/87/562901087.db2.gz TWRGSFQMYKPGBO-KQYNGZBLSA-N 1 0 536.701 6.780 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2c(F)cccc2F)C(C)C)C(C)C)ccc1OC ZINC000473144246 562901265 /nfs/dbraw/zinc/90/12/65/562901265.db2.gz AJNRXZMKKSHBPV-BAVAKQCBSA-N 1 0 634.849 6.329 1 0 KKAFRO COc1ccc(C(=O)OCC[NH+](C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)cc(C(F)(F)F)c1 ZINC000473145945 562901359 /nfs/dbraw/zinc/90/13/59/562901359.db2.gz BWSNTJGZTCFVEZ-UHFFFAOYSA-N 1 0 596.650 7.782 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccccc2F)C(C)C)C(C)C)ccc1OC ZINC000473148637 562901454 /nfs/dbraw/zinc/90/14/54/562901454.db2.gz GMYHJTFYMPMUHB-ATVIEFTBSA-N 1 0 616.859 6.190 1 0 KKAFRO COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3cc(C(=O)OCC[NH+](C)C)ccc3OC)c2)cn1 ZINC000473149674 562901560 /nfs/dbraw/zinc/90/15/60/562901560.db2.gz KALPMXWSLWGUIV-UHFFFAOYSA-N 1 0 548.518 5.027 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154886 562902309 /nfs/dbraw/zinc/90/23/09/562902309.db2.gz MGRHULYUJRQSQW-YTTGMZPUSA-N 1 0 531.697 5.267 1 0 KKAFRO COc1cc(OCCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)ccc1-c1nc2ccccc2o1 ZINC000473155226 562902382 /nfs/dbraw/zinc/90/23/82/562902382.db2.gz QLUKUUCJXHPADS-UHFFFAOYSA-N 1 0 501.558 6.432 1 0 KKAFRO COc1c(Cl)cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3n2)cc1Cl ZINC000473164856 562902838 /nfs/dbraw/zinc/90/28/38/562902838.db2.gz CGDDEGPFYXOSEN-SAABIXHNSA-N 1 0 501.458 5.769 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179743 562903469 /nfs/dbraw/zinc/90/34/69/562903469.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 1 0 538.088 5.321 1 0 KKAFRO CC(=O)c1c[nH+]c2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC000473183036 562903556 /nfs/dbraw/zinc/90/35/56/562903556.db2.gz KJDUYBFBDHLXHW-HMXCVIKNSA-N 1 0 541.523 5.851 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2c1nc(=Nc1ccc(OCC[NH+]3CCCC3)cc1)[nH][n+]2[O-] ZINC000473214430 562903975 /nfs/dbraw/zinc/90/39/75/562903975.db2.gz UVVHCPTXQOXZQE-UHFFFAOYSA-N 1 0 511.433 5.978 1 0 KKAFRO O=C([O-])CC[N@@H+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215474 562904030 /nfs/dbraw/zinc/90/40/30/562904030.db2.gz ONYFDBVBBAZJTM-JBFJIUAJSA-N 1 0 518.746 6.217 1 0 KKAFRO CCN(c1cc(-c2ccc(-c3nn[nH]n3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243792 562904703 /nfs/dbraw/zinc/90/47/03/562904703.db2.gz AUJFBLHEAXEECH-MCZWQBSQSA-N 1 0 582.753 5.189 1 0 KKAFRO CCN(c1cc(-c2ccc(S(C)(=O)=O)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244952 562904874 /nfs/dbraw/zinc/90/48/74/562904874.db2.gz QYIRNCOJQICVBB-MCZWQBSQSA-N 1 0 592.806 5.412 1 0 KKAFRO CCN(c1cc(-c2nccs2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244688 562904879 /nfs/dbraw/zinc/90/48/79/562904879.db2.gz PPERLWOHEZMXMZ-YHBQERECSA-N 1 0 521.731 5.465 1 0 KKAFRO CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474605979 562905364 /nfs/dbraw/zinc/90/53/64/562905364.db2.gz GVZZRHUNVMFTRT-UHFFFAOYSA-N 1 0 598.607 5.399 1 0 KKAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000653688523 562906578 /nfs/dbraw/zinc/90/65/78/562906578.db2.gz IBYFQHBVYWWLLA-UHFFFAOYSA-N 1 0 532.044 6.152 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653704189 562907666 /nfs/dbraw/zinc/90/76/66/562907666.db2.gz JUGMJOLTIQPRJM-GDLZYMKVSA-N 1 0 693.737 5.829 1 0 KKAFRO C[NH+](C)CC[C@@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714244 562908393 /nfs/dbraw/zinc/90/83/93/562908393.db2.gz GHGVFXRKINKBLR-MZRINYFPSA-N 1 0 638.606 7.625 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3cc(C)cc(C)c3)c2=O)cc1F ZINC000653723298 562908895 /nfs/dbraw/zinc/90/88/95/562908895.db2.gz QKXJWJOJACMFIC-UHFFFAOYSA-N 1 0 721.229 8.866 1 0 KKAFRO [NH3+][C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653729248 562909340 /nfs/dbraw/zinc/90/93/40/562909340.db2.gz QAMGHHNKEMMJPU-BCRBLDSWSA-N 1 0 658.843 5.555 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3c[nH]nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000653740703 562910192 /nfs/dbraw/zinc/91/01/92/562910192.db2.gz OHBUYGUYAHBVAP-UHFFFAOYSA-N 1 0 548.113 5.085 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)[C@@H](C)C(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000653745093 562910346 /nfs/dbraw/zinc/91/03/46/562910346.db2.gz AATYURAHVNWLEE-IBGZPJMESA-N 1 0 590.194 5.732 1 0 KKAFRO Cc1nc(N[C@H](C)c2cccc(-c3cnc(NCC[NH+](C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747927 562910506 /nfs/dbraw/zinc/91/05/06/562910506.db2.gz CQBVNWCZOHAILE-GOSISDBHSA-N 1 0 510.671 5.665 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccc(OC)cc4)cc32)c1C ZINC000653756229 562911002 /nfs/dbraw/zinc/91/10/02/562911002.db2.gz UDDCFVGYSAJCOJ-XHPQRKPJSA-N 1 0 552.679 5.057 1 0 KKAFRO O=C(NC1CC1)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653760811 562911271 /nfs/dbraw/zinc/91/12/71/562911271.db2.gz DSAGALBXAVZTHZ-UHFFFAOYSA-N 1 0 582.630 5.936 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccccc1Br ZINC000653794537 562912957 /nfs/dbraw/zinc/91/29/57/562912957.db2.gz UQYFKGXQPXDLQU-MPQUPPDSSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccccc1Br ZINC000653794539 562912959 /nfs/dbraw/zinc/91/29/59/562912959.db2.gz UQYFKGXQPXDLQU-ZPGRZCPFSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1ccc(-c2cn(-c3ccc(CN4CC[NH+](C)CC4)c(C(F)(F)F)c3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802018 562913450 /nfs/dbraw/zinc/91/34/50/562913450.db2.gz GWWBQHHZTOGIHP-UHFFFAOYSA-N 1 0 585.638 5.605 1 0 KKAFRO Clc1ccc(N2CC[NH+](CCCCNc3noc(-c4ccc(Br)cc4)n3)CC2)c(Cl)c1 ZINC000653808149 562913736 /nfs/dbraw/zinc/91/37/36/562913736.db2.gz YAYIMLBPJAGCJR-UHFFFAOYSA-N 1 0 525.278 5.820 1 0 KKAFRO COc1ccc(-c2cc3cc(OCCC[N@H+](C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)ccc3oc2=O)cc1 ZINC000653830185 562914527 /nfs/dbraw/zinc/91/45/27/562914527.db2.gz AKOGQQINMRSZAR-UHFFFAOYSA-N 1 0 634.773 7.871 1 0 KKAFRO C[C@H](Nc1nc(N)nc2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834977 562914674 /nfs/dbraw/zinc/91/46/74/562914674.db2.gz QTBWGIVMQAJFJW-ZDUSSCGKSA-N 1 0 500.409 5.619 1 0 KKAFRO O=c1c(=O)c(N[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)c1Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC000653842825 562914964 /nfs/dbraw/zinc/91/49/64/562914964.db2.gz GXZAZBLHGWAEJB-IXCJQBJRSA-N 1 0 545.683 6.914 1 0 KKAFRO CC[NH+]1CCN(c2ccc3c(c2)ncnc3Nc2cc(CCc3c(Cl)c(OC)cc(OC)c3Cl)[nH]n2)CC1 ZINC000653843512 562914986 /nfs/dbraw/zinc/91/49/86/562914986.db2.gz PTTBIZQLFMRTIQ-UHFFFAOYSA-N 1 0 556.498 5.348 1 0 KKAFRO CCn1c(C(=O)NCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000653845316 562915102 /nfs/dbraw/zinc/91/51/02/562915102.db2.gz DJDBKQOHEHVIHY-UHFFFAOYSA-N 1 0 511.751 5.988 1 0 KKAFRO C[NH+](C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2F)ccn1 ZINC000653850968 562915567 /nfs/dbraw/zinc/91/55/67/562915567.db2.gz FXUUAQVSJYOJIE-UHFFFAOYSA-N 1 0 513.936 5.270 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)ccn1 ZINC000653851931 562915576 /nfs/dbraw/zinc/91/55/76/562915576.db2.gz FWSLVCSJMMIQIS-UHFFFAOYSA-N 1 0 591.997 6.930 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(F)c(F)c3)nn2)cc1F ZINC000653857502 562915765 /nfs/dbraw/zinc/91/57/65/562915765.db2.gz LNUOFCQRQMKCCN-UHFFFAOYSA-N 1 0 647.658 5.302 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC(=O)N1CCC(Cc2ccccc2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653861673 562916015 /nfs/dbraw/zinc/91/60/15/562916015.db2.gz CBVSKNONHXAVHZ-UHFFFAOYSA-N 1 0 523.609 5.541 1 0 KKAFRO O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916667 /nfs/dbraw/zinc/91/66/67/562916667.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 1 0 523.615 5.519 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653886960 562917008 /nfs/dbraw/zinc/91/70/08/562917008.db2.gz AWAVDQIGOXNYFQ-UHFFFAOYSA-N 1 0 645.135 7.162 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(F)c(F)c3)nn2)cc1F ZINC000653916051 562917869 /nfs/dbraw/zinc/91/78/69/562917869.db2.gz VMUHZNRMFWNMPT-UHFFFAOYSA-N 1 0 646.670 6.787 1 0 KKAFRO 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\CCCC1CCCCC1 ZINC000085531914 565137188 /nfs/dbraw/zinc/13/71/88/565137188.db2.gz AQXIWKCMWCUGML-OJJYQREQSA-N 1 0 635.889 9.026 1 0 biogenic,in-vitro KKAFRO 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\CCCC1CCCCC1 ZINC000085531917 565137232 /nfs/dbraw/zinc/13/72/32/565137232.db2.gz IZGIFUFRYUFLPF-OJJYQREQSA-N 1 0 637.905 9.250 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592870 565148480 /nfs/dbraw/zinc/14/84/80/565148480.db2.gz MZORSKCJSNQVRN-BUUIHBBASA-N 1 0 671.787 5.672 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc2c(c3c1OCCC3)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592867 565148502 /nfs/dbraw/zinc/14/85/02/565148502.db2.gz YIZYKYPTLDZGAU-NRHPYWKTSA-N 1 0 697.825 5.988 1 0 biogenic,in-vitro KKAFRO C[NH2+]CC1=C[C@H]2CC3(CCCC3)CC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595791 565154090 /nfs/dbraw/zinc/15/40/90/565154090.db2.gz MEBRHEPQOKVIPG-DMEZBIKKSA-N 1 0 619.799 6.706 1 0 biogenic,in-vitro KKAFRO COc1cc(CCC(=O)CC(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@@H]2C[C@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085626948 565160297 /nfs/dbraw/zinc/16/02/97/565160297.db2.gz COAFKHRYGYSXGB-UYCGQIFOSA-N 1 0 603.719 6.370 1 0 biogenic,in-vitro KKAFRO COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@H+]5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648347 565169477 /nfs/dbraw/zinc/16/94/77/565169477.db2.gz RZBRPBCSMGQTOK-PCCSJGSPSA-N 1 0 637.817 8.073 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1C[C@H]1CCc2cccc(O)c2CC1 ZINC000150348583 565202088 /nfs/dbraw/zinc/20/20/88/565202088.db2.gz JBWYLFXVBFHYAZ-KYWMCVRISA-N 1 0 659.827 7.602 1 0 biogenic,in-vitro KKAFRO COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2C2=C1[C@@H]1C(C)=CC(C)(C)[NH2+][C@H]1C=C2 ZINC000028823363 581097680 /nfs/dbraw/zinc/09/76/80/581097680.db2.gz CZOFJQFQALBETE-JVYIUHIUSA-N 1 0 505.586 5.730 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3S(=O)(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823340 581100765 /nfs/dbraw/zinc/10/07/65/581100765.db2.gz JRCHKVVMHCOVBA-AGYBKZASSA-N 1 0 578.706 5.784 1 0 KKAFRO CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)CNC)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596840 291932014 /nfs/dbraw/zinc/93/20/14/291932014.db2.gz BTOYZRREKRBLCC-IHTKTJBKSA-N 1 0 548.765 5.153 1 0 biogenic,in-vitro KKAFRO CCC[C@@]1(C)CC[C@@H]([C@H](CO)COc2cc([C@@H]3COc4cc5c6c(c4[C@H]3O)CCc3c(OC)cc(OC[NH2+]CC)c(c3-6)[C@@H](O)N5)cc(OC)c2O)c2ccccc21 ZINC000085567388 291938252 /nfs/dbraw/zinc/93/82/52/291938252.db2.gz MOUICSVTBUCVOW-MKMZQZCVSA-N 1 0 780.959 7.370 1 0 biogenic,in-vitro KKAFRO CC[NH2+]C1(Oc2cc(OC)c3c(c2)-c2ccc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567592 291939809 /nfs/dbraw/zinc/93/98/09/291939809.db2.gz XMIYLLRJVSFODN-IEWVHIKDSA-N 1 0 575.702 6.042 1 0 biogenic,in-vitro KKAFRO CC[C@H](C)C[C@H]1[C@]23C=CCC[C@]2(C(C(=O)CCC[C@@H]2CCC[C@@H]4C=CC=C[C@H]42)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572893 291946352 /nfs/dbraw/zinc/94/63/52/291946352.db2.gz NMMQQKLEBMIWSQ-FQPBQJORSA-N 1 0 611.823 7.988 1 0 biogenic,in-vitro KKAFRO CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cc(O)cc(C[NH2+]C)c2)ccc(O)c1OC ZINC000085632126 291949431 /nfs/dbraw/zinc/94/94/31/291949431.db2.gz ZCOSJPPDLATKPK-HFVJNMDISA-N 1 0 799.985 7.243 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1cccc(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)[C@@H](CCO)C(=O)CC2)[C@@H](CCCCc2cccc(O)c2)c2cc[nH]c2C1 ZINC000085626894 291979388 /nfs/dbraw/zinc/97/93/88/291979388.db2.gz YVMKFZHWWWVRFU-IAKNFJPBSA-N 1 0 725.886 7.221 1 0 biogenic,in-vitro KKAFRO C[C@H](Nc1nccc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000001548320 561677445 /nfs/dbraw/zinc/67/74/45/561677445.db2.gz ZXONHXQWZPBOLO-SFHVURJKSA-N 1 0 504.560 6.260 1 0 KKAFRO COc1cc(C[NH2+][C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1 ZINC000001631529 561678047 /nfs/dbraw/zinc/67/80/47/561678047.db2.gz HFUAORNGBSYNJS-QHCPKHFHSA-N 1 0 523.651 5.256 1 0 KKAFRO Cn1cc(C(=S)NCC[NH+](C)CCNC(=S)c2cn(C)c3c2ccc2ccccc32)c2ccc3ccccc3c21 ZINC000001863089 561679973 /nfs/dbraw/zinc/67/99/73/561679973.db2.gz ZWGPMGUNYKQDAJ-UHFFFAOYSA-N 1 0 563.796 6.139 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(Nc2cc3[nH]c(=O)c(-c4c(Cl)cccc4Cl)cc3cn2)cc1 ZINC000003815551 561682905 /nfs/dbraw/zinc/68/29/05/561682905.db2.gz GVDMYBWNSNCDMN-UHFFFAOYSA-N 1 0 511.453 6.751 1 0 KKAFRO Nc1nc(N)c2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc2n1 ZINC000003917937 561685243 /nfs/dbraw/zinc/68/52/43/561685243.db2.gz MMAPPCKCHYYOBX-UHFFFAOYSA-N 1 0 542.647 5.003 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3cc4ccccc4nc3C(C)C)cc2)cc1OC ZINC000003922477 561685907 /nfs/dbraw/zinc/68/59/07/561685907.db2.gz BMVATFZXMWUVSA-UHFFFAOYSA-N 1 0 562.732 6.152 1 0 KKAFRO COc1ccccc1C(=O)N1CC[C@@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000003930920 561687496 /nfs/dbraw/zinc/68/74/96/561687496.db2.gz VMXIXFZELDQUJS-WJOKGBTCSA-N 1 0 580.556 5.695 1 0 KKAFRO COc1ccccc1CC(=O)N1CC[C@@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000003930924 561687507 /nfs/dbraw/zinc/68/75/07/561687507.db2.gz YCMAOHLEJMWCLX-JGCGQSQUSA-N 1 0 594.583 5.624 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+](C)CCCCc2ccncc2)c1 ZINC000002008979 561680484 /nfs/dbraw/zinc/68/04/84/561680484.db2.gz MBFGBJUIRFPOCP-UHFFFAOYSA-N 1 0 576.829 7.775 1 0 KKAFRO C[NH+](C)CCCOC(=O)N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC000003946471 561690005 /nfs/dbraw/zinc/69/00/05/561690005.db2.gz KBVPOFHEUMGKGC-XZOQPEGZSA-N 1 0 559.551 5.618 1 0 KKAFRO COc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC)ccc2-1 ZINC000003951497 561690471 /nfs/dbraw/zinc/69/04/71/561690471.db2.gz SUWVWDRFMWRSLT-GDLZYMKVSA-N 1 0 501.648 6.932 1 0 KKAFRO COc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000003956113 561690963 /nfs/dbraw/zinc/69/09/63/561690963.db2.gz STMNILZOLHBBCX-UHFFFAOYSA-N 1 0 514.510 6.251 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[N@@H+]5CC[C@@H](O)C5)cc3F)CC4)cc12 ZINC000003979347 561692238 /nfs/dbraw/zinc/69/22/38/561692238.db2.gz BABFXZTUINNAIF-HXUWFJFHSA-N 1 0 606.580 5.190 1 0 KKAFRO O=C(CN1CCc2cc(-c3cccnc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987150 561692979 /nfs/dbraw/zinc/69/29/79/561692979.db2.gz RTIVWDSFWBAUKZ-YTTGMZPUSA-N 1 0 563.573 7.248 1 0 KKAFRO COC[C@@H](O)CO[C@@H]1C[NH2+]C[C@H](OCc2cc3ccccc3c(OC)c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 ZINC000003994160 561693683 /nfs/dbraw/zinc/69/36/83/561693683.db2.gz NSAUOOQLSGAVDH-YYZIUVEKSA-N 1 0 645.793 5.507 1 0 KKAFRO COC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004391839 561694738 /nfs/dbraw/zinc/69/47/38/561694738.db2.gz NENBCHWHPLNENA-UHFFFAOYSA-N 1 0 515.631 6.156 1 0 KKAFRO COc1ccc2c3c(ccc2c1)c(C(=O)NCCC[NH+](C)CCCNC(=O)c1cn(C)c2c1ccc1cc(OC)ccc21)cn3C ZINC000005582510 561697200 /nfs/dbraw/zinc/69/72/00/561697200.db2.gz RBSJGTGRXKVMCE-UHFFFAOYSA-N 1 0 619.766 5.865 1 0 KKAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823029 561698755 /nfs/dbraw/zinc/69/87/55/561698755.db2.gz HKSABFMJANGSMM-TWJUONSBSA-N 1 0 521.657 7.300 1 0 KKAFRO CC[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000003946685 561689991 /nfs/dbraw/zinc/68/99/91/561689991.db2.gz FRGKOLSKMIBPHY-LJAQVGFWSA-N 1 0 556.769 6.081 1 0 KKAFRO COc1cccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)c1 ZINC000013451533 561713476 /nfs/dbraw/zinc/71/34/76/561713476.db2.gz YHDPFSHCPVWHIB-UHFFFAOYSA-N 1 0 520.695 5.848 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000006717645 561703088 /nfs/dbraw/zinc/70/30/88/561703088.db2.gz NQMPGNKDRXIWDH-MGBGTMOVSA-N 1 0 645.910 6.525 1 0 KKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690095 561707703 /nfs/dbraw/zinc/70/77/03/561707703.db2.gz BRNGMYIYCLGEIK-HKFIEYPESA-N 1 0 554.137 8.486 3 0 KKAFRO CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4cccc5ccccc54)c3)CC2)cc1 ZINC000011787104 561709941 /nfs/dbraw/zinc/70/99/41/561709941.db2.gz KUQXTLZPJNSFOB-UHFFFAOYSA-N 1 0 521.661 6.114 1 0 KKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)CC2)cc1 ZINC000013440401 561712502 /nfs/dbraw/zinc/71/25/02/561712502.db2.gz TVDLTEZIIJCATM-UHFFFAOYSA-N 1 0 505.555 7.053 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCC(c2ccccc2)c2ccccc2)C1 ZINC000013450310 561713314 /nfs/dbraw/zinc/71/33/14/561713314.db2.gz WSPFWOXBLPRUED-SETSBSEESA-N 1 0 517.646 5.081 1 0 KKAFRO Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000013489987 561716126 /nfs/dbraw/zinc/71/61/26/561716126.db2.gz XHECFEYKUWOZIT-QFIPXVFZSA-N 1 0 500.602 5.147 1 0 KKAFRO Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560276 561719721 /nfs/dbraw/zinc/71/97/21/561719721.db2.gz YFEPUDFZMYDTMF-UHFFFAOYSA-N 1 0 512.698 5.103 1 0 KKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013560296 561719747 /nfs/dbraw/zinc/71/97/47/561719747.db2.gz CWHJFZWERDLNIU-UHFFFAOYSA-N 1 0 503.690 7.137 1 0 KKAFRO Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@@]([NH3+])(c4cncn4C)c4ccc(Cl)cc4)ccc3n12 ZINC000013587839 561720931 /nfs/dbraw/zinc/72/09/31/561720931.db2.gz ZBVRAORJUFNDAX-MUUNZHRXSA-N 1 0 513.432 6.149 1 0 KKAFRO O=C1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588390 561720993 /nfs/dbraw/zinc/72/09/93/561720993.db2.gz BTJBRCCYGKTBJW-SSEXGKCCSA-N 1 0 515.697 7.947 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643334 561722299 /nfs/dbraw/zinc/72/22/99/561722299.db2.gz WKMDLCMGKOYKFG-UHFFFAOYSA-N 1 0 502.417 5.795 1 0 KKAFRO CCOc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643392 561722305 /nfs/dbraw/zinc/72/23/05/561722305.db2.gz ZXKUYRLODOJGJS-UHFFFAOYSA-N 1 0 528.480 6.055 1 0 KKAFRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1C ZINC000013643396 561722326 /nfs/dbraw/zinc/72/23/26/561722326.db2.gz CRHWKPQYKCDTLK-UHFFFAOYSA-N 1 0 528.480 5.973 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(F)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646515 561722539 /nfs/dbraw/zinc/72/25/39/561722539.db2.gz UHRXNCPHRYVCHW-UHFFFAOYSA-N 1 0 501.027 5.801 1 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013661013 561723449 /nfs/dbraw/zinc/72/34/49/561723449.db2.gz RQBJCZXEOIGFBL-JOCHJYFZSA-N 1 0 513.590 5.824 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000013661264 561723515 /nfs/dbraw/zinc/72/35/15/561723515.db2.gz XDXYFGPYKCBEHB-RUZDIDTESA-N 1 0 507.671 6.559 3 0 KKAFRO CCNC(=O)Nc1nc2nc(NCCCC[NH+](CC)CC)ncc2cc1-c1c(Cl)cccc1Cl ZINC000013763799 561728281 /nfs/dbraw/zinc/72/82/81/561728281.db2.gz GCTRVFZGBTUDPW-UHFFFAOYSA-N 1 0 504.466 5.674 1 0 KKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000013731193 561725176 /nfs/dbraw/zinc/72/51/76/561725176.db2.gz KHMNDCKIIWBMLG-UHFFFAOYSA-N 1 0 512.620 6.283 1 0 KKAFRO COc1ccc(C(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccc(OC)c3ccccc32)c2ccccc12 ZINC000013734010 561725524 /nfs/dbraw/zinc/72/55/24/561725524.db2.gz WJSFCSSZMOGVJK-PSWAGMNNSA-N 1 0 524.705 6.911 1 0 KKAFRO O=C1N(CCCC[NH+]2CCN(c3cn(-c4ccccc4)c4ccccc34)CC2)CSC12CCCCC2 ZINC000013759424 561727374 /nfs/dbraw/zinc/72/73/74/561727374.db2.gz RUKPUHCCONQDGO-UHFFFAOYSA-N 1 0 502.728 5.769 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013777690 561728657 /nfs/dbraw/zinc/72/86/57/561728657.db2.gz CIJBLVOZDMZNJK-GMYSVHFESA-N 1 0 517.629 5.481 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781685 561729487 /nfs/dbraw/zinc/72/94/87/561729487.db2.gz AENYUXFGNVUDBE-NDEPHWFRSA-N 1 0 528.759 6.101 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(OCCF)c(N5CC[NH+](C)CC5)c4)cc3)c(C)c2)no1 ZINC000013805069 561731378 /nfs/dbraw/zinc/73/13/78/561731378.db2.gz DUMFBDNWYSCVRA-UHFFFAOYSA-N 1 0 529.616 5.373 1 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812967 561731771 /nfs/dbraw/zinc/73/17/71/561731771.db2.gz KBSMGRBHVBYBIY-ORKTZOGASA-N 1 0 515.663 8.774 1 0 KKAFRO CCOC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834321 561734224 /nfs/dbraw/zinc/73/42/24/561734224.db2.gz ZBWSILBHNXLULT-UHFFFAOYSA-N 1 0 529.658 6.546 1 0 KKAFRO CN(C[C@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000013835141 561734335 /nfs/dbraw/zinc/73/43/35/561734335.db2.gz ZWWUXEYLYPLWLP-SSEXGKCCSA-N 1 0 539.720 5.697 1 0 KKAFRO CN(C(=O)[C@@H]1CCc2c(Br)sc3cccc1c32)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000013860898 561734643 /nfs/dbraw/zinc/73/46/43/561734643.db2.gz WPDLVWOUMWRXIF-NYWXEVPUSA-N 1 0 517.533 5.718 1 0 KKAFRO CN(C(=O)[C@H]1CCc2c(Br)sc3cccc1c32)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000013860899 561734648 /nfs/dbraw/zinc/73/46/48/561734648.db2.gz WPDLVWOUMWRXIF-NSSDIGLXSA-N 1 0 517.533 5.718 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCC(C)(C)C)(C(=O)OCCC(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000014096256 561736449 /nfs/dbraw/zinc/73/64/49/561736449.db2.gz LNLCBPXETCWIHH-BWKNWUBXSA-N 1 0 590.157 6.021 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCOC3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014164605 561737141 /nfs/dbraw/zinc/73/71/41/561737141.db2.gz LDVRAJSZIPKJHL-GKECAPAKSA-N 1 0 582.629 7.285 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000014209314 561737677 /nfs/dbraw/zinc/73/76/77/561737677.db2.gz DGLDUQZIRFLLRH-QVWWMRLHSA-N 1 0 564.557 6.037 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000014255610 561738612 /nfs/dbraw/zinc/73/86/12/561738612.db2.gz IVEDLBLTDDBGQI-VWLOTQADSA-N 1 0 577.810 7.580 1 0 KKAFRO COc1ccccc1CC(=O)N1CC[C@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000014286348 561739140 /nfs/dbraw/zinc/73/91/40/561739140.db2.gz YCMAOHLEJMWCLX-YTTGMZPUSA-N 1 0 594.583 5.624 1 0 KKAFRO CC[NH+](CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)Nc3ccccc3)nc2n1 ZINC000014944233 561742302 /nfs/dbraw/zinc/74/23/02/561742302.db2.gz LYJIVFCOOJRVBF-UHFFFAOYSA-N 1 0 552.510 7.177 1 0 KKAFRO O=C(/C=C/CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000014944653 561742563 /nfs/dbraw/zinc/74/25/63/561742563.db2.gz SSRSEBNRBASBBM-VMPITWQZSA-N 1 0 549.517 5.581 1 0 KKAFRO C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(N(CCCC(F)(F)F)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945881 561743333 /nfs/dbraw/zinc/74/33/33/561743333.db2.gz HQGMRHNRHQZULO-LJQANCHMSA-N 1 0 558.432 6.309 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CNc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950416 561745458 /nfs/dbraw/zinc/74/54/58/561745458.db2.gz WNKVDNSACGSTII-UHFFFAOYSA-N 1 0 547.541 5.373 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1 ZINC000014950855 561745773 /nfs/dbraw/zinc/74/57/73/561745773.db2.gz GIJAFZZBRFHAFR-QHCPKHFHSA-N 1 0 512.617 6.146 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]CC4CC4)cc3F)cc12 ZINC000014951113 561745880 /nfs/dbraw/zinc/74/58/80/561745880.db2.gz KXYCKYNUVARMMF-UHFFFAOYSA-N 1 0 564.543 6.173 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950898 561745904 /nfs/dbraw/zinc/74/59/04/561745904.db2.gz XQGUFFSRHKRUOB-VWLOTQADSA-N 1 0 515.642 6.489 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2ccc(Br)cc2)c1 ZINC000014953463 561746592 /nfs/dbraw/zinc/74/65/92/561746592.db2.gz MNIIBNMCMGLNIR-UHFFFAOYSA-N 1 0 528.878 5.765 1 0 KKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(OCCc2ccc(Cl)cc2Cl)c1 ZINC000014953480 561746677 /nfs/dbraw/zinc/74/66/77/561746677.db2.gz ADLCQQQYJWNTLY-UHFFFAOYSA-N 1 0 563.323 6.419 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CC[NH+](C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000014965440 561749653 /nfs/dbraw/zinc/74/96/53/561749653.db2.gz KPQJQFYLUIIHKC-UHFFFAOYSA-N 1 0 598.704 5.952 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000014970495 561750972 /nfs/dbraw/zinc/75/09/72/561750972.db2.gz DESJRSILBBZHEG-HVIPQOSHSA-N 1 0 571.729 5.474 1 0 KKAFRO CC[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@@H]2Cc2ccc(O)cc2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000017376910 561755108 /nfs/dbraw/zinc/75/51/08/561755108.db2.gz SKUNXXMYICEAKT-GCRSFRQPSA-N 1 0 538.736 5.300 3 0 KKAFRO CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000017421864 561755181 /nfs/dbraw/zinc/75/51/81/561755181.db2.gz ZYNOWIYBJHDAJQ-QFIPXVFZSA-N 1 0 526.685 6.850 1 0 KKAFRO O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527411 561755268 /nfs/dbraw/zinc/75/52/68/561755268.db2.gz PTTHOVHGPPERMY-QVWWMRLHSA-N 1 0 554.712 5.669 3 0 KKAFRO O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527409 561755292 /nfs/dbraw/zinc/75/52/92/561755292.db2.gz CUADRWDCEMJIGI-BHBYDHKZSA-N 1 0 566.620 5.473 3 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655032 561757780 /nfs/dbraw/zinc/75/77/80/561757780.db2.gz YZLHJDXGHOKASL-FQLXRVMXSA-N 1 0 571.762 6.285 1 0 KKAFRO COc1cc([C@@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655089 561757932 /nfs/dbraw/zinc/75/79/32/561757932.db2.gz ZDBKWMSLDSBPEF-FTJBHMTQSA-N 1 0 604.744 5.854 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655193 561757939 /nfs/dbraw/zinc/75/79/39/561757939.db2.gz JJCDILMKORSWRA-IZLXSDGUSA-N 1 0 559.751 6.141 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000022449423 561759267 /nfs/dbraw/zinc/75/92/67/561759267.db2.gz KEIRBRQKXFLPHS-UHFFFAOYSA-N 1 0 561.612 5.609 1 0 KKAFRO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 ZINC000022452790 561759372 /nfs/dbraw/zinc/75/93/72/561759372.db2.gz RBLCKVWSBGCRJN-CZNDPXEESA-N 1 0 616.181 5.596 1 0 KKAFRO O=C1CC[C@@](CC[NH+]2CC(N3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927761 561759881 /nfs/dbraw/zinc/75/98/81/561759881.db2.gz HUERSZSCUMQRFY-MHZLTWQESA-N 1 0 518.554 5.177 1 0 KKAFRO CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 561760287 /nfs/dbraw/zinc/76/02/87/561760287.db2.gz AKVBPIBFLBXBAR-CPJSRVTESA-N 1 0 531.667 5.654 1 0 KKAFRO O[C@@H](COc1ccnc2cc(C(F)(F)F)ccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022934071 561760479 /nfs/dbraw/zinc/76/04/79/561760479.db2.gz AZZZOUXQECPSMI-RUZDIDTESA-N 1 0 521.583 5.401 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(Cl)c4)C[C@H]23)CC1 ZINC000022935403 561760606 /nfs/dbraw/zinc/76/06/06/561760606.db2.gz FEOULTQKWJHGBV-AVPJRLCVSA-N 1 0 519.492 5.724 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000022935412 561760723 /nfs/dbraw/zinc/76/07/23/561760723.db2.gz QJCAUKKFSSKTHR-AVPJRLCVSA-N 1 0 503.037 5.210 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952990 561761395 /nfs/dbraw/zinc/76/13/95/561761395.db2.gz JDJYWNRPLBNDBK-UHFFFAOYSA-N 1 0 610.633 6.111 3 0 KKAFRO Cc1ccc(NC(=O)Nc2nc3nc(NCCCN4CC[NH+](C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000023357772 561761545 /nfs/dbraw/zinc/76/15/45/561761545.db2.gz CGTDZZXDWFMLEF-UHFFFAOYSA-N 1 0 579.536 6.000 1 0 KKAFRO CC[NH+]1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1 ZINC000023359298 561762157 /nfs/dbraw/zinc/76/21/57/561762157.db2.gz URWOFVWFYVNSPO-UHFFFAOYSA-N 1 0 551.927 6.350 1 0 KKAFRO O[C@H]1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000025972481 561763290 /nfs/dbraw/zinc/76/32/90/561763290.db2.gz DMAQQUULTGXWQK-RYWJPUDZSA-N 1 0 517.713 7.798 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(C)c(C)c(=O)nc1SCc1ccc(F)cc1 ZINC000026010781 561765822 /nfs/dbraw/zinc/76/58/22/561765822.db2.gz WESWMZAUSGJQRC-UHFFFAOYSA-N 1 0 654.774 7.348 1 0 KKAFRO CCNS(=O)(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026015970 561766345 /nfs/dbraw/zinc/76/63/45/561766345.db2.gz GBKKSIQCKBSRBC-UHFFFAOYSA-N 1 0 518.727 5.873 1 0 KKAFRO CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)NCCC[NH+](C)C)ccc1-c1ccc(Cl)cc1 ZINC000026170984 561769895 /nfs/dbraw/zinc/76/98/95/561769895.db2.gz SDTLZBKGRGUYBM-UHFFFAOYSA-N 1 0 585.976 7.003 1 0 KKAFRO CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[N@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F ZINC000026248814 561773750 /nfs/dbraw/zinc/77/37/50/561773750.db2.gz UFYHSHPKWNIZHL-AHWVRZQESA-N 1 0 514.571 5.244 1 0 KKAFRO COc1ccc([C@@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268187 561776636 /nfs/dbraw/zinc/77/66/36/561776636.db2.gz QFOQKQPDVPKVEX-WJOKGBTCSA-N 1 0 527.771 7.447 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026270631 561777130 /nfs/dbraw/zinc/77/71/30/561777130.db2.gz HCVKFRCXTOIGDM-KYJUHHDHSA-N 1 0 636.631 6.157 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026281442 561778997 /nfs/dbraw/zinc/77/89/97/561778997.db2.gz FSVMBYSTSUIRJD-QHCPKHFHSA-N 1 0 551.518 6.219 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288517 561780251 /nfs/dbraw/zinc/78/02/51/561780251.db2.gz FPXIRXAXVYUYRD-XZOQPEGZSA-N 1 0 537.491 5.829 1 0 KKAFRO NC(=[NH2+])c1ccc(C[C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026380354 561783229 /nfs/dbraw/zinc/78/32/29/561783229.db2.gz PEPDBOTWGZBWKM-MHZLTWQESA-N 1 0 529.533 6.117 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026391684 561785949 /nfs/dbraw/zinc/78/59/49/561785949.db2.gz GWNQWBXHDWSYEI-JGCGQSQUSA-N 1 0 628.647 5.568 1 0 KKAFRO CC(C)[C@@H]([NH2+]CCc1ccccc1)c1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1 ZINC000026499396 561795001 /nfs/dbraw/zinc/79/50/01/561795001.db2.gz IASHEURKZFQDMZ-XMMPIXPASA-N 1 0 520.559 5.800 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1C(=O)OC ZINC000026399113 561787996 /nfs/dbraw/zinc/78/79/96/561787996.db2.gz CDXJFHZNFPQEPV-OHQITXMPSA-N 1 0 505.574 6.385 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026483891 561792085 /nfs/dbraw/zinc/79/20/85/561792085.db2.gz XTKPQVFOCUYODU-NJEMLTPYSA-N 1 0 573.067 5.145 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000026487497 561792652 /nfs/dbraw/zinc/79/26/52/561792652.db2.gz WRVPMFQQPSZJIU-IQQNDYETSA-N 1 0 579.458 5.020 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC[C@H]1CCCCO1 ZINC000026493659 561793919 /nfs/dbraw/zinc/79/39/19/561793919.db2.gz WMCZYQALENMCCM-NLZHPIBLSA-N 1 0 634.629 5.238 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026504044 561796220 /nfs/dbraw/zinc/79/62/20/561796220.db2.gz GILLIBKHPUQVNU-MUUNZHRXSA-N 1 0 525.158 6.479 1 0 KKAFRO FC(F)(F)c1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026505142 561796384 /nfs/dbraw/zinc/79/63/84/561796384.db2.gz WTNIWSHLUDQHLC-AREMUKBSSA-N 1 0 514.555 5.746 1 0 KKAFRO O=S(=O)([N-]c1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1)c1ccccc1 ZINC000026570209 561798041 /nfs/dbraw/zinc/79/80/41/561798041.db2.gz FZHNZLXDYSXLHB-UHFFFAOYSA-N 1 0 681.924 7.909 1 0 KKAFRO O[C@@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576506 561800366 /nfs/dbraw/zinc/80/03/66/561800366.db2.gz CGTJDJAUSDYKFM-WJOKGBTCSA-N 1 0 554.698 5.415 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 ZINC000026577534 561801779 /nfs/dbraw/zinc/80/17/79/561801779.db2.gz JAGRLYPMZPJKJU-BUFIKQNTSA-N 1 0 583.647 5.826 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000026578350 561803112 /nfs/dbraw/zinc/80/31/12/561803112.db2.gz WFSGQIXIGIQILN-GADTUSCJSA-N 1 0 598.187 7.177 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026578638 561803641 /nfs/dbraw/zinc/80/36/41/561803641.db2.gz BMSJVKMBUPXVQE-HSZRJFAPSA-N 1 0 575.627 6.927 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000026578685 561803711 /nfs/dbraw/zinc/80/37/11/561803711.db2.gz GOTHHOLKGACPTF-CCPAGJRDSA-N 1 0 570.586 6.786 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000026579512 561804826 /nfs/dbraw/zinc/80/48/26/561804826.db2.gz NJTRIIAWECXRRV-GWEXNCIJSA-N 1 0 569.598 6.323 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000026579600 561804998 /nfs/dbraw/zinc/80/49/98/561804998.db2.gz HMEFFWIAISUKDO-IMISRGLISA-N 1 0 626.071 6.596 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026644649 561807242 /nfs/dbraw/zinc/80/72/42/561807242.db2.gz JZHXLYHEWUWHQL-YOTLLIAWSA-N 1 0 632.632 7.830 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[NH2+]Cc2ccccc2OC)C1 ZINC000026649865 561808201 /nfs/dbraw/zinc/80/82/01/561808201.db2.gz UXCPRGUEANQDIA-DHUJRADRSA-N 1 0 670.899 6.648 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3CCN(CC[NH+]4CCCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026661775 561810417 /nfs/dbraw/zinc/81/04/17/561810417.db2.gz RYMVWMWRYADLJC-UHFFFAOYSA-N 1 0 619.569 6.397 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC000026664425 561810864 /nfs/dbraw/zinc/81/08/64/561810864.db2.gz QSSWXHSQMGICOW-KDXMTYKHSA-N 1 0 696.981 7.941 1 0 KKAFRO O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026664189 561810873 /nfs/dbraw/zinc/81/08/73/561810873.db2.gz FFWJMJCDPFQUJT-WJOKGBTCSA-N 1 0 528.674 5.356 1 0 KKAFRO COc1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026664381 561810936 /nfs/dbraw/zinc/81/09/36/561810936.db2.gz QCACJCBWIPGWER-ACXULAKISA-N 1 0 637.673 8.018 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(N)(=O)=O)cc2ccccc21 ZINC000026670370 561812176 /nfs/dbraw/zinc/81/21/76/561812176.db2.gz DGMLGHXEKBUEAR-RQWLYIOSSA-N 1 0 686.727 6.657 1 0 KKAFRO C[C@@H](C1CC1)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026670464 561812227 /nfs/dbraw/zinc/81/22/27/561812227.db2.gz PMTDZISTUJQDHS-KRWDZBQOSA-N 1 0 572.939 8.792 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000026716042 561814062 /nfs/dbraw/zinc/81/40/62/561814062.db2.gz LQNLNHOIPAAEJI-RWYGWLOXSA-N 1 0 705.831 6.413 1 0 KKAFRO COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CC[NH+](CC[C@@]3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000026716817 561814346 /nfs/dbraw/zinc/81/43/46/561814346.db2.gz WYLMUYOKAITMJI-USYZEHPZSA-N 1 0 744.889 6.666 1 0 KKAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O ZINC000026825247 561821836 /nfs/dbraw/zinc/82/18/36/561821836.db2.gz GRXKGMFBAMEGTB-WNJJXGMVSA-N 1 0 518.635 5.163 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4cccnc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717692 561814451 /nfs/dbraw/zinc/81/44/51/561814451.db2.gz AHIOIWMCDDMDRL-VQJSHJPSSA-N 1 0 687.841 6.274 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(F)cc3F)C2)cc(OC)c1OC ZINC000026721411 561815363 /nfs/dbraw/zinc/81/53/63/561815363.db2.gz PVOZTVLKZYEWDB-WBCKFURZSA-N 1 0 740.823 7.297 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026730628 561816639 /nfs/dbraw/zinc/81/66/39/561816639.db2.gz KTXWLWWFYDYESF-YBLJPNGSSA-N 1 0 520.629 5.152 1 0 KKAFRO COC(=O)[C@H](C1CCCCC1)N1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026752661 561820005 /nfs/dbraw/zinc/82/00/05/561820005.db2.gz XAKNITJBZPITFX-QAXCHELISA-N 1 0 532.769 5.674 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc(I)cc2)c1 ZINC000026818444 561820630 /nfs/dbraw/zinc/82/06/30/561820630.db2.gz ULJSRHPSSIXNKD-WUFINQPMSA-N 1 0 589.521 6.462 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2cccc3ccccc32)c1 ZINC000026829343 561822596 /nfs/dbraw/zinc/82/25/96/561822596.db2.gz BINXDUAGTLDZSD-IOWSJCHKSA-N 1 0 513.685 7.011 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc3ccccc3c2)c1 ZINC000026829348 561822610 /nfs/dbraw/zinc/82/26/10/561822610.db2.gz LEKNVQXTSOHTEK-AJQTZOPKSA-N 1 0 513.685 7.011 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@](C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026835871 561824344 /nfs/dbraw/zinc/82/43/44/561824344.db2.gz YQCQEQGDXWNQQT-MMEOBGCCSA-N 1 0 670.254 6.755 1 0 KKAFRO C[NH+](C)CCCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000026838814 561825235 /nfs/dbraw/zinc/82/52/35/561825235.db2.gz AZCBEWVFZCGQLB-RRHRGVEJSA-N 1 0 626.801 6.973 1 0 KKAFRO C[N@H+](CCCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026839140 561825238 /nfs/dbraw/zinc/82/52/38/561825238.db2.gz HRSZLILMOUCKMN-PMERELPUSA-N 1 0 570.796 6.471 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026840409 561825558 /nfs/dbraw/zinc/82/55/58/561825558.db2.gz COQRQYDTULKQEN-NYSLFRRSSA-N 1 0 576.162 5.132 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCC2)c(C(C)C)c1 ZINC000026842197 561825950 /nfs/dbraw/zinc/82/59/50/561825950.db2.gz KQJFAHLTPFDWFI-HHHXNRCGSA-N 1 0 540.774 5.243 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 ZINC000026843063 561826155 /nfs/dbraw/zinc/82/61/55/561826155.db2.gz BQRVLHNYCPOZSY-ANHUGMMASA-N 1 0 621.782 5.928 1 0 KKAFRO O=C(CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C(C[C@@H]1CCCC[NH2+]1)(C1CCCCC1)C1CCCCC1 ZINC000026850407 561827152 /nfs/dbraw/zinc/82/71/52/561827152.db2.gz ZMJYFVOJSCCNSX-MHZLTWQESA-N 1 0 548.772 6.218 1 0 KKAFRO COc1ccc(CC[NH2+]CC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc43)c3ccccc3O2)cc1OC ZINC000026851377 561827309 /nfs/dbraw/zinc/82/73/09/561827309.db2.gz FYSARLZBTIDTIN-XMMPIXPASA-N 1 0 532.662 5.036 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026988068 561832102 /nfs/dbraw/zinc/83/21/02/561832102.db2.gz YZKDSEWVOOJDTJ-YBUJKPIWSA-N 1 0 522.667 5.268 1 0 KKAFRO COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCCOC(=O)c1ccc[n+](C)c1 ZINC000027085184 561836142 /nfs/dbraw/zinc/83/61/42/561836142.db2.gz RHMANPUOZGPQIB-UHFFFAOYSA-N 1 0 543.684 6.419 1 0 KKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027095604 561837955 /nfs/dbraw/zinc/83/79/55/561837955.db2.gz LWPLIGWDKHLNEC-CVLIDWCKSA-N 1 0 532.684 5.879 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@](C)(C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107754 561840619 /nfs/dbraw/zinc/84/06/19/561840619.db2.gz AYVFJDPITYUMTH-IPZQJPLYSA-N 1 0 576.803 6.710 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1 ZINC000027108567 561840888 /nfs/dbraw/zinc/84/08/88/561840888.db2.gz JKHJBBRCYYHTJO-UHFFFAOYSA-N 1 0 625.214 5.012 1 0 KKAFRO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000027186540 561842663 /nfs/dbraw/zinc/84/26/63/561842663.db2.gz HMFVPOKPHBIIOI-XCZPVHLTSA-N 1 0 564.570 7.105 1 0 KKAFRO O=C(OC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000027207620 561846174 /nfs/dbraw/zinc/84/61/74/561846174.db2.gz UCTGXUBCYYWFLY-NSOVKSMOSA-N 1 0 524.661 5.310 1 0 KKAFRO CCC[N@@H+](Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027321685 561852733 /nfs/dbraw/zinc/85/27/33/561852733.db2.gz ILEBQUQFCNCBBT-UHFFFAOYSA-N 1 0 541.275 7.361 1 0 KKAFRO CN(c1nc2ccccc2s1)C1CC[NH+](CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430825 561859366 /nfs/dbraw/zinc/85/93/66/561859366.db2.gz JQMDACVTWFQSGE-SSEXGKCCSA-N 1 0 594.891 7.162 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027410766 561856330 /nfs/dbraw/zinc/85/63/30/561856330.db2.gz AUBQUXYCNPBQLF-JMAWJCEVSA-N 1 0 707.916 5.782 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431945 561859496 /nfs/dbraw/zinc/85/94/96/561859496.db2.gz VLRKCLYSNVDLNZ-ONOMSOESSA-N 1 0 572.768 5.052 1 0 KKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1I)CN2c1ccccc1)c1ccc(F)cc1 ZINC000027429368 561858957 /nfs/dbraw/zinc/85/89/57/561858957.db2.gz OJTMBEATTITROZ-UHFFFAOYSA-N 1 0 611.499 5.734 1 0 KKAFRO O=C(C1CCCCC1)N1C[C@H](C[NH+]2CCC(N(Cc3ccccc3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 ZINC000027434600 561859818 /nfs/dbraw/zinc/85/98/18/561859818.db2.gz ACMSANXIVMQTEW-CQTOTRCISA-N 1 0 536.764 6.375 1 0 KKAFRO CN(C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027437559 561860326 /nfs/dbraw/zinc/86/03/26/561860326.db2.gz KVMAFOLRKOWSLN-AREMUKBSSA-N 1 0 624.497 7.724 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(OC)c2)cc1 ZINC000027522171 561864413 /nfs/dbraw/zinc/86/44/13/561864413.db2.gz SRJFMCQYJFRTOX-NYGBNSOISA-N 1 0 547.655 5.490 1 0 KKAFRO CN(C[C@@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517580 561861330 /nfs/dbraw/zinc/86/13/30/561861330.db2.gz XTGGBXGXBHZDDH-VWLOTQADSA-N 1 0 599.616 6.145 1 0 KKAFRO CN(C[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517650 561861394 /nfs/dbraw/zinc/86/13/94/561861394.db2.gz HFHVHLAVHVRGJU-VWLOTQADSA-N 1 0 658.942 8.377 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@H]3C[NH2+]C[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027517722 561861418 /nfs/dbraw/zinc/86/14/18/561861418.db2.gz UCRUJXVEFBEWBN-WSZKRTDOSA-N 1 0 589.161 5.486 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517877 561861626 /nfs/dbraw/zinc/86/16/26/561861626.db2.gz OVNDNIJQJAWJBW-JDXGNMNLSA-N 1 0 595.672 7.339 1 0 KKAFRO CN(C[C@H](c1cccc2c1OCO2)N1CC[NH+](C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518122 561861990 /nfs/dbraw/zinc/86/19/90/561861990.db2.gz HHQOEPKLIPHRNY-RUZDIDTESA-N 1 0 599.616 6.145 1 0 KKAFRO CN(C[C@@H](c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518300 561862120 /nfs/dbraw/zinc/86/21/20/561862120.db2.gz WTFDZBOBFSIEHU-SANMLTNESA-N 1 0 613.643 6.188 1 0 KKAFRO COc1nccc(NC(=O)c2cc3c(cc2Cl)[nH]c(=O)c(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)n1 ZINC000027518727 561862513 /nfs/dbraw/zinc/86/25/13/561862513.db2.gz XXYLCUQADTZZOZ-HXUWFJFHSA-N 1 0 562.070 5.427 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2OC)cc1 ZINC000027520001 561863399 /nfs/dbraw/zinc/86/33/99/561863399.db2.gz YUSXAXXYSSHTFP-BRYOWTDXSA-N 1 0 577.681 5.499 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccc(N(C)C)cc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027520009 561863415 /nfs/dbraw/zinc/86/34/15/561863415.db2.gz SYARZNLXEFMJSC-QHCPKHFHSA-N 1 0 573.137 6.695 1 0 KKAFRO C[NH+]1C(C)(C)CC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1(C)C ZINC000027524705 561865807 /nfs/dbraw/zinc/86/58/07/561865807.db2.gz CCELPATZKCADOK-UHFFFAOYSA-N 1 0 569.964 8.076 1 0 KKAFRO S=C(NCCC[NH+]1CCCC1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027525243 561866058 /nfs/dbraw/zinc/86/60/58/561866058.db2.gz PQOYZPGPIZTQTF-UHFFFAOYSA-N 1 0 545.378 5.108 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(CO)cc2Br)CC1 ZINC000027548388 561867462 /nfs/dbraw/zinc/86/74/62/561867462.db2.gz VRAWLOZCCWHRRN-UHFFFAOYSA-N 1 0 503.506 5.304 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552346 561868352 /nfs/dbraw/zinc/86/83/52/561868352.db2.gz RUYAQBZRWRWQHR-GDLZYMKVSA-N 1 0 515.679 6.608 1 0 KKAFRO O=C(COc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1 ZINC000027634213 561874073 /nfs/dbraw/zinc/87/40/73/561874073.db2.gz NUIOTLSXESKUAC-DGPALRBDSA-N 1 0 530.462 6.526 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCN(S(=O)(=O)C(C)C)CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027559542 561870300 /nfs/dbraw/zinc/87/03/00/561870300.db2.gz HQUOSRZMWZZQID-UHFFFAOYSA-N 1 0 646.854 6.167 1 0 KKAFRO CC(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027560975 561870712 /nfs/dbraw/zinc/87/07/12/561870712.db2.gz FKVJQFJRTBUFGD-UHFFFAOYSA-N 1 0 582.745 5.975 1 0 KKAFRO COc1ccc(C[NH2+]CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000027563363 561871332 /nfs/dbraw/zinc/87/13/32/561871332.db2.gz RQYPCGSQQGJMAC-XBEDDMDISA-N 1 0 564.811 7.732 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cccc2ccccc21 ZINC000027639155 561874949 /nfs/dbraw/zinc/87/49/49/561874949.db2.gz VAGYBZBVJPZWJP-UHFFFAOYSA-N 1 0 516.089 5.281 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cccnc3)cc1)CC2 ZINC000027655228 561877294 /nfs/dbraw/zinc/87/72/94/561877294.db2.gz PPJLCZGIFHSLJC-UHFFFAOYSA-N 1 0 536.632 5.204 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc(Cl)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658008 561878410 /nfs/dbraw/zinc/87/84/10/561878410.db2.gz OXWXCFCCCCDJHA-UHFFFAOYSA-N 1 0 621.137 7.011 1 0 KKAFRO COc1ccc([C@@H]2Sc3cc(F)ccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736169 561881827 /nfs/dbraw/zinc/88/18/27/561881827.db2.gz AEKRAIGQUFARMX-UIOOFZCWSA-N 1 0 508.615 5.110 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCCCCCOCc2ccc(-c3ccccc3)cc2)C1 ZINC000027743323 561882745 /nfs/dbraw/zinc/88/27/45/561882745.db2.gz HKGFIDFQQGCMRN-HKFHRXRESA-N 1 0 589.753 6.303 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000027745224 561882939 /nfs/dbraw/zinc/88/29/39/561882939.db2.gz JHOUEHSZJCOGEB-DMBLRCPMSA-N 1 0 539.720 6.270 1 0 KKAFRO CC1(C)CCC(C)(C)c2cc(-c3c(C4=CC(=O)NC4=O)c4ccccc4n3CCCSC(N)=[NH2+])ccc21 ZINC000027844414 561885436 /nfs/dbraw/zinc/88/54/36/561885436.db2.gz WKWWLEVLAMNWLO-UHFFFAOYSA-N 1 0 514.695 5.714 1 0 KKAFRO CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCC[NH3+])c2n1 ZINC000027852502 561886208 /nfs/dbraw/zinc/88/62/08/561886208.db2.gz VHGLCYBZRVEKLC-UHFFFAOYSA-N 1 0 536.705 5.620 1 0 KKAFRO O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027863393 561887410 /nfs/dbraw/zinc/88/74/10/561887410.db2.gz YHSGEKJDOIPDMT-YTTGMZPUSA-N 1 0 605.805 5.351 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2cccc3ncccc23)c1 ZINC000027894626 561890198 /nfs/dbraw/zinc/89/01/98/561890198.db2.gz JYLGBKVFGGLZNG-ZDVODEEHSA-N 1 0 612.862 8.757 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cnc3n[nH]nc3c2)c1 ZINC000027895489 561890223 /nfs/dbraw/zinc/89/02/23/561890223.db2.gz XMDFELKYJKBOIE-XNORXSBBSA-N 1 0 603.815 6.732 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCc2ccc3ncccc3c2)c1 ZINC000027981973 561891801 /nfs/dbraw/zinc/89/18/01/561891801.db2.gz UCYCFJHMBRAHAB-DMBJWNJESA-N 1 0 612.862 8.757 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CN(S(C)(=O)=O)c5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027982329 561891840 /nfs/dbraw/zinc/89/18/40/561891840.db2.gz GVMXWDPIBITJQM-UMSFTDKQSA-N 1 0 704.673 5.548 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3ncoc3c2)c1 ZINC000027986263 561892373 /nfs/dbraw/zinc/89/23/73/561892373.db2.gz XGDYFBGSSSIIDK-WDEPAJCISA-N 1 0 588.796 7.960 1 0 KKAFRO COc1cc2c(cc1OC[C@@H](O)C[NH+]1CCCCC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027987102 561892382 /nfs/dbraw/zinc/89/23/82/561892382.db2.gz TYILTPXOEDGRFG-MHZLTWQESA-N 1 0 555.719 7.302 1 0 KKAFRO COC(=O)c1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000027995972 561893949 /nfs/dbraw/zinc/89/39/49/561893949.db2.gz YZKZLMODMMSSSJ-YTTGMZPUSA-N 1 0 610.538 5.015 1 0 KKAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccc4ccccc4n3)CO2)CC1 ZINC000027997737 561893997 /nfs/dbraw/zinc/89/39/97/561893997.db2.gz WQKSIJWYZMUMPU-XIFFEERXSA-N 1 0 603.550 5.776 1 0 KKAFRO COc1ccc(OCCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007009 561895827 /nfs/dbraw/zinc/89/58/27/561895827.db2.gz ZDDOKQGCSSPNEM-DHUJRADRSA-N 1 0 619.828 6.279 1 0 KKAFRO CCCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010415 561896277 /nfs/dbraw/zinc/89/62/77/561896277.db2.gz JDBQXMMPIGKZPM-DELQJEEYSA-N 1 0 582.833 6.812 1 0 KKAFRO CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013481 561896862 /nfs/dbraw/zinc/89/68/62/561896862.db2.gz VSDOQRBIRZGCHV-HROZJBRQSA-N 1 0 616.822 6.568 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028014060 561896979 /nfs/dbraw/zinc/89/69/79/561896979.db2.gz PSOBWSAKQGYGMP-XIFFEERXSA-N 1 0 594.774 6.602 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028015379 561897088 /nfs/dbraw/zinc/89/70/88/561897088.db2.gz HBHXAVXLZKWCKM-GTRCSXEUSA-N 1 0 622.801 6.565 1 0 KKAFRO CCn1ncc(C(C)(C)c2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015167 561897162 /nfs/dbraw/zinc/89/71/62/561897162.db2.gz XRWNBFQERAJNQF-JNYUFQCESA-N 1 0 596.860 7.157 1 0 KKAFRO COc1cc(CC(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028018311 561897864 /nfs/dbraw/zinc/89/78/64/561897864.db2.gz RPMPXKASBWJZPP-UUWRZZSWSA-N 1 0 654.635 5.641 1 0 KKAFRO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018741 561897969 /nfs/dbraw/zinc/89/79/69/561897969.db2.gz NDYUTCXPKZFGFW-TUTZNEALSA-N 1 0 624.823 5.041 1 0 KKAFRO CC(=O)N1c2ccccc2S[C@H]1c1cc(Cl)ccc1OCCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000028022478 561898841 /nfs/dbraw/zinc/89/88/41/561898841.db2.gz HZANWEFMNDFKST-HKBQPEDESA-N 1 0 549.136 7.251 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086162 561899076 /nfs/dbraw/zinc/89/90/76/561899076.db2.gz XNRDIULNKXSIMU-NGZLLANBSA-N 1 0 632.865 7.205 1 0 KKAFRO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028087201 561899428 /nfs/dbraw/zinc/89/94/28/561899428.db2.gz ZTXBUYCSHALQDM-AUFCLJJTSA-N 1 0 618.838 6.816 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087967 561899446 /nfs/dbraw/zinc/89/94/46/561899446.db2.gz ICFBKVPIXDVRSY-YJCNYCIJSA-N 1 0 630.849 6.959 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 ZINC000028090638 561899779 /nfs/dbraw/zinc/89/97/79/561899779.db2.gz ZQXTYFUVNQBWKC-NRFANRHFSA-N 1 0 517.522 6.284 1 0 KKAFRO CCCC[N@H+](CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1)CCc1ccc(OC)c(OC)c1 ZINC000028091716 561899909 /nfs/dbraw/zinc/89/99/09/561899909.db2.gz QHNUISCZXZMMPD-UHFFFAOYSA-N 1 0 592.802 7.026 1 0 KKAFRO CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093214 561900379 /nfs/dbraw/zinc/90/03/79/561900379.db2.gz OHJXUFLNJCDPTF-ARESMVSKSA-N 1 0 666.882 7.606 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093812 561900403 /nfs/dbraw/zinc/90/04/03/561900403.db2.gz QXBBLTVHGIMTJE-HPACOSHFSA-N 1 0 699.814 8.614 1 0 KKAFRO C[N@@H+]1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000028094249 561900496 /nfs/dbraw/zinc/90/04/96/561900496.db2.gz JBWTUVNRRIWIJQ-UHFFFAOYSA-N 1 0 607.780 5.688 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028096329 561900952 /nfs/dbraw/zinc/90/09/52/561900952.db2.gz MLKJWAJODRUMOO-RFUUAGDRSA-N 1 0 700.921 6.860 1 0 KKAFRO O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028098043 561901098 /nfs/dbraw/zinc/90/10/98/561901098.db2.gz KUKJOLRCPDCJAJ-UMSFTDKQSA-N 1 0 650.908 6.222 1 0 KKAFRO CN(C)CC[N@H+](C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000028102371 561901757 /nfs/dbraw/zinc/90/17/57/561901757.db2.gz CBWPDTJPGBXARO-UHFFFAOYSA-N 1 0 624.851 7.303 1 0 KKAFRO CC(=[NH2+])N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028112700 561903253 /nfs/dbraw/zinc/90/32/53/561903253.db2.gz BIWNYYVXMJLICH-UHFFFAOYSA-N 1 0 525.440 5.008 1 0 KKAFRO O=C(NC[C@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000028113404 561903361 /nfs/dbraw/zinc/90/33/61/561903361.db2.gz JLGKUPJDEGSXJD-NRFANRHFSA-N 1 0 571.515 7.258 1 0 KKAFRO COc1ccc([C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028113956 561903449 /nfs/dbraw/zinc/90/34/49/561903449.db2.gz XYDCBDBLPIJGQD-VWLOTQADSA-N 1 0 505.490 5.815 1 0 KKAFRO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000028119793 561904354 /nfs/dbraw/zinc/90/43/54/561904354.db2.gz WBEAZUXNTIFSLN-UHFFFAOYSA-N 1 0 543.269 8.931 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028123566 561904653 /nfs/dbraw/zinc/90/46/53/561904653.db2.gz OTRJGARPBIJRKG-JIPXPUAJSA-N 1 0 512.481 5.726 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124725 561904793 /nfs/dbraw/zinc/90/47/93/561904793.db2.gz CZSUCMAQMLGPBX-IOWSJCHKSA-N 1 0 627.151 6.931 1 0 KKAFRO Cc1ccccc1-c1nc(N2CCC([NH+]3CCCC3)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028127579 561905100 /nfs/dbraw/zinc/90/51/00/561905100.db2.gz VBEZAIKTSCILEI-UHFFFAOYSA-N 1 0 647.664 6.979 1 0 KKAFRO C[NH+]1CCN(c2cc(-c3ccccc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1 ZINC000028132086 561905897 /nfs/dbraw/zinc/90/58/97/561905897.db2.gz MZCJZOKHAHCBDA-UHFFFAOYSA-N 1 0 578.557 5.963 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135231 561906450 /nfs/dbraw/zinc/90/64/50/561906450.db2.gz PWPDGEOZCXYNKM-NIYFSFCBSA-N 1 0 513.469 5.121 1 0 KKAFRO Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1CN1CCOCC1 ZINC000028224548 561907788 /nfs/dbraw/zinc/90/77/88/561907788.db2.gz LYONRTZIDURQCN-UHFFFAOYSA-N 1 0 542.745 6.480 1 0 KKAFRO C[N@@H+]1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028109814 561902909 /nfs/dbraw/zinc/90/29/09/561902909.db2.gz AOIRKVVLTNNALR-UHFFFAOYSA-N 1 0 650.845 6.974 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028238324 561910128 /nfs/dbraw/zinc/91/01/28/561910128.db2.gz WYEUCDBCIHMNNC-FMIVXFBMSA-N 1 0 507.678 5.923 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238147 561910151 /nfs/dbraw/zinc/91/01/51/561910151.db2.gz VJKYDSYACPUUAN-UHFFFAOYSA-N 1 0 639.724 6.857 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028240484 561910330 /nfs/dbraw/zinc/91/03/30/561910330.db2.gz YGFGZUNKXKNZIL-WYMLVPIESA-N 1 0 547.621 6.325 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028241212 561910373 /nfs/dbraw/zinc/91/03/73/561910373.db2.gz XGQHYAKRJXFSKW-JLHYYAGUSA-N 1 0 547.621 6.325 1 0 KKAFRO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CCCC[NH3+])NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028256686 561911580 /nfs/dbraw/zinc/91/15/80/561911580.db2.gz FOSSHOAJMBIOEK-QTZOOKBWSA-N 1 0 694.961 6.452 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[NH2+]Cc3ccccc3C)c2=O)c1F ZINC000028256956 561911649 /nfs/dbraw/zinc/91/16/49/561911649.db2.gz OCLDXLGPCMTSQA-LJQANCHMSA-N 1 0 537.582 5.119 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000028341072 561914050 /nfs/dbraw/zinc/91/40/50/561914050.db2.gz JOMUOBXQCQBUHB-SSEXGKCCSA-N 1 0 620.144 5.154 1 0 KKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000028345697 561914906 /nfs/dbraw/zinc/91/49/06/561914906.db2.gz AYQCRJUBTVQWFC-ZCYQVOJMSA-N 1 0 540.676 7.737 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028231315 561909217 /nfs/dbraw/zinc/90/92/17/561909217.db2.gz UPFGSIPNBKPQPB-LXLYTFERSA-N 1 0 574.703 7.238 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[C@@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236481 561909789 /nfs/dbraw/zinc/90/97/89/561909789.db2.gz DMEZRLWWNBWQGR-YJKLBIRBSA-N 1 0 526.668 5.459 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[C@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236476 561909796 /nfs/dbraw/zinc/90/97/96/561909796.db2.gz DMEZRLWWNBWQGR-XHDJHXHHSA-N 1 0 526.668 5.459 1 0 KKAFRO CCC(=O)N(C)c1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238519 561910063 /nfs/dbraw/zinc/91/00/63/561910063.db2.gz QMNVBIOUMGUBCW-UHFFFAOYSA-N 1 0 694.804 7.221 1 0 KKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000028346986 561914999 /nfs/dbraw/zinc/91/49/99/561914999.db2.gz OQWRKFCPSRGIDK-DQEYMECFSA-N 1 0 540.676 7.737 1 0 KKAFRO CN(Cc1ccc(-c2cccs2)s1)C(=O)[C@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000028349991 561915361 /nfs/dbraw/zinc/91/53/61/561915361.db2.gz CTXVHHMARSUXEN-BDYUSTAISA-N 1 0 568.730 8.422 1 0 KKAFRO C[N@H+](Cc1cccc(-c2ccc(Br)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1 ZINC000028360537 561916754 /nfs/dbraw/zinc/91/67/54/561916754.db2.gz DZDHPEOBDDCTPU-ZEQRLZLVSA-N 1 0 559.291 6.464 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 ZINC000028361941 561916937 /nfs/dbraw/zinc/91/69/37/561916937.db2.gz KOFUHFHSEDMKPW-MUUNZHRXSA-N 1 0 536.563 6.085 1 0 KKAFRO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000028362807 561917013 /nfs/dbraw/zinc/91/70/13/561917013.db2.gz HZIWSQKABKJOQE-UHFFFAOYSA-N 1 0 630.854 7.258 1 0 KKAFRO CC(C)COCCC[NH2+][C@H](C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028345834 561914921 /nfs/dbraw/zinc/91/49/21/561914921.db2.gz KEELGABBGYLGJD-SECNVWGUSA-N 1 0 660.303 5.144 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(-c3ccccc3)nc2)CC1 ZINC000028385740 561921082 /nfs/dbraw/zinc/92/10/82/561921082.db2.gz JJJVWWYLMZCIIA-UHFFFAOYSA-N 1 0 611.816 5.152 1 0 KKAFRO CC(=O)Nc1ccccc1C(=O)N(C)C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000028388313 561921678 /nfs/dbraw/zinc/92/16/78/561921678.db2.gz CLOCRYKOFDUJGD-DEOSSOPVSA-N 1 0 568.545 6.181 1 0 KKAFRO Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1F ZINC000028389958 561922080 /nfs/dbraw/zinc/92/20/80/561922080.db2.gz QZWKHADLURYDEY-VWLOTQADSA-N 1 0 562.617 5.583 1 0 KKAFRO Cc1c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028392211 561922526 /nfs/dbraw/zinc/92/25/26/561922526.db2.gz IWZDQLHUDHMOMN-DEOSSOPVSA-N 1 0 598.597 6.154 1 0 KKAFRO O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028397823 561923454 /nfs/dbraw/zinc/92/34/54/561923454.db2.gz PUUNXGDFSPPXBV-UHFFFAOYSA-N 1 0 510.057 5.820 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCC[NH2+]2)cc(C)c1C ZINC000028455551 561923553 /nfs/dbraw/zinc/92/35/53/561923553.db2.gz HOLPQAAWTOLBOD-FQEVSTJZSA-N 1 0 532.044 5.337 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@H](C)NC(=O)[C@@H]3C[NH2+]CCN3c3ccc(F)cc3)c2=O)cc1 ZINC000028458220 561924430 /nfs/dbraw/zinc/92/44/30/561924430.db2.gz HZMVJLWFSIUIPU-LGGPFLRQSA-N 1 0 622.166 5.101 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3Cc3ccccc3)c2=O)cc1 ZINC000028458510 561924547 /nfs/dbraw/zinc/92/45/47/561924547.db2.gz KQMSIZIPFULASS-SFPIMLNGSA-N 1 0 617.215 5.951 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc21 ZINC000028465537 561926193 /nfs/dbraw/zinc/92/61/93/561926193.db2.gz KBCNGWODBYJUSG-OAQYLSRUSA-N 1 0 511.497 5.648 1 0 KKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472100 561927026 /nfs/dbraw/zinc/92/70/26/561927026.db2.gz LISDALNKNJFZIL-OAQYLSRUSA-N 1 0 539.507 5.217 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1nccc2ccccc21 ZINC000028472496 561927270 /nfs/dbraw/zinc/92/72/70/561927270.db2.gz FYWJICYTASRDFO-OAQYLSRUSA-N 1 0 511.497 5.648 1 0 KKAFRO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(CC[NH+](CC)CC)c(I)c1 ZINC000028476171 561928146 /nfs/dbraw/zinc/92/81/46/561928146.db2.gz ZIRMTIREZHSURE-UHFFFAOYSA-N 1 0 629.320 7.100 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1 ZINC000028476837 561928457 /nfs/dbraw/zinc/92/84/57/561928457.db2.gz QCVWQWXJPXRDNC-FQEVSTJZSA-N 1 0 511.497 5.648 1 0 KKAFRO CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028520691 561929009 /nfs/dbraw/zinc/92/90/09/561929009.db2.gz JKJSJPHXCRZLKD-HHHXNRCGSA-N 1 0 602.632 5.355 1 0 KKAFRO CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028520693 561929046 /nfs/dbraw/zinc/92/90/46/561929046.db2.gz PPKCWGLTAGNYCP-HHHXNRCGSA-N 1 0 616.659 5.745 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000028522915 561929705 /nfs/dbraw/zinc/92/97/05/561929705.db2.gz OEWDGPGUVMWJGG-HKBQPEDESA-N 1 0 609.773 6.814 1 0 KKAFRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523052 561929854 /nfs/dbraw/zinc/92/98/54/561929854.db2.gz JOZOHPBCAIWMKA-RUZDIDTESA-N 1 0 504.597 5.527 1 0 KKAFRO CC/C=C/CC/C=C/c1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4ccccc4)cc3)cc2)n1 ZINC000028523591 561930263 /nfs/dbraw/zinc/93/02/63/561930263.db2.gz JRTHOLUXAWUFPQ-KIVUXADTSA-N 1 0 601.838 7.160 1 0 KKAFRO OCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028525275 561931194 /nfs/dbraw/zinc/93/11/94/561931194.db2.gz RRLXCRMCBUXZCB-BBACVFHCSA-N 1 0 572.746 5.765 1 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCCCC[NH+](CC)CC)cc2)[C@H]1O ZINC000028526037 561931820 /nfs/dbraw/zinc/93/18/20/561931820.db2.gz URBHNOUIEQXVTG-KKLWWLSJSA-N 1 0 600.910 7.290 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000028529026 561933591 /nfs/dbraw/zinc/93/35/91/561933591.db2.gz ADHWTRBZUSJYJU-PSXMRANNSA-N 1 0 637.846 6.420 1 0 KKAFRO COCCCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)n2)s1 ZINC000028564356 561935654 /nfs/dbraw/zinc/93/56/54/561935654.db2.gz GTOXTYNPQZEAIY-UHFFFAOYSA-N 1 0 505.688 5.228 1 0 KKAFRO CC(C)(C)[NH+]1CCC(Oc2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028564949 561935839 /nfs/dbraw/zinc/93/58/39/561935839.db2.gz HJTPKZQJTVYNCD-UHFFFAOYSA-N 1 0 573.923 8.399 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565379 561935991 /nfs/dbraw/zinc/93/59/91/561935991.db2.gz XVMWJWPWMMIMQM-UHFFFAOYSA-N 1 0 539.934 8.596 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1 ZINC000028565428 561936191 /nfs/dbraw/zinc/93/61/91/561936191.db2.gz ACBABWKRMOQLQV-UHFFFAOYSA-N 1 0 525.014 7.706 1 0 KKAFRO CC[NH+](CC)CCCNc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000028567538 561936801 /nfs/dbraw/zinc/93/68/01/561936801.db2.gz JTYBVKDKUVYRGY-UHFFFAOYSA-N 1 0 544.042 6.319 1 0 KKAFRO C[C@@H]1CN([C@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028569154 561937777 /nfs/dbraw/zinc/93/77/77/561937777.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 1 0 501.646 5.300 1 0 KKAFRO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937796 /nfs/dbraw/zinc/93/77/96/561937796.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 0 527.709 5.212 1 0 KKAFRO Cc1cc(NCC[NH+]2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028569609 561938311 /nfs/dbraw/zinc/93/83/11/561938311.db2.gz RYWGNULCGCOYJE-UHFFFAOYSA-N 1 0 502.537 5.357 1 0 KKAFRO CC1(F)CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028572081 561939725 /nfs/dbraw/zinc/93/97/25/561939725.db2.gz LQAUSOVDKYFMFH-CLJLJLNGSA-N 1 0 524.080 6.193 1 0 KKAFRO COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])c(OC)c1 ZINC000028636483 561941214 /nfs/dbraw/zinc/94/12/14/561941214.db2.gz FOSNPZWBNIEQJL-GDLZYMKVSA-N 1 0 591.716 5.034 1 0 KKAFRO COc1ccc(CCN(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000028640239 561942727 /nfs/dbraw/zinc/94/27/27/561942727.db2.gz IIIAZRVKEIVSHC-UHFFFAOYSA-N 1 0 653.867 7.217 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000028643241 561943996 /nfs/dbraw/zinc/94/39/96/561943996.db2.gz DRRWMFNQXRLTHS-VSGBNLITSA-N 1 0 619.681 5.880 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645295 561944568 /nfs/dbraw/zinc/94/45/68/561944568.db2.gz BSGKYQFTDXUWSC-QPPBQGQZSA-N 1 0 512.538 6.779 1 0 KKAFRO CN(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710026 561950866 /nfs/dbraw/zinc/95/08/66/561950866.db2.gz WGUNFTKBYUCLEL-UHFFFAOYSA-N 1 0 546.689 6.120 1 0 KKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000028710130 561951025 /nfs/dbraw/zinc/95/10/25/561951025.db2.gz FEDJKFPVWLWPSG-UHFFFAOYSA-N 1 0 566.573 7.106 1 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CC[C@]2(c3cccc(Br)c3)C[C@@H]2C1)C(C)C ZINC000028649959 561945675 /nfs/dbraw/zinc/94/56/75/561945675.db2.gz AVQPXABTEFSDRR-FFCVWOAGSA-N 1 0 548.516 7.190 1 0 KKAFRO C[C@]12CC[C@@H]3c4ccc(OCCCCCCC[n+]5ccc(SCc6ccccc6)cc5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000028655199 561946569 /nfs/dbraw/zinc/94/65/69/561946569.db2.gz WFVWMZGCOSNCJB-CGAFRSNVSA-N 1 0 568.847 8.721 1 0 KKAFRO Nc1nc([C@H](CC[NH+]2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702681 561947146 /nfs/dbraw/zinc/94/71/46/561947146.db2.gz MYYAWMQCERSIHA-NRFANRHFSA-N 1 0 610.628 6.240 1 0 KKAFRO Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702674 561947172 /nfs/dbraw/zinc/94/71/72/561947172.db2.gz QMTYTDODWBWULC-QFIPXVFZSA-N 1 0 570.603 6.433 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702898 561947481 /nfs/dbraw/zinc/94/74/81/561947481.db2.gz DJZGCVPXKKXFCC-WQEODHJFSA-N 1 0 712.760 8.530 1 0 KKAFRO CC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703994 561948109 /nfs/dbraw/zinc/94/81/09/561948109.db2.gz FEHOZFOZMBPRSW-JEDUBMGFSA-N 1 0 564.614 7.596 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704040 561948126 /nfs/dbraw/zinc/94/81/26/561948126.db2.gz PVVAQUKXSCGSNX-SHBOCEKNSA-N 1 0 576.625 7.596 1 0 KKAFRO CCCCCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704082 561948286 /nfs/dbraw/zinc/94/82/86/561948286.db2.gz FONMXWMXXFXJLM-OHZZBQFHSA-N 1 0 570.715 8.277 1 0 KKAFRO CCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704060 561948294 /nfs/dbraw/zinc/94/82/94/561948294.db2.gz QVUCDCFWXARAJF-HFFMWGPHSA-N 1 0 528.634 7.106 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-n5ccnc5C)cc4)CC3)C2=O)c1 ZINC000028704487 561948567 /nfs/dbraw/zinc/94/85/67/561948567.db2.gz GODOQGRZKLKQSO-UHFFFAOYSA-N 1 0 553.638 5.332 1 0 KKAFRO O=C1N(CCc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704479 561948592 /nfs/dbraw/zinc/94/85/92/561948592.db2.gz GYEHSPMYPANVHO-UHFFFAOYSA-N 1 0 537.639 5.053 1 0 KKAFRO O=C(OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704262 561948597 /nfs/dbraw/zinc/94/85/97/561948597.db2.gz ACIRJCGAQPUUFQ-SANMLTNESA-N 1 0 560.160 5.717 1 0 KKAFRO NC(=[NH2+])Nc1ccc(Cc2ccc(N3c4ccccc4C(C4CCCCC4)=NN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000028711860 561952441 /nfs/dbraw/zinc/95/24/41/561952441.db2.gz ANCNOLKRROKZMH-UHFFFAOYSA-N 1 0 556.714 7.641 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(Cl)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028713461 561953995 /nfs/dbraw/zinc/95/39/95/561953995.db2.gz VZVJJJKCKDQXNN-ZJIIDKGLSA-N 1 0 738.329 6.068 1 0 KKAFRO CCCC[NH+]1CCN(C(=O)[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000028713472 561954097 /nfs/dbraw/zinc/95/40/97/561954097.db2.gz NYLWZZQAUICEQU-NOAMLQQSSA-N 1 0 717.789 5.121 1 0 KKAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[N@@H+]2C[C@@H](C)N(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1 ZINC000028762237 561958453 /nfs/dbraw/zinc/95/84/53/561958453.db2.gz SZFYNVCLGPAKLJ-OXYPMYLPSA-N 1 0 513.682 5.582 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@](CCC[NH+]2CCC3(CN(c4ccccc4)NC3=O)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028765061 561959352 /nfs/dbraw/zinc/95/93/52/561959352.db2.gz HPPQGIFLKZFURI-XIFFEERXSA-N 1 0 605.610 6.581 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CCC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)CC2)c2ccccc21 ZINC000028765145 561959382 /nfs/dbraw/zinc/95/93/82/561959382.db2.gz ZLPGKEGAFJLKOK-XIFFEERXSA-N 1 0 640.677 6.647 1 0 KKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000028765290 561959530 /nfs/dbraw/zinc/95/95/30/561959530.db2.gz NCJWLSWXMPGOIS-MGBGTMOVSA-N 1 0 577.596 7.570 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028771770 561961520 /nfs/dbraw/zinc/96/15/20/561961520.db2.gz JCESPGJQSJLSHD-HWFRFQLBSA-N 1 0 558.719 5.768 1 0 KKAFRO C[C@H]1C[C@@H]([NH+]2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816540 561964203 /nfs/dbraw/zinc/96/42/03/561964203.db2.gz XUGYKOAXOOAKME-ZKUUNIAOSA-N 1 0 610.167 6.378 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816535 561964238 /nfs/dbraw/zinc/96/42/38/561964238.db2.gz ZIKGOADCTDQKTA-IAPPQJPRSA-N 1 0 596.140 5.990 1 0 KKAFRO Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CC[NH+](C(C)(C)C)CC3)N(O)C=O)cc2)c2ccccc2n1 ZINC000028816859 561964393 /nfs/dbraw/zinc/96/43/93/561964393.db2.gz BUDIJDXJWOVXRJ-RUZDIDTESA-N 1 0 553.725 5.013 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)C2C(C)(C)C2(C)C)CC3)c1 ZINC000028823024 561967670 /nfs/dbraw/zinc/96/76/70/561967670.db2.gz XHUMTSAYRBZEAT-HSZRJFAPSA-N 1 0 512.742 6.196 1 0 KKAFRO CC(=O)c1ccccc1Nc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCC[NH+]1CCCCC1 ZINC000028823399 561967976 /nfs/dbraw/zinc/96/79/76/561967976.db2.gz IJVBZPDXLJKLHM-UHFFFAOYSA-N 1 0 559.799 7.393 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823420 561968067 /nfs/dbraw/zinc/96/80/67/561968067.db2.gz VWWZJKPTRDMLGO-UHFFFAOYSA-N 1 0 609.859 8.983 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccsc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823425 561968079 /nfs/dbraw/zinc/96/80/79/561968079.db2.gz DSOTYUUCKMODPX-UHFFFAOYSA-N 1 0 523.791 7.252 1 0 KKAFRO CC[NH+](CC)[C@@H](CC(C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823894 561968572 /nfs/dbraw/zinc/96/85/72/561968572.db2.gz XYHMIFWCJKCCQZ-URLMMPGGSA-N 1 0 605.626 6.444 1 0 KKAFRO CCN(CC)CC[NH2+][C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823904 561968587 /nfs/dbraw/zinc/96/85/87/561968587.db2.gz QIYPSKLPQCIXMB-XDFJSJKPSA-N 1 0 648.695 6.033 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824403 561969612 /nfs/dbraw/zinc/96/96/12/561969612.db2.gz UICMMSAIQRJHOD-HSZRJFAPSA-N 1 0 647.039 5.006 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028824401 561969681 /nfs/dbraw/zinc/96/96/81/561969681.db2.gz HZRPYRWADRQXAF-XMMPIXPASA-N 1 0 600.085 5.849 1 0 KKAFRO CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c([C@H]([NH3+])CC(C)C)cccc2C(F)(F)F)CC1 ZINC000028825743 561970925 /nfs/dbraw/zinc/97/09/25/561970925.db2.gz VCYQUYLEPZOHOU-DNQXCXABSA-N 1 0 573.487 5.454 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc43)CC2)CC1 ZINC000028826074 561971137 /nfs/dbraw/zinc/97/11/37/561971137.db2.gz HXMKUPKOACAOKF-UHFFFAOYSA-N 1 0 660.730 9.589 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C(=O)CCCc3c[nH]c4ccccc34)[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000028826098 561971169 /nfs/dbraw/zinc/97/11/69/561971169.db2.gz FKFNETKTGLNWAG-SAURUTFWSA-N 1 0 525.781 7.343 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(C/C=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826101 561971178 /nfs/dbraw/zinc/97/11/78/561971178.db2.gz LARYQDQZTRPLKM-JXMROGBWSA-N 1 0 511.754 7.499 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827054 561971540 /nfs/dbraw/zinc/97/15/40/561971540.db2.gz BDKKUJXOTBQXCJ-VBEDXHCZSA-N 1 0 578.606 5.669 1 0 KKAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)NC(=O)OCc2ccccc2)cc1 ZINC000028869512 561973745 /nfs/dbraw/zinc/97/37/45/561973745.db2.gz DZZJIIDXFNEDSI-HKBQPEDESA-N 1 0 658.652 6.055 1 0 KKAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]([NH3+])Cc3ccccc3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870531 561974006 /nfs/dbraw/zinc/97/40/06/561974006.db2.gz ZPQUPYAMVNDHEC-GJJQDPDKSA-N 1 0 600.767 5.152 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879741 561976550 /nfs/dbraw/zinc/97/65/50/561976550.db2.gz SMFQFPRZNCDEKA-WDYNHAJCSA-N 1 0 623.713 6.147 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879733 561976558 /nfs/dbraw/zinc/97/65/58/561976558.db2.gz SMFQFPRZNCDEKA-VMPREFPWSA-N 1 0 623.713 6.147 1 0 KKAFRO CCC(CO)(CO)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2OC)cc1 ZINC000028874732 561975272 /nfs/dbraw/zinc/97/52/72/561975272.db2.gz GESRIVPGFRPYOZ-UHFFFAOYSA-N 1 0 573.778 5.618 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879280 561976156 /nfs/dbraw/zinc/97/61/56/561976156.db2.gz ULTXWBYNFDFCHD-URLMMPGGSA-N 1 0 604.188 6.383 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028879172 561976181 /nfs/dbraw/zinc/97/61/81/561976181.db2.gz CKYOUSJBAOMLEO-BYGVMDBSSA-N 1 0 582.113 5.455 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(C)C ZINC000028825202 561970503 /nfs/dbraw/zinc/97/05/03/561970503.db2.gz SSKNMQIMSPFPDK-MHZLTWQESA-N 1 0 576.807 5.297 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887216 561977818 /nfs/dbraw/zinc/97/78/18/561977818.db2.gz LFEZDWBBQLHEMC-HSZRJFAPSA-N 1 0 565.589 7.949 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cccc(OCC[NH+]3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000028892297 561978304 /nfs/dbraw/zinc/97/83/04/561978304.db2.gz KQDKIAODLBHRJT-XMMPIXPASA-N 1 0 525.693 6.085 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892326 561978310 /nfs/dbraw/zinc/97/83/10/561978310.db2.gz DMVLBCHMRVTYOT-WJOKGBTCSA-N 1 0 629.845 7.997 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(C2CCCCC2)n1C ZINC000028897654 561979403 /nfs/dbraw/zinc/97/94/03/561979403.db2.gz ZLKBASGPUKQPQI-UHFFFAOYSA-N 1 0 585.139 6.282 1 0 KKAFRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898403 561979500 /nfs/dbraw/zinc/97/95/00/561979500.db2.gz JJIGRATYXIQCKI-HNNXBMFYSA-N 1 0 549.995 5.748 1 0 KKAFRO CC(C)[N@@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@@H](O)c1ccccc1 ZINC000028901352 561979881 /nfs/dbraw/zinc/97/98/81/561979881.db2.gz VZWZQSHHQNIRAG-RUZDIDTESA-N 1 0 524.086 5.127 1 0 KKAFRO O=C(N[C@@H](COCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957802 561983453 /nfs/dbraw/zinc/98/34/53/561983453.db2.gz DPZMOLHCLHNTCX-MHZLTWQESA-N 1 0 523.464 6.274 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@H]3CCCC[N@H+]3CC(C)C)n2)s1 ZINC000028961209 561984086 /nfs/dbraw/zinc/98/40/86/561984086.db2.gz OYFNKNKHBNWRMV-JOCHJYFZSA-N 1 0 598.695 7.445 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C3=CC[NH2+]CC3)n2)s1 ZINC000028961179 561984093 /nfs/dbraw/zinc/98/40/93/561984093.db2.gz SSQBQOWLNNLZPE-UHFFFAOYSA-N 1 0 511.529 5.900 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4C[NH+]4CCCC4)cc3)cc12 ZINC000029037692 561988741 /nfs/dbraw/zinc/98/87/41/561988741.db2.gz AALHKJFWUSBUMO-UHFFFAOYSA-N 1 0 545.565 6.303 1 0 KKAFRO O=C(Nc1nc2ccc(C(=O)N3CCC([NH2+]Cc4ccc5ccccc5c4)CC3)cc2s1)C1CCCCC1 ZINC000028967538 561985255 /nfs/dbraw/zinc/98/52/55/561985255.db2.gz LQNHDSJHURVIKP-UHFFFAOYSA-N 1 0 526.706 6.363 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000028968381 561985522 /nfs/dbraw/zinc/98/55/22/561985522.db2.gz FDKPPPRYYPDLJW-GHJOZJBHSA-N 1 0 653.823 6.881 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975198 561986378 /nfs/dbraw/zinc/98/63/78/561986378.db2.gz HUEIIQRYVMJFKL-WMTXJRDZSA-N 1 0 573.735 5.105 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975235 561986387 /nfs/dbraw/zinc/98/63/87/561986387.db2.gz VZAFNNYJNKDUHB-VXQMPNGUSA-N 1 0 583.774 5.277 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]CCc3ccccc3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976301 561986744 /nfs/dbraw/zinc/98/67/44/561986744.db2.gz VCMASJJHEZFVSU-SSEXGKCCSA-N 1 0 534.685 5.926 1 0 KKAFRO COc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976246 561986746 /nfs/dbraw/zinc/98/67/46/561986746.db2.gz ORFHNVHFZNOITK-PMERELPUSA-N 1 0 550.684 6.257 1 0 KKAFRO COc1ccc(NC(=O)[C@H]([NH2+]C2CCCCC2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976241 561986768 /nfs/dbraw/zinc/98/67/68/561986768.db2.gz AAUVEKTZXPAQPR-MUUNZHRXSA-N 1 0 528.678 6.347 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C[S@@](=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039292 561989661 /nfs/dbraw/zinc/98/96/61/561989661.db2.gz TVUMGACZYNEAHR-OIIUVLMBSA-N 1 0 556.094 5.216 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC(c3ccncn3)CC2)C1 ZINC000029041156 561991103 /nfs/dbraw/zinc/99/11/03/561991103.db2.gz VAKGFJFMMQQEIE-RDGATRHJSA-N 1 0 542.568 6.205 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000029042926 561991789 /nfs/dbraw/zinc/99/17/89/561991789.db2.gz BKPWIYNAJFNIBS-DSPMFFIESA-N 1 0 574.209 7.301 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043544 561992085 /nfs/dbraw/zinc/99/20/85/561992085.db2.gz AZYLFDYQQJPDQC-XQFUHLNNSA-N 1 0 593.039 7.454 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029044840 561992255 /nfs/dbraw/zinc/99/22/55/561992255.db2.gz NSPIJDJLOBXXMH-PUNHFCBRSA-N 1 0 619.615 5.339 1 0 KKAFRO CC(=O)NC[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029045918 561992716 /nfs/dbraw/zinc/99/27/16/561992716.db2.gz OIDRKZCFSVOPSB-HDJDAXJMSA-N 1 0 552.641 5.221 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccncc4)c3=O)CC2)C(C)C)c1 ZINC000029062200 561995885 /nfs/dbraw/zinc/99/58/85/561995885.db2.gz AYYSGMZEWUNOSV-PMERELPUSA-N 1 0 528.697 5.694 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123673 561996992 /nfs/dbraw/zinc/99/69/92/561996992.db2.gz YMKNGMZECOSVRW-UHFFFAOYSA-N 1 0 568.480 5.050 1 0 KKAFRO [NH3+]CCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125345 561997471 /nfs/dbraw/zinc/99/74/71/561997471.db2.gz GGVSUJZXQKWIMG-UHFFFAOYSA-N 1 0 530.839 5.462 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(n5ncc6c5ncnc6N)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125657 561997823 /nfs/dbraw/zinc/99/78/23/561997823.db2.gz UGUQLQRPEDJAPE-UHFFFAOYSA-N 1 0 560.691 5.075 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(n5cc(-c6ccccn6)cn5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125703 561997910 /nfs/dbraw/zinc/99/79/10/561997910.db2.gz FHJUGOOSLGTUSW-UHFFFAOYSA-N 1 0 570.726 6.612 1 0 KKAFRO CCC[C@H]1CC[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N(CCC)CCC)c2)C1 ZINC000029129011 562001578 /nfs/dbraw/zinc/00/15/78/562001578.db2.gz MMSXGVAPNNIHSW-GEYQZXRLSA-N 1 0 557.726 5.406 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126964 561999264 /nfs/dbraw/zinc/99/92/64/561999264.db2.gz IZTNHWMAUPLTML-QJJDOSOUSA-N 1 0 510.037 5.676 1 0 KKAFRO CCc1nc2cc3c(c(C)c2o1)CC[N@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127298 561999784 /nfs/dbraw/zinc/99/97/84/561999784.db2.gz DYDLMZLLICKPBG-UHFFFAOYSA-N 1 0 540.737 6.324 1 0 KKAFRO Cc1nc2cc3c(cc2o1)CC[N@@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127366 561999863 /nfs/dbraw/zinc/99/98/63/561999863.db2.gz XJLKTBWZJKVXJX-UHFFFAOYSA-N 1 0 501.578 5.534 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4ccc5nc(C(F)(F)F)oc5c4CC3)n2C)n1 ZINC000029127525 561999972 /nfs/dbraw/zinc/99/99/72/561999972.db2.gz GGTFAVLCBBVKHN-UHFFFAOYSA-N 1 0 552.626 6.082 1 0 KKAFRO CC(C)[NH2+]C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000029127765 562000272 /nfs/dbraw/zinc/00/02/72/562000272.db2.gz PTJIGZFENPOXHR-PMERELPUSA-N 1 0 536.717 5.327 1 0 KKAFRO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@H]2CCC[NH2+]2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029130016 562002235 /nfs/dbraw/zinc/00/22/35/562002235.db2.gz ONFQHFUVRJPWCM-RCZVLFRGSA-N 1 0 594.653 6.980 1 0 KKAFRO CC(C)N(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000029132423 562003404 /nfs/dbraw/zinc/00/34/04/562003404.db2.gz OFIRSLWDIXXKGW-UHFFFAOYSA-N 1 0 514.091 5.206 1 0 KKAFRO CN(CCC[N@H+](C)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000029204890 562005020 /nfs/dbraw/zinc/00/50/20/562005020.db2.gz KHSMGYQVKLZDEX-UHFFFAOYSA-N 1 0 628.685 5.631 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccc(=O)[nH]c3c2)cc1 ZINC000029207014 562005346 /nfs/dbraw/zinc/00/53/46/562005346.db2.gz FGRRSMOVWCCRRC-MVSFAKPFSA-N 1 0 528.649 5.185 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 ZINC000029218545 562006821 /nfs/dbraw/zinc/00/68/21/562006821.db2.gz HCRWXYFCVVDWAC-YTTGMZPUSA-N 1 0 605.720 5.542 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330494 562013866 /nfs/dbraw/zinc/01/38/66/562013866.db2.gz WVXGQIOPZMEAOO-KAYWLYCHSA-N 1 0 523.489 5.777 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[NH+]3CCC4(CC3)NCCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029332444 562013941 /nfs/dbraw/zinc/01/39/41/562013941.db2.gz JCESZKTUENPOBS-PSXMRANNSA-N 1 0 634.692 7.411 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[NH+]3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335843 562014313 /nfs/dbraw/zinc/01/43/13/562014313.db2.gz IGQDYUQVXOOQQK-PSXMRANNSA-N 1 0 648.675 6.937 1 0 KKAFRO Cc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029341465 562015271 /nfs/dbraw/zinc/01/52/71/562015271.db2.gz HOEDNINDIRCVBG-QHCPKHFHSA-N 1 0 502.467 6.139 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345916 562016255 /nfs/dbraw/zinc/01/62/55/562016255.db2.gz BHGNIOZAEHGIME-AUXIDLRRSA-N 1 0 700.969 5.158 1 0 KKAFRO Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCCCC2)C1=O ZINC000029393140 562017924 /nfs/dbraw/zinc/01/79/24/562017924.db2.gz QWPTWEITGXRTNL-VAVYLYDRSA-N 1 0 626.050 5.597 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029411263 562021776 /nfs/dbraw/zinc/02/17/76/562021776.db2.gz WKBQEUVIROESGL-UHFFFAOYSA-N 1 0 586.802 6.214 1 0 KKAFRO CC(=O)OCN1CN(c2ccccc2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029481861 562027485 /nfs/dbraw/zinc/02/74/85/562027485.db2.gz UOFBAEFTNCFWSZ-UHFFFAOYSA-N 1 0 548.634 5.155 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029412370 562022022 /nfs/dbraw/zinc/02/20/22/562022022.db2.gz JUYUKGHZJBRVAK-UHFFFAOYSA-N 1 0 510.726 6.368 1 0 KKAFRO CC(=O)N[C@H](CC(C)C)C(=O)N(CCCCCO)C1(C(=O)NC=Cc2c[nH]c3cc(OCc4ccccc4)ncc23)CC[NH+](Cc2ccccc2)CC1 ZINC000029415401 562022800 /nfs/dbraw/zinc/02/28/00/562022800.db2.gz SQSVOFDMRHXEJA-WFTXCDTGSA-N 1 0 722.931 5.806 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)c4cnccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029416489 562023005 /nfs/dbraw/zinc/02/30/05/562023005.db2.gz YHIBXEIBSOLHKK-HXUWFJFHSA-N 1 0 532.044 5.831 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029416883 562023024 /nfs/dbraw/zinc/02/30/24/562023024.db2.gz UTPROECUJCZSGW-UHFFFAOYSA-N 1 0 560.764 5.680 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(CC(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029462167 562023254 /nfs/dbraw/zinc/02/32/54/562023254.db2.gz OFPQUYNEJTTZNE-VSGBNLITSA-N 1 0 628.883 6.920 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@H]4C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029463144 562023435 /nfs/dbraw/zinc/02/34/35/562023435.db2.gz RQVXMBCNJPEXBI-CLJLJLNGSA-N 1 0 522.737 7.015 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4C5CCC4CC5)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029463597 562023514 /nfs/dbraw/zinc/02/35/14/562023514.db2.gz CMXZCNYOUKKCCJ-UHFFFAOYSA-N 1 0 520.721 6.769 1 0 KKAFRO CCOC(=O)C1=C(COCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029463658 562023544 /nfs/dbraw/zinc/02/35/44/562023544.db2.gz LKVXLSYXZNNVFV-UFEOWHGLSA-N 1 0 602.559 5.619 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4cnccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029464012 562023628 /nfs/dbraw/zinc/02/36/28/562023628.db2.gz ADRCRSPDCZNNQH-HXUWFJFHSA-N 1 0 547.059 6.223 1 0 KKAFRO C[NH2+]C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C ZINC000029465086 562024075 /nfs/dbraw/zinc/02/40/75/562024075.db2.gz SMWBVXOIQBMPKQ-PMERELPUSA-N 1 0 555.682 5.946 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465324 562024190 /nfs/dbraw/zinc/02/41/90/562024190.db2.gz SECFZHGJDQJKBR-HNRBIFIRSA-N 1 0 564.818 7.679 1 0 KKAFRO Cc1ccc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)cc1C ZINC000029465665 562024268 /nfs/dbraw/zinc/02/42/68/562024268.db2.gz ZFWDPFBHEBNOQK-FQEVSTJZSA-N 1 0 532.044 5.831 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000029466601 562024446 /nfs/dbraw/zinc/02/44/46/562024446.db2.gz NOFBGGXDUUYWHJ-UHFFFAOYSA-N 1 0 667.295 5.278 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ncccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029466588 562024451 /nfs/dbraw/zinc/02/44/51/562024451.db2.gz KRIBVWJKLFAVAH-FQEVSTJZSA-N 1 0 547.059 6.223 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4cccnc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029467131 562024644 /nfs/dbraw/zinc/02/46/44/562024644.db2.gz JTXQMDDPDFIHBE-OAQYLSRUSA-N 1 0 546.071 6.828 1 0 KKAFRO CCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029468218 562024935 /nfs/dbraw/zinc/02/49/35/562024935.db2.gz VQDPEMCLNKQMGN-UHFFFAOYSA-N 1 0 517.095 6.815 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469748 562025307 /nfs/dbraw/zinc/02/53/07/562025307.db2.gz TYZXLZNJKGHJKW-LSTSWFKTSA-N 1 0 610.639 7.057 1 0 KKAFRO CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029469707 562025316 /nfs/dbraw/zinc/02/53/16/562025316.db2.gz GZPUBUNYFARCTO-UHFFFAOYSA-N 1 0 557.160 7.738 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029475466 562026465 /nfs/dbraw/zinc/02/64/65/562026465.db2.gz OGLNCNGICKDUAN-COCZKOEFSA-N 1 0 702.984 7.482 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)CC1CCCCC1 ZINC000029479634 562027054 /nfs/dbraw/zinc/02/70/54/562027054.db2.gz WYBYOEYFMXNFFD-CONSDPRKSA-N 1 0 549.800 6.134 1 0 KKAFRO O=C(/C=C/c1ccc(I)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029482999 562027744 /nfs/dbraw/zinc/02/77/44/562027744.db2.gz KFOUGXSHWRAJCS-JLHYYAGUSA-N 1 0 541.477 5.952 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@H+](C)C1CCCCC1 ZINC000029487545 562028731 /nfs/dbraw/zinc/02/87/31/562028731.db2.gz KIJRQKDWYMGQST-ACHIHNKUSA-N 1 0 547.784 5.985 1 0 KKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000029489120 562029115 /nfs/dbraw/zinc/02/91/15/562029115.db2.gz YWPYDTRIUZIRJB-YTTGMZPUSA-N 1 0 533.760 8.541 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C[C@H](COCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029489962 562029177 /nfs/dbraw/zinc/02/91/77/562029177.db2.gz ICAIEGHMXOMWIC-RUZDIDTESA-N 1 0 588.601 5.482 1 0 KKAFRO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 ZINC000029544449 562029367 /nfs/dbraw/zinc/02/93/67/562029367.db2.gz CFONIDIWOGRLGV-PGSFLWIGSA-N 1 0 679.858 6.749 1 0 KKAFRO Cc1ccc(CO[C@@H]2[C@@H](COCCCCC[NH3+])O[C@@H](OCCc3c[nH]c4ccccc34)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cn1 ZINC000029550517 562030929 /nfs/dbraw/zinc/03/09/29/562030929.db2.gz SJNFSHRBTTZJLS-QBLDGPCBSA-N 1 0 693.885 7.057 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554681 562031821 /nfs/dbraw/zinc/03/18/21/562031821.db2.gz SILLYOVKLCANFF-PMERELPUSA-N 1 0 582.719 5.311 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556316 562032234 /nfs/dbraw/zinc/03/22/34/562032234.db2.gz SPFGPGBVMIWKQQ-SSEXGKCCSA-N 1 0 582.744 5.488 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)(C(=O)O[C@@H](C)OC(=O)C(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561910 562033456 /nfs/dbraw/zinc/03/34/56/562033456.db2.gz JWTAFQLIDQSBBE-VWEIPLKFSA-N 1 0 678.175 5.019 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@H](C)c1ccccc1)(C(=O)O[C@H](C)c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563424 562033745 /nfs/dbraw/zinc/03/37/45/562033745.db2.gz KRVMSMVZLFOBIC-BHUVWSLTSA-N 1 0 630.137 6.671 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@@H](C)OC(=O)c1ccccc1)(C(=O)O[C@@H](C)OC(=O)c1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563837 562033922 /nfs/dbraw/zinc/03/39/22/562033922.db2.gz HCQVPOVNXYRCSM-HSFWNXDSSA-N 1 0 718.155 5.554 1 0 KKAFRO O=C(COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1)N1CCCCC1 ZINC000029565801 562034344 /nfs/dbraw/zinc/03/43/44/562034344.db2.gz MPCKVVRSQWOLIU-UHFFFAOYSA-N 1 0 569.725 5.734 1 0 KKAFRO CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000029566258 562034437 /nfs/dbraw/zinc/03/44/37/562034437.db2.gz CGOIQOHYFAKMEL-DHUJRADRSA-N 1 0 640.875 7.661 1 0 KKAFRO CC(=O)NCCC1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029566233 562034469 /nfs/dbraw/zinc/03/44/69/562034469.db2.gz GBOCBIASBIMNAJ-DEOSSOPVSA-N 1 0 504.502 5.478 1 0 KKAFRO COc1cc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc(OC)c1OC ZINC000029568617 562034898 /nfs/dbraw/zinc/03/48/98/562034898.db2.gz DTPDYJYLYBXNOF-UHFFFAOYSA-N 1 0 500.643 5.229 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000029569094 562035185 /nfs/dbraw/zinc/03/51/85/562035185.db2.gz ZTKZFZLVPHFIRG-UHFFFAOYSA-N 1 0 534.679 6.922 1 0 KKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755080 562037589 /nfs/dbraw/zinc/03/75/89/562037589.db2.gz CEWVFZWVXADRCT-XZOQPEGZSA-N 1 0 513.788 8.197 1 0 KKAFRO C[C@@H](OCC1(c2ccccc2)CC([NH2+]Cc2ccccc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034272647 562038502 /nfs/dbraw/zinc/03/85/02/562038502.db2.gz QHCKTDLGDHQAID-ILPVEIHGSA-N 1 0 507.518 7.692 1 0 KKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000034753267 562040428 /nfs/dbraw/zinc/04/04/28/562040428.db2.gz VPSFNIDXLTWLCB-UHFFFAOYSA-N 1 0 521.596 6.442 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)NCc2cccc(O)c2)ccc1OC(C)C ZINC000034786171 562040587 /nfs/dbraw/zinc/04/05/87/562040587.db2.gz PTSNBKYZXGMEJT-HHHXNRCGSA-N 1 0 500.599 5.178 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-n3cccc3)cc2)cc1 ZINC000034802933 562042247 /nfs/dbraw/zinc/04/22/47/562042247.db2.gz PKAFZIXYLJTMNU-UHFFFAOYSA-N 1 0 501.759 7.755 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccncc3)cn2)cc1 ZINC000034802945 562042284 /nfs/dbraw/zinc/04/22/84/562042284.db2.gz UMPJKFOAKIXDKO-UHFFFAOYSA-N 1 0 514.758 7.421 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+]2CCC(Cc3ccccc3)CC2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802988 562042378 /nfs/dbraw/zinc/04/23/78/562042378.db2.gz YNCPOSDOEJVCPT-UHFFFAOYSA-N 1 0 602.819 8.412 1 0 KKAFRO CC(C)(Cc1c[nH]c2ccccc12)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803810 562042664 /nfs/dbraw/zinc/04/26/64/562042664.db2.gz VNABIAHDXXGREU-JKFCTSDTSA-N 1 0 569.709 6.965 1 0 KKAFRO CCc1c(C)[nH]c(CC(C)(C)[C@@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)c1C ZINC000034803853 562042673 /nfs/dbraw/zinc/04/26/73/562042673.db2.gz FQANANWHOBZDJS-UVMFRMCBSA-N 1 0 575.757 6.991 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)n1 ZINC000034803992 562042859 /nfs/dbraw/zinc/04/28/59/562042859.db2.gz IPPCSGWUBIZOOZ-PMERELPUSA-N 1 0 605.695 5.350 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034804064 562042875 /nfs/dbraw/zinc/04/28/75/562042875.db2.gz JMUOMUDAWFHUPQ-MHZLTWQESA-N 1 0 637.659 5.258 1 0 KKAFRO C[C@H]1CCCC[N@@H+]1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804125 562042910 /nfs/dbraw/zinc/04/29/10/562042910.db2.gz UIHDKMQRDLGFQA-JTSKRJEESA-N 1 0 501.515 5.546 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 ZINC000034804290 562043079 /nfs/dbraw/zinc/04/30/79/562043079.db2.gz GKIYQHDLNRLZLS-HHHXNRCGSA-N 1 0 578.641 7.988 1 0 KKAFRO CC(=O)N1CCC[C@H]([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804307 562043091 /nfs/dbraw/zinc/04/30/91/562043091.db2.gz JKIMXRFLUDBYCX-LBNVMWSVSA-N 1 0 621.666 6.666 1 0 KKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(N2CCCCC2)c1 ZINC000036126771 562047634 /nfs/dbraw/zinc/04/76/34/562047634.db2.gz IOOYDBYUMRWAKN-UHFFFAOYSA-N 1 0 539.467 5.770 1 0 KKAFRO CCOC(=O)C1CCN(C(=[NH2+])c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000036126800 562047723 /nfs/dbraw/zinc/04/77/23/562047723.db2.gz RCPPIXKCGKNPKY-UHFFFAOYSA-N 1 0 568.461 5.493 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]C3CCC(C)(C)CC3)C2)C1 ZINC000036151867 562048359 /nfs/dbraw/zinc/04/83/59/562048359.db2.gz OWBWZSMKDNGWIL-RPWUZVMVSA-N 1 0 566.768 5.085 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160548 562048530 /nfs/dbraw/zinc/04/85/30/562048530.db2.gz VTGXHIKOJDKECN-VTIYRKAUSA-N 1 0 610.843 7.833 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000036161410 562048694 /nfs/dbraw/zinc/04/86/94/562048694.db2.gz VYLOGAOFLQLXBN-BHDXBOSCSA-N 1 0 573.803 6.369 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175777 562048980 /nfs/dbraw/zinc/04/89/80/562048980.db2.gz GVQOZPIUVJHSCK-OAQYLSRUSA-N 1 0 533.521 6.815 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(C(F)(F)F)c2)C1 ZINC000035803270 562045379 /nfs/dbraw/zinc/04/53/79/562045379.db2.gz GEUJKUOGQLWBLE-FULLSBAXSA-N 1 0 541.699 5.690 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000035822162 562045526 /nfs/dbraw/zinc/04/55/26/562045526.db2.gz ICHSQGVMXMADMI-OFSOJUDTSA-N 1 0 524.665 6.520 1 0 KKAFRO Cc1ccc(C[NH+]2CCN(C3=Nc4cc(Cl)ccc4N(NC(=O)c4ccccc4Cl)c4ccccc43)CC2)c(C)c1 ZINC000036188199 562050865 /nfs/dbraw/zinc/05/08/65/562050865.db2.gz SSGXOSRVRMKOMB-UHFFFAOYSA-N 1 0 584.551 7.303 1 0 KKAFRO CC(C)C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284782 562053516 /nfs/dbraw/zinc/05/35/16/562053516.db2.gz XGEGHRUJBTWJCS-GQUWGDPSSA-N 1 0 579.229 5.933 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)c(OC)c2Cl)CC1 ZINC000036285410 562054065 /nfs/dbraw/zinc/05/40/65/562054065.db2.gz RQLADVKDBKSJGJ-NSYGIPOTSA-N 1 0 542.042 5.703 1 0 KKAFRO COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1OC ZINC000036285540 562054185 /nfs/dbraw/zinc/05/41/85/562054185.db2.gz JKIZJDWIBUAMCN-QFIPXVFZSA-N 1 0 507.597 5.050 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000036285508 562054218 /nfs/dbraw/zinc/05/42/18/562054218.db2.gz VMXQPMPZXHOUFJ-QFIPXVFZSA-N 1 0 516.435 6.340 1 0 KKAFRO CC[C@H](C)[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285496 562054282 /nfs/dbraw/zinc/05/42/82/562054282.db2.gz RETXHZDMGJHDNV-MYUZEXMDSA-N 1 0 587.514 5.846 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000036285653 562054314 /nfs/dbraw/zinc/05/43/14/562054314.db2.gz UVGWIQHCENMBME-FQEVSTJZSA-N 1 0 518.407 5.786 1 0 KKAFRO CC[C@H](C)[C@H](NC[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285684 562054323 /nfs/dbraw/zinc/05/43/23/562054323.db2.gz TUVLNWRHXNOMHI-LASKTHCNSA-N 1 0 599.569 6.722 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CSc2ccc(Cl)cc2Cl)CC1 ZINC000036285670 562054358 /nfs/dbraw/zinc/05/43/58/562054358.db2.gz CCVRJEFLLMNIBG-FQEVSTJZSA-N 1 0 534.475 6.499 1 0 KKAFRO CC[NH2+][C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1)[C@@H](C)CC ZINC000036285595 562054365 /nfs/dbraw/zinc/05/43/65/562054365.db2.gz WPUJAXJNCWKVQY-QYBDOPJKSA-N 1 0 544.489 6.990 1 0 KKAFRO Cc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285934 562054517 /nfs/dbraw/zinc/05/45/17/562054517.db2.gz XXXMEESVGWHJSN-CYFREDJKSA-N 1 0 510.044 6.241 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1 ZINC000036285836 562054522 /nfs/dbraw/zinc/05/45/22/562054522.db2.gz LEEZXXVWCIZSBN-HXOBKFHXSA-N 1 0 514.007 6.071 1 0 KKAFRO CC[C@H](C)[C@H]([NH2+]CCc1ccccc1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285811 562054571 /nfs/dbraw/zinc/05/45/71/562054571.db2.gz IFXWGARQBJZOGX-UDNBHOFDSA-N 1 0 620.587 8.213 1 0 KKAFRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294663 562054744 /nfs/dbraw/zinc/05/47/44/562054744.db2.gz MUAQEKVYFBHQJO-HXUWFJFHSA-N 1 0 526.855 5.899 1 0 KKAFRO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351498 562058454 /nfs/dbraw/zinc/05/84/54/562058454.db2.gz PVIPSFPLLZFEEP-VMPREFPWSA-N 1 0 593.143 6.177 1 0 KKAFRO COC(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351541 562058552 /nfs/dbraw/zinc/05/85/52/562058552.db2.gz VTHCMTQNHHNLEM-PIRIWWGTSA-N 1 0 576.635 5.223 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCc3ccccc3)C2)C1 ZINC000036351626 562058780 /nfs/dbraw/zinc/05/87/80/562058780.db2.gz KCGLVUGMAHUWQK-WDYNHAJCSA-N 1 0 564.652 5.545 1 0 KKAFRO O=C(CN1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351654 562058845 /nfs/dbraw/zinc/05/88/45/562058845.db2.gz AOGVTUDRZQZUJZ-XIFFEERXSA-N 1 0 631.475 9.160 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000036378318 562059640 /nfs/dbraw/zinc/05/96/40/562059640.db2.gz XSULJBUFDAGKHO-WNCULLNHSA-N 1 0 534.741 6.863 3 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCC[NH+]4CCCCC4)cc3)n2)c(OC)c1 ZINC000036758582 562061484 /nfs/dbraw/zinc/06/14/84/562061484.db2.gz DPLQMNPQGDUUNM-UHFFFAOYSA-N 1 0 597.716 7.056 1 0 KKAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)N(C)CC[NH+](C)C)C(C)C ZINC000036774669 562061604 /nfs/dbraw/zinc/06/16/04/562061604.db2.gz MANLQMSVKREPRE-NHILRDKKSA-N 1 0 725.983 5.359 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1ccc(Br)cc1 ZINC000038139871 562062710 /nfs/dbraw/zinc/06/27/10/562062710.db2.gz OANJYKSQKYJMDO-SANMLTNESA-N 1 0 534.454 5.607 1 0 KKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000038141652 562063313 /nfs/dbraw/zinc/06/33/13/562063313.db2.gz YKBLRVYOYVWBGS-WDDWZANVSA-N 1 0 619.755 6.433 3 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCCC3CCCCC3)C2)C1 ZINC000038149532 562066007 /nfs/dbraw/zinc/06/60/07/562066007.db2.gz BNZZLFMHVLLCNS-IHLOFXLRSA-N 1 0 584.727 6.663 1 0 KKAFRO O=C(NCC[NH+]1CCCC1)c1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2c1 ZINC000038149702 562066213 /nfs/dbraw/zinc/06/62/13/562066213.db2.gz CVMUMFKQGWSATO-UHFFFAOYSA-N 1 0 529.065 5.746 1 0 KKAFRO CC(C)CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150645 562066446 /nfs/dbraw/zinc/06/64/46/562066446.db2.gz GBYYUEIXEOYDDW-SVBPBHIXSA-N 1 0 522.686 5.175 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000038151302 562066853 /nfs/dbraw/zinc/06/68/53/562066853.db2.gz NRNMREPCSKVNAK-JGCGQSQUSA-N 1 0 555.744 5.594 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157898 562069761 /nfs/dbraw/zinc/06/97/61/562069761.db2.gz JMMPSIYIASBLJI-UHFFFAOYSA-N 1 0 574.955 7.915 1 0 KKAFRO O=C(CNC1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157905 562069877 /nfs/dbraw/zinc/06/98/77/562069877.db2.gz VNRGGBQHBMTPMF-UHFFFAOYSA-N 1 0 574.062 7.627 1 0 KKAFRO CC[NH+]1CCN(CC(=O)Nc2cc(C)nc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc32)CC1 ZINC000040392343 562073666 /nfs/dbraw/zinc/07/36/66/562073666.db2.gz AJNHEEVPXLJFHK-UHFFFAOYSA-N 1 0 515.445 5.070 1 0 KKAFRO CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392925 562073868 /nfs/dbraw/zinc/07/38/68/562073868.db2.gz JRDUTWSFVKMJDC-HRFSGMKKSA-N 1 0 530.540 6.356 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([NH2+]Cc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040406558 562075105 /nfs/dbraw/zinc/07/51/05/562075105.db2.gz CBSYYIOBMXSLKK-HHHXNRCGSA-N 1 0 500.564 7.190 1 0 KKAFRO COCCCn1c2ccc(C[N@H+](C)C3CCCCC3)cc2nc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000040423783 562076276 /nfs/dbraw/zinc/07/62/76/562076276.db2.gz FPSXPFZKLNQOGJ-UHFFFAOYSA-N 1 0 502.581 6.108 1 0 KKAFRO COC[C@H]1CCC[N@@H+](C2CCN(c3nc4cc(OC)c(OC)cc4c(Nc4ccc(Cl)cc4)n3)CC2)C1 ZINC000040424252 562076460 /nfs/dbraw/zinc/07/64/60/562076460.db2.gz IUJUWXIRDRYWGN-IBGZPJMESA-N 1 0 526.081 5.371 1 0 KKAFRO O=C(N1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1)C(F)(F)F ZINC000040430003 562076724 /nfs/dbraw/zinc/07/67/24/562076724.db2.gz KLGLMVXXCWGYNY-XMMPIXPASA-N 1 0 509.410 5.784 1 0 KKAFRO O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(OC(F)(F)F)c(OCC[NH+]2CCCCC2)c1 ZINC000040566767 562077988 /nfs/dbraw/zinc/07/79/88/562077988.db2.gz NYOBYAUHHCOTRD-UHFFFAOYSA-N 1 0 515.359 6.187 1 0 KKAFRO Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040617236 562078572 /nfs/dbraw/zinc/07/85/72/562078572.db2.gz IGFMDPVCMXEVMZ-UHFFFAOYSA-N 1 0 519.472 7.399 1 0 KKAFRO CCc1c2ccc(OC)c(OCc3ccc(-c4ccccc4)cc3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040828063 562080034 /nfs/dbraw/zinc/08/00/34/562080034.db2.gz TZJCUQIOVVEJBO-UHFFFAOYSA-N 1 0 532.660 7.185 1 0 KKAFRO COc1ccc(C(OCC[NH2+]Cc2ccc(OC)c(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000040893341 562082918 /nfs/dbraw/zinc/08/29/18/562082918.db2.gz ABXMUSSRHPUIJT-UHFFFAOYSA-N 1 0 529.633 5.525 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H](C[C@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040897024 562083155 /nfs/dbraw/zinc/08/31/55/562083155.db2.gz VEPNEHUJRMVZLF-IRPSRAIASA-N 1 0 501.715 5.668 1 0 KKAFRO c1ccc2c(c1)cccc2CCc1cc(NCc2cccc3ccccc32)nc(NCc2cccc3ccccc32)[nH+]1 ZINC000042805576 562089216 /nfs/dbraw/zinc/08/92/16/562089216.db2.gz DZNCYCYKSMOVGF-UHFFFAOYSA-N 1 0 544.702 8.946 1 0 KKAFRO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+]1CCCCC1 ZINC000040919080 562084421 /nfs/dbraw/zinc/08/44/21/562084421.db2.gz YPXKZNDCBYWMOG-UHFFFAOYSA-N 1 0 502.446 5.681 1 0 KKAFRO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](C(C)C)CC1 ZINC000040936263 562085087 /nfs/dbraw/zinc/08/50/87/562085087.db2.gz OBHBVEPTCAFAQQ-UHFFFAOYSA-N 1 0 502.446 5.313 1 0 KKAFRO NC(=[NH2+])NCCc1cc2cc(NC(=O)CCc3ccc(O)cc3)ccc2n1CCc1ccc2ccccc2c1 ZINC000040936666 562085268 /nfs/dbraw/zinc/08/52/68/562085268.db2.gz WMEJDQOPUSKSFH-UHFFFAOYSA-N 1 0 519.649 5.340 1 0 KKAFRO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000040939380 562085668 /nfs/dbraw/zinc/08/56/68/562085668.db2.gz ASYGYICQARFNHW-UHFFFAOYSA-N 1 0 527.068 5.923 1 0 KKAFRO COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)[N@@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950063 562085917 /nfs/dbraw/zinc/08/59/17/562085917.db2.gz RWSZLMVCERHQGM-PPTMTGTBSA-N 1 0 506.646 6.019 1 0 KKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCCC1 ZINC000040951045 562085971 /nfs/dbraw/zinc/08/59/71/562085971.db2.gz MQIGEJLZKVQZSL-UPVQGACJSA-N 1 0 526.690 6.012 1 0 KKAFRO CCC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040954195 562086411 /nfs/dbraw/zinc/08/64/11/562086411.db2.gz GAWLGGFBSVEUMN-MWIHYIROSA-N 1 0 522.574 6.330 1 0 KKAFRO CC[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040956532 562086731 /nfs/dbraw/zinc/08/67/31/562086731.db2.gz GWYSPLBUEQXDCT-HWLQVEPHSA-N 1 0 508.547 5.940 1 0 KKAFRO CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(=O)C2CCCCC2)C2(Cc3ccc(O)c(OC)c3)CC[NH2+]CC2)CCCC1 ZINC000085596818 560063313 /nfs/dbraw/zinc/06/33/13/560063313.db2.gz XXNIYUNRXFHPFC-BHYZAODMSA-N 1 0 571.799 6.878 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCC4(C(C)C)CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532480 560072554 /nfs/dbraw/zinc/07/25/54/560072554.db2.gz DVOCEOVKCSYGGS-HLKIMZPFSA-N 1 0 589.817 7.295 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@H]4CCCC[C@@H]4CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532616 560072627 /nfs/dbraw/zinc/07/26/27/560072627.db2.gz ISCNFFNYRZMEAN-GWWPHXSHSA-N 1 0 527.746 6.462 1 0 biogenic,in-vitro KKAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532431 560072857 /nfs/dbraw/zinc/07/28/57/560072857.db2.gz NDUAAJIQFBCKLT-MRSWZEASSA-N 1 0 551.724 5.097 1 0 biogenic,in-vitro KKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000043022224 562645005 /nfs/dbraw/zinc/64/50/05/562645005.db2.gz CHRSFJCSCLETLV-AREMUKBSSA-N 1 0 514.567 6.146 1 0 KKAFRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000043023579 562645016 /nfs/dbraw/zinc/64/50/16/562645016.db2.gz AISACCGWYLBAMP-PXJZQJOASA-N 1 0 531.741 5.163 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc32)cc1 ZINC000043064305 562645279 /nfs/dbraw/zinc/64/52/79/562645279.db2.gz VDUUABBYYOPFAW-WMMMYUQOSA-N 1 0 616.709 6.386 1 0 in-vitro KKAFRO O=C1c2cccc3c(NC4CC[NH+](Cc5ccccc5)CC4)ccc(c32)C(=O)N1c1cccc(Br)c1 ZINC000043070221 562645505 /nfs/dbraw/zinc/64/55/05/562645505.db2.gz KGQNAINAEOIJHF-UHFFFAOYSA-N 1 0 540.461 6.479 1 0 KKAFRO CCCC[C@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071036 562645573 /nfs/dbraw/zinc/64/55/73/562645573.db2.gz ORCCEUNUHQADKD-SANMLTNESA-N 1 0 528.619 5.834 1 0 KKAFRO O=C(N[C@H](Cc1cnccn1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043080767 562645870 /nfs/dbraw/zinc/64/58/70/562645870.db2.gz SCNLJQQVOVIBKB-MUUNZHRXSA-N 1 0 548.613 5.534 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1 ZINC000043409079 562648204 /nfs/dbraw/zinc/64/82/04/562648204.db2.gz YDXARWPQNQHLAN-UHFFFAOYSA-N 1 0 545.573 5.871 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@](O)(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000043409132 562648231 /nfs/dbraw/zinc/64/82/31/562648231.db2.gz PTEAYHWSRKORAG-SSEXGKCCSA-N 1 0 541.610 6.334 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043450353 562648547 /nfs/dbraw/zinc/64/85/47/562648547.db2.gz BGOXVMFCSBFTSC-OZXSUGGESA-N 1 0 584.602 6.267 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)C1c2ccccc2Oc2ccccc21 ZINC000043532201 562649294 /nfs/dbraw/zinc/64/92/94/562649294.db2.gz WCIYEZZYWXTQFQ-UHFFFAOYSA-N 1 0 570.137 5.752 1 0 KKAFRO COc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)c1 ZINC000044281506 562653158 /nfs/dbraw/zinc/65/31/58/562653158.db2.gz BOVRTYYXYHNWRY-UHFFFAOYSA-N 1 0 561.722 8.801 1 0 KKAFRO O=C(CCCc1ccccc1)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305082 562653362 /nfs/dbraw/zinc/65/33/62/562653362.db2.gz QQNVIMGZEUSMBJ-QNGWXLTQSA-N 1 0 611.777 7.808 1 0 KKAFRO CCc1coc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044305790 562653539 /nfs/dbraw/zinc/65/35/39/562653539.db2.gz LXQLUGGTPKXSBK-LMSSTIIKSA-N 1 0 593.646 5.633 1 0 KKAFRO CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044305959 562653607 /nfs/dbraw/zinc/65/36/07/562653607.db2.gz GPRKGOQVWIWLPT-UHFFFAOYSA-N 1 0 637.796 5.253 1 0 KKAFRO O=C(Nc1ccc(Oc2ccnc3cc(-c4cn(CCC[NH+]5CCCC5)cn4)sc32)c(F)c1)N1CCN(c2ccccc2)C1=O ZINC000044350645 562654313 /nfs/dbraw/zinc/65/43/13/562654313.db2.gz HBNFTDDTRWSQBS-UHFFFAOYSA-N 1 0 625.730 7.051 1 0 KKAFRO COC(=O)[C@@H]1C/C=C/COc2cc3ccccc3c(c2)-c2c(ccc3ccccc32)OCCCC(=O)N[C@H](CCCC[NH3+])C(=O)N1 ZINC000044350977 562654461 /nfs/dbraw/zinc/65/44/61/562654461.db2.gz LGVOJSXZLSAKEK-JABHLCPHSA-N 1 0 623.750 5.429 1 0 KKAFRO O=C(C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000044351538 562654726 /nfs/dbraw/zinc/65/47/26/562654726.db2.gz DWJFVZZMQAIRPN-HJIQQCSTSA-N 1 0 580.794 6.967 1 0 KKAFRO CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044352127 562655010 /nfs/dbraw/zinc/65/50/10/562655010.db2.gz MNPDPMNKAYGXBM-UHFFFAOYSA-N 1 0 623.769 5.065 1 0 KKAFRO CCCC[C@@H]1CN(S(=O)(=O)c2ccccc2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044352129 562655020 /nfs/dbraw/zinc/65/50/20/562655020.db2.gz JWEYWQITSUWJQD-HHHXNRCGSA-N 1 0 581.827 5.071 1 0 KKAFRO CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044352439 562655147 /nfs/dbraw/zinc/65/51/47/562655147.db2.gz UOMLSLXBNUUSBV-DFHRPNOPSA-N 1 0 543.674 5.997 1 0 KKAFRO CCc1c2ccc(OC)c(OCc3ccc(OCc4ccccc4)cc3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000044358309 562655324 /nfs/dbraw/zinc/65/53/24/562655324.db2.gz AVKNQUCTKBRFAG-UHFFFAOYSA-N 1 0 562.686 7.097 1 0 KKAFRO Cc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000044358895 562655398 /nfs/dbraw/zinc/65/53/98/562655398.db2.gz ASTZQAAKBGEWAA-UHFFFAOYSA-N 1 0 545.723 9.101 1 0 KKAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000044359183 562655419 /nfs/dbraw/zinc/65/54/19/562655419.db2.gz RXUVLZOUFPXFFN-OQBISYOISA-N 1 0 613.762 5.332 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)C[N@H+](CCCc3ccccc3)C2)C1=O ZINC000044404135 562656394 /nfs/dbraw/zinc/65/63/94/562656394.db2.gz HEKQABCBYYCZHJ-YIOBJHAYSA-N 1 0 524.661 5.481 1 0 KKAFRO Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC1)c1ccccc1N2 ZINC000044404864 562656573 /nfs/dbraw/zinc/65/65/73/562656573.db2.gz CILDROBPHGWMGB-UHFFFAOYSA-N 1 0 544.143 6.548 1 0 KKAFRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000045166873 562657975 /nfs/dbraw/zinc/65/79/75/562657975.db2.gz IZUABZMNDKHGQV-UHFFFAOYSA-N 1 0 522.653 6.362 1 0 KKAFRO CC(C)CC[NH2+]Cc1ccc(OCc2cccc(C(=O)Nc3ccccc3)c2)c(I)c1 ZINC000045167235 562657997 /nfs/dbraw/zinc/65/79/97/562657997.db2.gz LGSXLZSMHSLDEZ-UHFFFAOYSA-N 1 0 528.434 6.258 1 0 KKAFRO Cc1noc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)/C=C/c4cccc(Cl)c4)CC2)CC3)n1 ZINC000045167415 562658038 /nfs/dbraw/zinc/65/80/38/562658038.db2.gz XAJGLGDFKWGARX-KPKJPENVSA-N 1 0 519.089 5.878 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045167777 562658080 /nfs/dbraw/zinc/65/80/80/562658080.db2.gz VBTDCXMICSSXJK-UHFFFAOYSA-N 1 0 518.543 5.169 1 0 KKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168549 562658122 /nfs/dbraw/zinc/65/81/22/562658122.db2.gz HFFFPBHPXGOZNK-HXUWFJFHSA-N 1 0 500.630 6.983 1 0 KKAFRO C[N@H+](CCCCNC(=O)c1cc2ccccc2[nH]1)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045187817 562658293 /nfs/dbraw/zinc/65/82/93/562658293.db2.gz DMXIGACZQWXTRE-NDEPHWFRSA-N 1 0 530.713 6.023 1 0 KKAFRO Cc1ccc(NC(=O)NC2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045188776 562658354 /nfs/dbraw/zinc/65/83/54/562658354.db2.gz DIFXJIVJDNTEBX-XYOKQWHBSA-N 1 0 517.501 5.888 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000045190121 562658421 /nfs/dbraw/zinc/65/84/21/562658421.db2.gz CBLNDHFSGGQIGI-OHZSXIGZSA-N 1 0 528.524 5.835 1 0 KKAFRO CCCc1c(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cnn1-c1ccccc1 ZINC000045190699 562658487 /nfs/dbraw/zinc/65/84/87/562658487.db2.gz FEPBKCIZGPRKBR-UHFFFAOYSA-N 1 0 523.725 6.474 1 0 KKAFRO COc1cc(C(=O)NCCc2ccccn2)ccc1OC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000045191087 562658512 /nfs/dbraw/zinc/65/85/12/562658512.db2.gz WPRZCZIROIWMFH-UHFFFAOYSA-N 1 0 535.688 5.738 1 0 KKAFRO O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1)c1cc(-c2ccncc2)c(-c2cccc(O)c2)o1 ZINC000045191417 562658564 /nfs/dbraw/zinc/65/85/64/562658564.db2.gz VQBDLCIGFKQZLG-VWLOTQADSA-N 1 0 521.539 6.300 1 0 KKAFRO CCOc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000045193539 562658785 /nfs/dbraw/zinc/65/87/85/562658785.db2.gz KTZMCFMSHJJQGG-UHFFFAOYSA-N 1 0 507.009 5.816 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000045194793 562658806 /nfs/dbraw/zinc/65/88/06/562658806.db2.gz VXZKPXUOCABTCN-JLHYYAGUSA-N 1 0 503.474 5.533 1 0 KKAFRO CC(C)C[C@H](C)NC(=O)[C@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045195356 562658862 /nfs/dbraw/zinc/65/88/62/562658862.db2.gz NUBLFVQCJUOKDV-KDYSTLNUSA-N 1 0 507.122 5.420 1 0 KKAFRO CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(NCC[NH+]2CCCC2)n1 ZINC000045195869 562658912 /nfs/dbraw/zinc/65/89/12/562658912.db2.gz RBUBZSJGBHCQJX-UHFFFAOYSA-N 1 0 517.531 5.554 1 0 KKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000045196224 562658953 /nfs/dbraw/zinc/65/89/53/562658953.db2.gz RJWFCKLNBULLCM-UHFFFAOYSA-N 1 0 520.673 7.263 1 0 KKAFRO Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202227 562659096 /nfs/dbraw/zinc/65/90/96/562659096.db2.gz SVNBCXOGKMCLJS-LBQODKDLSA-N 1 0 531.528 6.114 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000045210390 562659279 /nfs/dbraw/zinc/65/92/79/562659279.db2.gz RWAFZBXVUHMROO-UHFFFAOYSA-N 1 0 508.626 5.972 1 0 KKAFRO CCCCC[N@@H+]1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210381 562659289 /nfs/dbraw/zinc/65/92/89/562659289.db2.gz LAADWCKHEFLRPP-QFIPXVFZSA-N 1 0 511.610 5.281 1 0 KKAFRO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229943 562659583 /nfs/dbraw/zinc/65/95/83/562659583.db2.gz UMVQRVFLSLPAEH-BHDDXSALSA-N 1 0 521.464 5.419 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc54)cc3)CC2)cc1 ZINC000045259514 562659963 /nfs/dbraw/zinc/65/99/63/562659963.db2.gz BAHPJNWHTFCKKZ-UHFFFAOYSA-N 1 0 522.697 5.775 1 0 KKAFRO Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](CC2CCC2)CC4)cc1 ZINC000045299357 562660361 /nfs/dbraw/zinc/66/03/61/562660361.db2.gz ANRBPZIHUJJUFY-KJYTXNCISA-N 1 0 526.506 6.762 1 0 KKAFRO O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@@H]1CCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000045298403 562660379 /nfs/dbraw/zinc/66/03/79/562660379.db2.gz YWKPGWQHNFOGPP-XMMPIXPASA-N 1 0 530.159 5.556 1 0 KKAFRO O=C(NC[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301831 562660528 /nfs/dbraw/zinc/66/05/28/562660528.db2.gz FORAXJIIDUEKDC-SFHVURJKSA-N 1 0 502.558 5.457 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@@H]3CCCO3)C(=O)COc3ccccc3Cl)cc2)nc1 ZINC000045301451 562660544 /nfs/dbraw/zinc/66/05/44/562660544.db2.gz VTEUWHNTJNJGGT-VWLOTQADSA-N 1 0 508.062 5.488 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045302093 562660622 /nfs/dbraw/zinc/66/06/22/562660622.db2.gz VYCNYARMVFQFEM-UHFFFAOYSA-N 1 0 518.543 5.169 1 0 KKAFRO CS(=O)(=O)NCCC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045324153 562661174 /nfs/dbraw/zinc/66/11/74/562661174.db2.gz MLZJVNCSYMCDCC-UHFFFAOYSA-N 1 0 508.591 5.006 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045339077 562661526 /nfs/dbraw/zinc/66/15/26/562661526.db2.gz GDOYTQUYGSCDPA-UHFFFAOYSA-N 1 0 518.543 5.169 1 0 KKAFRO COc1ccccc1/C=C1\OC(=O)C=C1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000045358925 562662008 /nfs/dbraw/zinc/66/20/08/562662008.db2.gz VNMGXUBVHVIIND-MIXAMLLLSA-N 1 0 525.048 6.264 1 0 KKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21 ZINC000045389801 562662512 /nfs/dbraw/zinc/66/25/12/562662512.db2.gz SVNHWLZUROYKTP-LADGPHEKSA-N 1 0 516.856 6.931 1 0 KKAFRO CCCCC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000045495213 562662638 /nfs/dbraw/zinc/66/26/38/562662638.db2.gz VVOQENFAZBJUSR-NDEPHWFRSA-N 1 0 502.703 6.439 1 0 KKAFRO O=C(NCc1ccccc1)N[C@H](CCC[NH+]1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307326 562662952 /nfs/dbraw/zinc/66/29/52/562662952.db2.gz BZHDEWLIFSTTHO-MUUNZHRXSA-N 1 0 560.953 7.511 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCOc2ccc(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000048307331 562662960 /nfs/dbraw/zinc/66/29/60/562662960.db2.gz BLKQMXAHAGKFHQ-ODLFYWEKSA-N 1 0 516.682 6.554 1 0 KKAFRO COC(=O)c1cccc(N2CC[NH+](CCCNC(=O)/C(=C/C=C/c3cc4cc(Cl)c(Cl)cc4[nH]3)OC)CC2)c1 ZINC000048307353 562663021 /nfs/dbraw/zinc/66/30/21/562663021.db2.gz XKGDZJPPIYRCDT-HPVCSJJCSA-N 1 0 571.505 5.133 1 0 KKAFRO O=C(Oc1ccc([C@@H]2C[NH2+]CCc3c(Cl)c(OC(=O)c4ccc(O)cc4)c(OC(=O)c4ccc(O)cc4)cc32)cc1)c1ccc(O)cc1 ZINC000048307403 562663038 /nfs/dbraw/zinc/66/30/38/562663038.db2.gz VBPNWODZFNAFCX-HKBQPEDESA-N 1 0 666.082 6.392 1 0 KKAFRO COc1ccc(CC(=O)N[C@H](CC[NH+]2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000048307394 562663041 /nfs/dbraw/zinc/66/30/41/562663041.db2.gz BITCAVWAYASRBK-HHHXNRCGSA-N 1 0 646.637 5.614 1 0 KKAFRO CCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016929 562663266 /nfs/dbraw/zinc/66/32/66/562663266.db2.gz XRWCFFSMTYOSBA-MHZLTWQESA-N 1 0 509.735 5.944 1 0 KKAFRO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+]4CCC[C@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051648 562663785 /nfs/dbraw/zinc/66/37/85/562663785.db2.gz SOBWJJMARWEHLE-NRFANRHFSA-N 1 0 500.996 6.930 1 0 KKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054481 562663897 /nfs/dbraw/zinc/66/38/97/562663897.db2.gz VKEKQOWZBFVSMP-FIBWVYCGSA-N 1 0 520.595 6.148 1 0 KKAFRO CSCCCC(=O)SCC[C@H](CCCCC(=O)OCC[NH+](C)C)SC(=O)CCCSC ZINC000049071043 562664159 /nfs/dbraw/zinc/66/41/59/562664159.db2.gz NEDNKFUXJWYOAB-IBGZPJMESA-N 1 0 511.841 5.216 1 0 KKAFRO CN(C)c1ccc(CCCCCn2c3ccc(OCCc4ccc(O)cc4)cc3c3c2CC[C@H]([NH3+])C3)cc1 ZINC000049071319 562664166 /nfs/dbraw/zinc/66/41/66/562664166.db2.gz DNNFZOSVIGWJPL-SANMLTNESA-N 1 0 511.710 6.263 1 0 KKAFRO CCn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088415 562664330 /nfs/dbraw/zinc/66/43/30/562664330.db2.gz FYYAPMGYQONMQC-NDEPHWFRSA-N 1 0 503.433 5.979 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc(O)c4)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000049089363 562664421 /nfs/dbraw/zinc/66/44/21/562664421.db2.gz DODFKUBADJWIEL-VXKWHMMOSA-N 1 0 509.013 5.377 1 0 KKAFRO Oc1ccc2c(c1)O[C@@H](c1cccc(OCC[NH+]3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21 ZINC000049112283 562664601 /nfs/dbraw/zinc/66/46/01/562664601.db2.gz IYLBPELTTFJGJQ-LJAQVGFWSA-N 1 0 503.620 5.352 1 0 KKAFRO CC(C)[NH+](CCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1)C(C)C ZINC000049113494 562664673 /nfs/dbraw/zinc/66/46/73/562664673.db2.gz IBWJCHNKSFDWMJ-WJOKGBTCSA-N 1 0 501.623 6.422 1 0 KKAFRO O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000049600164 562665027 /nfs/dbraw/zinc/66/50/27/562665027.db2.gz DHBZKQDTEBHPAI-UHFFFAOYSA-N 1 0 684.618 8.567 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604921 562665052 /nfs/dbraw/zinc/66/50/52/562665052.db2.gz LKUKAZIICBMYIO-GDLZYMKVSA-N 1 0 688.540 9.190 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(CCC[NH+]1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049604936 562665070 /nfs/dbraw/zinc/66/50/70/562665070.db2.gz GNWLLPIMNKXUQI-UHFFFAOYSA-N 1 0 688.741 7.660 1 0 KKAFRO CC(=O)c1ccc(N2CC[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)COCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000049605021 562665212 /nfs/dbraw/zinc/66/52/12/562665212.db2.gz ORFLLYVBWQYOCA-HKBQPEDESA-N 1 0 566.529 5.776 1 0 KKAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000049605080 562665343 /nfs/dbraw/zinc/66/53/43/562665343.db2.gz JZLDAYLROCHGRQ-UHFFFAOYSA-N 1 0 581.559 5.141 1 0 KKAFRO CC(C)(Oc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)ccc2c1CCCC2)C(N)=O ZINC000049605099 562665345 /nfs/dbraw/zinc/66/53/45/562665345.db2.gz YCRBPCPCPVMBFY-UHFFFAOYSA-N 1 0 602.219 6.918 1 0 KKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC(Cc2cc3ccccc3[nH]2)CC1 ZINC000049605137 562665388 /nfs/dbraw/zinc/66/53/88/562665388.db2.gz HMSRUQHZTOZWDW-JLHYYAGUSA-N 1 0 544.095 6.815 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCSc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049605192 562665443 /nfs/dbraw/zinc/66/54/43/562665443.db2.gz QPSPCDMHEHVXON-UHFFFAOYSA-N 1 0 593.749 7.079 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)cc1)CC2 ZINC000049605268 562665643 /nfs/dbraw/zinc/66/56/43/562665643.db2.gz LBRRZPAUTMLDFX-UHFFFAOYSA-N 1 0 539.554 5.937 1 0 KKAFRO CCc1ccc(C[N@H+](CCCOc2cccc(CC(=O)NCc3c[nH]cn3)c2)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000049605293 562665651 /nfs/dbraw/zinc/66/56/51/562665651.db2.gz MWXSIFNYNRWNAL-UHFFFAOYSA-N 1 0 562.718 5.488 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605351 562665749 /nfs/dbraw/zinc/66/57/49/562665749.db2.gz LFOSZTKCLLCZKM-PKNBQFBNSA-N 1 0 537.919 6.186 1 0 KKAFRO Cn1nc(-c2ccc(S(=O)(=O)NC3CCC(C[NH+]4CCC(c5c[nH]c6ccccc56)CC4)CC3)s2)cc1C(F)(F)F ZINC000049605379 562665777 /nfs/dbraw/zinc/66/57/77/562665777.db2.gz JQMSAGHHYQYKNV-UHFFFAOYSA-N 1 0 605.752 6.365 1 0 KKAFRO CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605474 562665910 /nfs/dbraw/zinc/66/59/10/562665910.db2.gz VOXGIJYTPWQGSV-KXQOOQHDSA-N 1 0 669.847 6.351 1 0 KKAFRO CC(C)n1c2ccccc2nc1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049605505 562665965 /nfs/dbraw/zinc/66/59/65/562665965.db2.gz HIQYFHZTWKBDSF-CSKARUKUSA-N 1 0 539.551 7.055 1 0 KKAFRO C[C@@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]Cc3ccccc3)cc2)cc1)N(CCc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000049605599 562666054 /nfs/dbraw/zinc/66/60/54/562666054.db2.gz HYHQHAJWOYYCOO-MHZLTWQESA-N 1 0 612.214 8.293 1 0 KKAFRO CC(C)CCNC(=O)[C@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049605590 562666090 /nfs/dbraw/zinc/66/60/90/562666090.db2.gz USBMVNAYPCUHSW-AREMUKBSSA-N 1 0 537.546 5.141 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@H](CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000049605685 562666193 /nfs/dbraw/zinc/66/61/93/562666193.db2.gz GWIWDGSFYXFXQY-RFYAYMHSSA-N 1 0 560.569 8.048 1 0 KKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000049605700 562666256 /nfs/dbraw/zinc/66/62/56/562666256.db2.gz WKPLRWGUWPODBF-UHFFFAOYSA-N 1 0 558.629 8.539 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CCCn2c3ccccc3c(=O)nc2CCc2cccc(F)c2F)CC1 ZINC000049605801 562666388 /nfs/dbraw/zinc/66/63/88/562666388.db2.gz OABUJVPSSAYIGK-UHFFFAOYSA-N 1 0 730.822 8.828 1 0 KKAFRO CC(C)(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605821 562666401 /nfs/dbraw/zinc/66/64/01/562666401.db2.gz KJSBAIXZYVFFNK-UHFFFAOYSA-N 1 0 715.807 9.042 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049613921 562666479 /nfs/dbraw/zinc/66/64/79/562666479.db2.gz OTLNOYQUHXVXIV-WEVVVXLNSA-N 1 0 541.882 5.935 1 0 KKAFRO Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)C1CC1 ZINC000049613954 562666547 /nfs/dbraw/zinc/66/65/47/562666547.db2.gz ZZDSODPJVFBRKF-UHFFFAOYSA-N 1 0 620.779 5.178 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(C)=O)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)c1 ZINC000049615507 562666668 /nfs/dbraw/zinc/66/66/68/562666668.db2.gz MAFUFEDZAYCCOR-WZTRXQKXSA-N 1 0 647.694 5.298 1 0 KKAFRO C[C@@H]([NH2+]CCC1CCC(NC(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000049625896 562666863 /nfs/dbraw/zinc/66/68/63/562666863.db2.gz XEWLJUIBQJOVTC-IYQYWVBZSA-N 1 0 549.759 7.063 1 0 KKAFRO CCc1cn(CCOC)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc12 ZINC000049626006 562666924 /nfs/dbraw/zinc/66/69/24/562666924.db2.gz TWERQNHYZOLQIC-IGYGKHONSA-N 1 0 535.773 5.747 1 0 KKAFRO CCc1cn(CCCOC)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12 ZINC000049626121 562667030 /nfs/dbraw/zinc/66/70/30/562667030.db2.gz YAYSHNZMZRKJFW-IGYGKHONSA-N 1 0 581.679 5.751 1 0 KKAFRO CC[NH+]1CCC(N(CCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626326 562667157 /nfs/dbraw/zinc/66/71/57/562667157.db2.gz WOSLBIAYRVKSMD-UHFFFAOYSA-N 1 0 681.790 8.200 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@](CC[N@@H+]3CC[C@H]4c5ccccc5C[C@@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626436 562667174 /nfs/dbraw/zinc/66/71/74/562667174.db2.gz UZTAOZVXKCECDZ-RESPRDEJSA-N 1 0 611.566 6.191 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)cs2)cc1 ZINC000049626514 562667223 /nfs/dbraw/zinc/66/72/23/562667223.db2.gz WBHJKHQFAXZOKA-WDYNHAJCSA-N 1 0 542.753 6.054 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626694 562667301 /nfs/dbraw/zinc/66/73/01/562667301.db2.gz SJWUKHCSCHZFJM-GOTSBHOMSA-N 1 0 551.946 6.323 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639089 562667631 /nfs/dbraw/zinc/66/76/31/562667631.db2.gz WBJZXUQDAVEAJL-RTWAWAEBSA-N 1 0 569.936 6.462 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CC[NH+](CCCCc2ccccc2)CC1 ZINC000049639179 562667644 /nfs/dbraw/zinc/66/76/44/562667644.db2.gz UFEXFLXTGHJLNM-UHFFFAOYSA-N 1 0 536.514 6.163 1 0 KKAFRO CC(C)=CCC/C(C)=C/C[NH+]1CCC(N(Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000049639176 562667672 /nfs/dbraw/zinc/66/76/72/562667672.db2.gz WYHDONXSVXQVLA-ZTKZIYFRSA-N 1 0 615.840 7.785 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049654827 562668160 /nfs/dbraw/zinc/66/81/60/562668160.db2.gz QNSUBOTUABVDSJ-DPIBHUQISA-N 1 0 629.794 7.465 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@@H]5CCCC[C@@H]5[C@H]5CCCC[C@@H]54)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000049672588 562668307 /nfs/dbraw/zinc/66/83/07/562668307.db2.gz BKSRWLOPOUNWJY-LGSCQFCLSA-N 1 0 658.975 9.800 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccc(Cl)cc3)c3n(c2=O)CCCC3)CC1 ZINC000049679527 562668901 /nfs/dbraw/zinc/66/89/01/562668901.db2.gz IYDRIXUPUQQGSF-UHFFFAOYSA-N 1 0 545.127 6.116 1 0 KKAFRO O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049694620 562669534 /nfs/dbraw/zinc/66/95/34/562669534.db2.gz WEVXIPWDOXZIKE-DKRHUIDYSA-N 1 0 556.488 6.761 1 0 KKAFRO C[C@H](Nc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000049695294 562670364 /nfs/dbraw/zinc/67/03/64/562670364.db2.gz FBTSYYQDEPYYRI-CUNXSJBXSA-N 1 0 617.883 5.925 1 0 KKAFRO CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3)C(=O)OCc1ccccc1 ZINC000049708532 562670959 /nfs/dbraw/zinc/67/09/59/562670959.db2.gz PJTRSVXDCXQUPF-KVDSRRFTSA-N 1 0 641.937 9.587 1 0 KKAFRO CCOP(=O)(OCC)[C@@H](NCCc1c[nH]c2ccccc12)c1ccc([C@H](NCCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708921 562671128 /nfs/dbraw/zinc/67/11/28/562671128.db2.gz GCQPKRXHOAIDEP-LQFQNGICSA-N 1 0 694.750 8.843 1 0 KKAFRO CN(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049708998 562671175 /nfs/dbraw/zinc/67/11/75/562671175.db2.gz QQOGEFBZLDZTLL-DEOSSOPVSA-N 1 0 573.184 5.218 1 0 KKAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(-c2ccccc2)cs1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049709606 562671356 /nfs/dbraw/zinc/67/13/56/562671356.db2.gz VJUMZYLREUMKCS-QBBNIFMNSA-N 1 0 617.856 5.927 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049710396 562671668 /nfs/dbraw/zinc/67/16/68/562671668.db2.gz NJWYHURPOSBCSW-RUIMDTIESA-N 1 0 619.615 5.339 1 0 KKAFRO COc1cc(NC(=O)c2nn(CCCN3CCC([NH+]4CCCC4)CC3)cc2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049710424 562671702 /nfs/dbraw/zinc/67/17/02/562671702.db2.gz XQZUAWZZWIKJKR-UHFFFAOYSA-N 1 0 616.590 6.085 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)CC1 ZINC000049710842 562671848 /nfs/dbraw/zinc/67/18/48/562671848.db2.gz HSRCVDGUVOAWLD-UHFFFAOYSA-N 1 0 678.796 7.362 1 0 KKAFRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000049710973 562671917 /nfs/dbraw/zinc/67/19/17/562671917.db2.gz CKJUXBYRDUDCCC-SGPSMNCZSA-N 1 0 524.708 8.712 1 0 KKAFRO COc1cccc(OC[C@H]2CCC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000049722585 562672255 /nfs/dbraw/zinc/67/22/55/562672255.db2.gz QTAKTQLXWVARJB-QHCPKHFHSA-N 1 0 550.099 5.902 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722634 562672279 /nfs/dbraw/zinc/67/22/79/562672279.db2.gz RXEVELWDBBDFGK-ACUNGTFPSA-N 1 0 606.538 6.002 1 0 KKAFRO Cc1ccc([C@H]2N(c3ccccc3)O[C@H](c3ccccc3)[C@@]23C[N@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049722655 562672332 /nfs/dbraw/zinc/67/23/32/562672332.db2.gz ZFIXAPLUCJNISD-BREOONDBSA-N 1 0 502.658 7.252 1 0 KKAFRO C[C@@H](Oc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)ccc2c1CCCC2)C(N)=O ZINC000049722736 562672427 /nfs/dbraw/zinc/67/24/27/562672427.db2.gz PIVQMXWKJDZYGR-XMMPIXPASA-N 1 0 588.192 6.528 1 0 KKAFRO CC(C)c1ccc(NC(=O)N[C@H]2CC[N@H+](CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723007 562672809 /nfs/dbraw/zinc/67/28/09/562672809.db2.gz CLPJRMRZKPOGDZ-RARRKCLYSA-N 1 0 545.555 6.655 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccc(C)cc5)c5n(c4=O)CCCC5)CC3)c2c1 ZINC000049723020 562672818 /nfs/dbraw/zinc/67/28/18/562672818.db2.gz VVMHRJVTVLICTN-UHFFFAOYSA-N 1 0 540.708 5.471 1 0 KKAFRO CCC[NH+]1CCN(CCNC(=O)c2cccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)c2)CC1 ZINC000049723290 562673190 /nfs/dbraw/zinc/67/31/90/562673190.db2.gz RFMTZNWYEKFOMU-UHFFFAOYSA-N 1 0 551.695 5.514 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049723331 562673278 /nfs/dbraw/zinc/67/32/78/562673278.db2.gz XBFCHXGUCAGRNN-UHFFFAOYSA-N 1 0 669.216 7.682 1 0 KKAFRO CC(C)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049744760 562673485 /nfs/dbraw/zinc/67/34/85/562673485.db2.gz JIGUGHQILNEKMB-AVRDVDJQSA-N 1 0 559.582 6.950 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744867 562673544 /nfs/dbraw/zinc/67/35/44/562673544.db2.gz LQKSVBWVXREMMV-UFYCRDLUSA-N 1 0 555.909 6.072 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745248 562673746 /nfs/dbraw/zinc/67/37/46/562673746.db2.gz GUNSFAQQGCFKPF-ILWGZMRPSA-N 1 0 539.454 5.558 1 0 KKAFRO COc1cc2c(cn1)[nH]cc2C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049746132 562674307 /nfs/dbraw/zinc/67/43/07/562674307.db2.gz ISKZAKXSDPBYAJ-WEVVVXLNSA-N 1 0 541.523 6.446 1 0 KKAFRO CS(=O)(=O)Nc1ccc2c(c1)[nH]cc2C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049746429 562674420 /nfs/dbraw/zinc/67/44/20/562674420.db2.gz KEUUEWZPFICARW-XVNBXDOJSA-N 1 0 589.589 5.978 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccc(F)cc2c(=O)nc1CCc1cccc(F)c1F ZINC000049756022 562674761 /nfs/dbraw/zinc/67/47/61/562674761.db2.gz CBCGXRVWQMGSJL-UHFFFAOYSA-N 1 0 694.720 7.655 1 0 KKAFRO COc1ccc(-c2nc(SCCCCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000049756178 562674842 /nfs/dbraw/zinc/67/48/42/562674842.db2.gz SDOVRMIYOCMSMH-UHFFFAOYSA-N 1 0 646.857 7.957 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756116 562674871 /nfs/dbraw/zinc/67/48/71/562674871.db2.gz OHKVKGLOZBILIN-UFYCRDLUSA-N 1 0 589.461 6.437 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756856 562675239 /nfs/dbraw/zinc/67/52/39/562675239.db2.gz KEWIBIGKBFEKRG-LBFZIJHGSA-N 1 0 603.804 5.394 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757118 562675567 /nfs/dbraw/zinc/67/55/67/562675567.db2.gz DDKJURVNAYNPKH-WIHCDAFUSA-N 1 0 591.768 5.717 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@@H](CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757119 562675571 /nfs/dbraw/zinc/67/55/71/562675571.db2.gz DDKJURVNAYNPKH-XFCANUNOSA-N 1 0 591.768 5.717 1 0 KKAFRO Cc1ccc(/C=C/C(=O)NCCCCC[NH+]2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000049774508 562678640 /nfs/dbraw/zinc/67/86/40/562678640.db2.gz KWYDYKYVNVHXKJ-FMIVXFBMSA-N 1 0 537.026 5.817 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1cccs1 ZINC000049776356 562679464 /nfs/dbraw/zinc/67/94/64/562679464.db2.gz DJUGJHCIQRZZGU-VWLOTQADSA-N 1 0 657.702 6.200 1 0 KKAFRO C[NH+]1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Nc5ccccc5Cl)cc3)c4N)cc2)CC1 ZINC000049777033 562679549 /nfs/dbraw/zinc/67/95/49/562679549.db2.gz MXPLPMSWGMUSSK-UHFFFAOYSA-N 1 0 553.070 5.695 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777049 562679619 /nfs/dbraw/zinc/67/96/19/562679619.db2.gz KBWOGYALBNIBQP-HKBQPEDESA-N 1 0 616.872 5.414 1 0 KKAFRO O=C(NCc1ccccc1)c1nn(CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049777406 562680007 /nfs/dbraw/zinc/68/00/07/562680007.db2.gz WYXKJRDOOMWUFO-UHFFFAOYSA-N 1 0 617.581 5.606 1 0 KKAFRO C[N@@H+]1CCC[C@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000049777500 562680081 /nfs/dbraw/zinc/68/00/81/562680081.db2.gz SBSYQSASKXLENU-QFIPXVFZSA-N 1 0 556.674 7.000 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000049777499 562680099 /nfs/dbraw/zinc/68/00/99/562680099.db2.gz SBSYQSASKXLENU-JOCHJYFZSA-N 1 0 556.674 7.000 1 0 KKAFRO S=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777636 562680325 /nfs/dbraw/zinc/68/03/25/562680325.db2.gz NOGQVMFPQFEQBQ-QRIZJJBVSA-N 1 0 680.044 6.958 1 0 KKAFRO CC(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCC3=O)C2)c1 ZINC000049777692 562680423 /nfs/dbraw/zinc/68/04/23/562680423.db2.gz ZTFBNTHPVBDCAM-BHSUFKTOSA-N 1 0 547.784 5.195 1 0 KKAFRO CN(CCCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777957 562680749 /nfs/dbraw/zinc/68/07/49/562680749.db2.gz OTHBAGWCTBAQJP-JGCGNYSVSA-N 1 0 595.571 7.324 1 0 KKAFRO Cc1cc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)ccc1C(=O)NCCC[NH+](C)C ZINC000049778037 562680803 /nfs/dbraw/zinc/68/08/03/562680803.db2.gz CCYLXRZCCYTEPD-UHFFFAOYSA-N 1 0 563.649 5.339 1 0 KKAFRO C[NH+](C)CCc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000049778105 562680897 /nfs/dbraw/zinc/68/08/97/562680897.db2.gz ADDMFZVXYOSSRB-UHFFFAOYSA-N 1 0 529.566 6.439 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)c1ccccc1 ZINC000049778263 562681132 /nfs/dbraw/zinc/68/11/32/562681132.db2.gz YWPTVOHCMHCFBE-NDEPHWFRSA-N 1 0 651.673 6.138 1 0 KKAFRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)OCc1ccccc1 ZINC000049780095 562681346 /nfs/dbraw/zinc/68/13/46/562681346.db2.gz SFSJTVOKHPBMPF-JPQGODCTSA-N 1 0 650.901 7.361 1 0 KKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049780193 562681414 /nfs/dbraw/zinc/68/14/14/562681414.db2.gz ZUFUIYOZVFSEPX-GOJCVTOHSA-N 1 0 542.723 6.714 1 0 KKAFRO O=C(N[C@H](Cc1ccccc1)C[N@H+](Cc1cnc2ccccc2c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049780324 562681638 /nfs/dbraw/zinc/68/16/38/562681638.db2.gz FNQUUONWSOHCPS-JHOUSYSJSA-N 1 0 706.894 7.025 1 0 KKAFRO Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCCC[NH+](C)C)ncn3)c2)c1 ZINC000049780459 562681748 /nfs/dbraw/zinc/68/17/48/562681748.db2.gz BDUYLUFNRITWFA-UHFFFAOYSA-N 1 0 548.695 6.182 1 0 KKAFRO Cc1cc(Cl)c(OCCCc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781106 562682654 /nfs/dbraw/zinc/68/26/54/562682654.db2.gz JYRFCCLPIJHNRI-AREMUKBSSA-N 1 0 618.045 7.200 1 0 KKAFRO Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](C[NH3+])C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781105 562682668 /nfs/dbraw/zinc/68/26/68/562682668.db2.gz JYRFCCLPIJHNRI-SANMLTNESA-N 1 0 618.045 7.200 1 0 KKAFRO CC(=O)NC(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049781344 562682949 /nfs/dbraw/zinc/68/29/49/562682949.db2.gz KMNARKQYUZICHM-REUBFRLUSA-N 1 0 600.194 6.703 1 0 KKAFRO CCOC(=O)[C@H](CCSC)NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c[n+]1Cc1ccccc1 ZINC000049784014 562683411 /nfs/dbraw/zinc/68/34/11/562683411.db2.gz KQDBSCMRYWCTTE-PMERELPUSA-O 1 0 580.774 6.178 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784943 562683831 /nfs/dbraw/zinc/68/38/31/562683831.db2.gz KRXRRXMBTCTFSD-BHVANESWSA-N 1 0 625.851 5.874 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785030 562683879 /nfs/dbraw/zinc/68/38/79/562683879.db2.gz XDQLMSRLTKRTOW-VWLOTQADSA-N 1 0 649.059 6.488 1 0 KKAFRO CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C[NH+]4CCCCC4)nc4c(C(F)(F)F)cccn43)c2)c1 ZINC000049785723 562684133 /nfs/dbraw/zinc/68/41/33/562684133.db2.gz BSNQJTLXVANSQQ-UHFFFAOYSA-N 1 0 529.584 6.202 1 0 KKAFRO CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000049792079 562684339 /nfs/dbraw/zinc/68/43/39/562684339.db2.gz LVGZIFOZGQDLRO-BHSUFKTOSA-N 1 0 549.800 5.441 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)OCc1cncs1 ZINC000049793358 562684758 /nfs/dbraw/zinc/68/47/58/562684758.db2.gz QYQNOMZLEZZSFR-NSOVKSMOSA-N 1 0 619.813 5.687 1 0 KKAFRO CC(=O)NC(C)(C)[C@H]1CC2(CCN(C(=O)[C@H]3C[N@@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049793432 562684812 /nfs/dbraw/zinc/68/48/12/562684812.db2.gz KMNARKQYUZICHM-PBWSGDRGSA-N 1 0 600.194 6.703 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2Cl)s1)C1CCCCC1 ZINC000049793502 562684875 /nfs/dbraw/zinc/68/48/75/562684875.db2.gz KNYCQQSDMGDZCG-WYRQLCSISA-N 1 0 539.145 5.953 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5sccn54)n3)cc2)CC1 ZINC000049793658 562685082 /nfs/dbraw/zinc/68/50/82/562685082.db2.gz MBYBHGUQPPLBRD-UHFFFAOYSA-N 1 0 614.779 6.587 1 0 KKAFRO C[NH+](C)CCCC(=O)NC[C@H]1CC[C@H]2[C@H](c3ccccc3)Nc3c(F)cc(Br)cc3[C@H]2O1 ZINC000049793831 562685228 /nfs/dbraw/zinc/68/52/28/562685228.db2.gz JNLMXDYWVHNBSP-ICSRYVJKSA-N 1 0 504.444 5.049 1 0 KKAFRO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C(=O)Cc2ccc(F)c(C(F)(F)F)c2)C2CC[NH+](C(C)C)CC2)cc1 ZINC000049793912 562685298 /nfs/dbraw/zinc/68/52/98/562685298.db2.gz BRLVSSNAGZDESC-JOCHJYFZSA-N 1 0 639.694 6.342 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCSc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2 ZINC000049802513 562685735 /nfs/dbraw/zinc/68/57/35/562685735.db2.gz OQIGIFPIZMGWEI-UHFFFAOYSA-N 1 0 522.646 6.802 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCC(C)CC5)c(OC)cc43)ccc2s1 ZINC000049803040 562685989 /nfs/dbraw/zinc/68/59/89/562685989.db2.gz PWNGBUXSARZEQM-UHFFFAOYSA-N 1 0 534.682 6.274 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CC[NH+](CC)CC5)c(OC)cc43)ccc2s1 ZINC000049803042 562685998 /nfs/dbraw/zinc/68/59/98/562685998.db2.gz MYHOVGZNLUTPNZ-UHFFFAOYSA-N 1 0 549.697 5.180 1 0 KKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@@H]([NH2+]CCNc5ccnc6cc(Cl)ccc65)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049823105 562687026 /nfs/dbraw/zinc/68/70/26/562687026.db2.gz KRNXBGIVMRDNEB-NVFJIAARSA-N 1 0 710.356 7.590 1 0 KKAFRO CC(C)C[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049823185 562687097 /nfs/dbraw/zinc/68/70/97/562687097.db2.gz AWFUWJTWCMQPFQ-SHQCIBLASA-N 1 0 631.582 5.285 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049841523 562688462 /nfs/dbraw/zinc/68/84/62/562688462.db2.gz NTAUDCVZBTZLNG-LXLNROOHSA-N 1 0 715.851 5.937 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(Cc3ccccc3Cl)CC[NH2+]2)c1 ZINC000049853709 562689046 /nfs/dbraw/zinc/68/90/46/562689046.db2.gz SMSFWZXSHBFRDJ-DSPMFFIESA-N 1 0 641.203 5.365 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)s1 ZINC000049867408 562689415 /nfs/dbraw/zinc/68/94/15/562689415.db2.gz VKGQZQGDXLIZTP-UHFFFAOYSA-N 1 0 603.166 6.669 1 0 KKAFRO CC(C)[NH+]1CCC(Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000049872506 562690074 /nfs/dbraw/zinc/69/00/74/562690074.db2.gz VORCYKUSPCBIIJ-VQHVLOKHSA-N 1 0 601.657 7.032 1 0 KKAFRO Cc1ccccc1C[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049881464 562690804 /nfs/dbraw/zinc/69/08/04/562690804.db2.gz YGQNASRWVQGKKI-QHCPKHFHSA-N 1 0 537.509 5.158 1 0 KKAFRO Cc1ccc(C[N@H+](CCc2ccc(Cl)c(Cl)c2)C[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000049881465 562690808 /nfs/dbraw/zinc/69/08/08/562690808.db2.gz NBUXXQAKIDWTON-QHCPKHFHSA-N 1 0 537.509 5.158 1 0 KKAFRO O=C(c1ccco1)N1CC[C@](CCC[NH+]2CCC3(CC2)C(=O)NCN3C2CCCCC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049881668 562691064 /nfs/dbraw/zinc/69/10/64/562691064.db2.gz PKQUEUZCMXKNLH-PMERELPUSA-N 1 0 587.592 5.707 1 0 KKAFRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000049889296 562691978 /nfs/dbraw/zinc/69/19/78/562691978.db2.gz FCDNRJDHYPWDHC-UHFFFAOYSA-N 1 0 644.728 6.144 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2Cl)ccc1I ZINC000049917828 562693934 /nfs/dbraw/zinc/69/39/34/562693934.db2.gz HFLMEUCBRHODEJ-UHFFFAOYSA-N 1 0 535.813 6.196 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(Cc3cccc(Cl)c3)CCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049908048 562693423 /nfs/dbraw/zinc/69/34/23/562693423.db2.gz NGDXORRWHRAESJ-AJQTZOPKSA-N 1 0 639.262 5.159 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccc(S(C)(=O)=O)cc4)c3Cl)c2n1 ZINC000049916665 562693531 /nfs/dbraw/zinc/69/35/31/562693531.db2.gz HJSPBXHQJWHFJY-UHFFFAOYSA-N 1 0 707.702 5.186 1 0 KKAFRO CC(C)Cc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 ZINC000049917684 562693752 /nfs/dbraw/zinc/69/37/52/562693752.db2.gz IUPCZOCHTNOPKO-UHFFFAOYSA-N 1 0 581.588 6.776 1 0 KKAFRO CC[NH+](CC)CCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21 ZINC000049917693 562693764 /nfs/dbraw/zinc/69/37/64/562693764.db2.gz VNJYAFTZVQZKHD-UHFFFAOYSA-N 1 0 707.809 9.019 1 0 KKAFRO COc1ccc(CC(=O)N[C@@H](CC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000049917794 562693916 /nfs/dbraw/zinc/69/39/16/562693916.db2.gz DUYRVOCUMIXJGB-LJAQVGFWSA-N 1 0 537.531 6.772 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@](CC[NH+]3CCC4(CCc5ccccc54)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1 ZINC000049917820 562693961 /nfs/dbraw/zinc/69/39/61/562693961.db2.gz DLIBGMCXVCUNOA-UMSFTDKQSA-N 1 0 624.609 7.140 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@H](NC(=O)/C=C/c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917846 562694006 /nfs/dbraw/zinc/69/40/06/562694006.db2.gz CZLTVXNYOSUZAA-IUKPUOCZSA-N 1 0 598.596 6.068 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917857 562694025 /nfs/dbraw/zinc/69/40/25/562694025.db2.gz DJGWKTWKRTXWLC-LEWJYISDSA-N 1 0 619.943 7.295 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OC[C@H](O)c2ccc(Cl)cc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917872 562694070 /nfs/dbraw/zinc/69/40/70/562694070.db2.gz HGSDMSIJNZILEW-LHEWISCISA-N 1 0 705.261 9.407 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917868 562694073 /nfs/dbraw/zinc/69/40/73/562694073.db2.gz DDWQCJAFYYLUKE-UHFFFAOYSA-N 1 0 641.778 8.615 1 0 KKAFRO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCC[N@@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694085 /nfs/dbraw/zinc/69/40/85/562694085.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 1 0 600.594 8.951 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(CN(C)C)c(=O)nc1SCc1ccc(F)cc1 ZINC000049917917 562694131 /nfs/dbraw/zinc/69/41/31/562694131.db2.gz CSAOECNNUYJRTM-UHFFFAOYSA-N 1 0 650.264 6.427 1 0 KKAFRO CC(=O)COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)ccc2c1CCCC2 ZINC000049917982 562694287 /nfs/dbraw/zinc/69/42/87/562694287.db2.gz FYVCXARDFGTCOB-UHFFFAOYSA-N 1 0 606.729 7.609 1 0 KKAFRO CCOc1c(OC)ccc2c1CCN(CC[NH+]1CCC(CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC1)C2 ZINC000049918047 562694400 /nfs/dbraw/zinc/69/44/00/562694400.db2.gz FYEJMUSTBVPKJM-UHFFFAOYSA-N 1 0 595.706 6.280 1 0 KKAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH2+]Cc4ccc(F)cc4)c3Cl)c2n1 ZINC000049938381 562695252 /nfs/dbraw/zinc/69/52/52/562695252.db2.gz HAZGPFHRYIFASO-UHFFFAOYSA-N 1 0 647.600 5.921 1 0 KKAFRO COc1ccc(C[NH2+]Cc2c3ccc(C(=O)N(C)CC(C)C)cc3[nH]c2-c2n[nH]cc2-c2ccccc2)cc1 ZINC000049938521 562695396 /nfs/dbraw/zinc/69/53/96/562695396.db2.gz QTVSMFGUPOSIGZ-UHFFFAOYSA-N 1 0 521.665 6.251 1 0 KKAFRO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2cc(-c3ccc(NC(=O)CC)cc3)c(C[N@H+](C)Cc3ccccc3)cc2c1=O ZINC000053206581 562696468 /nfs/dbraw/zinc/69/64/68/562696468.db2.gz JBODSIHHJZNESW-UHFFFAOYSA-N 1 0 623.700 7.152 1 0 KKAFRO CCCCN1C(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053230797 562696680 /nfs/dbraw/zinc/69/66/80/562696680.db2.gz VOTLOSHWWAQODX-SSEXGKCCSA-N 1 0 569.702 5.074 1 0 KKAFRO C[NH+]1CCN(CCNc2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053293643 562697148 /nfs/dbraw/zinc/69/71/48/562697148.db2.gz RXAUDONEMZYHCD-UHFFFAOYSA-N 1 0 621.590 5.726 1 0 KKAFRO Cc1cc(-c2ccccc2)n(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000055646884 562697783 /nfs/dbraw/zinc/69/77/83/562697783.db2.gz FNNDUXYZPVJOBO-KCTCJIHVSA-N 1 0 540.752 6.245 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc21 ZINC000055734795 562697805 /nfs/dbraw/zinc/69/78/05/562697805.db2.gz SBJZGWKETAEEGB-UHFFFAOYSA-N 1 0 555.514 5.845 1 0 KKAFRO CC(C)(C)C[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000058511592 562698424 /nfs/dbraw/zinc/69/84/24/562698424.db2.gz XBOFJPSCQGVLPB-IZLXSDGUSA-N 1 0 635.856 6.323 1 0 KKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058523515 562698564 /nfs/dbraw/zinc/69/85/64/562698564.db2.gz AKCGOXREZJOGPS-UHFFFAOYSA-N 1 0 506.622 5.121 1 0 KKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1ccc(C(F)(F)F)cc1 ZINC000058537944 562698800 /nfs/dbraw/zinc/69/88/00/562698800.db2.gz KTSFYRFFNOMOLD-HXUWFJFHSA-N 1 0 503.609 6.902 1 0 KKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]2COC(=O)CCC(=O)OC[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000058538550 562698878 /nfs/dbraw/zinc/69/88/78/562698878.db2.gz SFJCDXPAZDITGW-UVKREGSUSA-N 1 0 685.541 8.801 1 0 KKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1-c1ccc(Cl)cc1 ZINC000058541102 562698903 /nfs/dbraw/zinc/69/89/03/562698903.db2.gz UYFMEWDOLMKQRJ-UHFFFAOYSA-N 1 0 507.122 6.086 1 0 KKAFRO CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000058581801 562699871 /nfs/dbraw/zinc/69/98/71/562699871.db2.gz VACCKGGBGSUGJZ-XZWHSSHBSA-N 1 0 611.686 5.295 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058591331 562700466 /nfs/dbraw/zinc/70/04/66/562700466.db2.gz VZQLEKQMCOAWNB-LJQANCHMSA-N 1 0 587.149 6.547 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058591819 562700516 /nfs/dbraw/zinc/70/05/16/562700516.db2.gz LTNLGTPSGYMIIR-XMMPIXPASA-N 1 0 620.017 6.911 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000058592459 562700610 /nfs/dbraw/zinc/70/06/10/562700610.db2.gz GOUXVFGHGYYLAE-UHFFFAOYSA-N 1 0 537.752 7.022 1 0 KKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCc2ccccc2)c1-c1ccc(F)cc1 ZINC000058602866 562700883 /nfs/dbraw/zinc/70/08/83/562700883.db2.gz VGTBCHGQRVWGCK-UHFFFAOYSA-N 1 0 554.666 5.842 1 0 KKAFRO Cn1c2ccc(Cl)cc2n(C2CC[NH+](CCCn3nccc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058655646 562701391 /nfs/dbraw/zinc/70/13/91/562701391.db2.gz LWFRBSJHBRLMJP-UHFFFAOYSA-N 1 0 663.581 5.667 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1 ZINC000059031250 562701620 /nfs/dbraw/zinc/70/16/20/562701620.db2.gz POUSUTIZRYXQHT-JOCHJYFZSA-N 1 0 575.363 9.018 1 0 KKAFRO O=C(/C=C/c1ccccc1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000059686584 562702113 /nfs/dbraw/zinc/70/21/13/562702113.db2.gz RPUKBLXBSWLIOP-SYFDYWEOSA-N 1 0 549.542 7.031 1 0 KKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687914 562702143 /nfs/dbraw/zinc/70/21/43/562702143.db2.gz AXZSTWFPHUHVFF-BJKOFHAPSA-N 1 0 506.731 7.868 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000059744875 562702193 /nfs/dbraw/zinc/70/21/93/562702193.db2.gz SVGCVFQVDCWGPY-SICUDWHYSA-N 1 0 585.789 6.531 1 0 KKAFRO COc1ccccc1[C@@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)c1ccccn1 ZINC000061895724 562702898 /nfs/dbraw/zinc/70/28/98/562702898.db2.gz SNDFWWDPMZJTJO-AREMUKBSSA-N 1 0 514.453 5.394 3 0 KKAFRO O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061903072 562702971 /nfs/dbraw/zinc/70/29/71/562702971.db2.gz ZDZJTQJMGWRFBP-LJAQVGFWSA-N 1 0 518.032 6.024 3 0 KKAFRO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906343 562703022 /nfs/dbraw/zinc/70/30/22/562703022.db2.gz WXGJVXKVWKQHHE-NDEPHWFRSA-N 1 0 503.568 6.371 3 0 KKAFRO COc1ccccc1[C@H](NC(=O)C1CC[NH+](CCc2ccc(Br)cc2)CC1)c1ccccn1 ZINC000061925967 562703613 /nfs/dbraw/zinc/70/36/13/562703613.db2.gz TTXOQYWJSDKOOH-SANMLTNESA-N 1 0 508.460 5.013 3 0 KKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930828 562703652 /nfs/dbraw/zinc/70/36/52/562703652.db2.gz JEUHINYNAOUGIF-MHZLTWQESA-N 1 0 528.480 5.702 3 0 KKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930826 562703655 /nfs/dbraw/zinc/70/36/55/562703655.db2.gz JEUHINYNAOUGIF-HHHXNRCGSA-N 1 0 528.480 5.702 3 0 KKAFRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N(C[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1CC1 ZINC000064447625 562705385 /nfs/dbraw/zinc/70/53/85/562705385.db2.gz FQUWLGICPYBBAF-SANMLTNESA-N 1 0 588.601 5.162 1 0 KKAFRO O=S(=O)(c1ccc(Cl)c(Cl)c1)N(C[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1CC1 ZINC000064447617 562705417 /nfs/dbraw/zinc/70/54/17/562705417.db2.gz FQUWLGICPYBBAF-AREMUKBSSA-N 1 0 588.601 5.162 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(C(F)(F)F)c1 ZINC000064453613 562705622 /nfs/dbraw/zinc/70/56/22/562705622.db2.gz FRBQGDYIANBVIV-SFTDATJTSA-N 1 0 566.591 5.913 1 0 KKAFRO FC(F)(F)Oc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1 ZINC000064540105 562707644 /nfs/dbraw/zinc/70/76/44/562707644.db2.gz COABNJKRUFUDCE-UHFFFAOYSA-N 1 0 507.375 6.957 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cc(C(C)=O)cc(C(C)(C)C)c2)CCCCC1 ZINC000064548337 562707791 /nfs/dbraw/zinc/70/77/91/562707791.db2.gz WSTPAMKJZDFYIN-WUFINQPMSA-N 1 0 514.657 5.322 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccccc2C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066194 562709312 /nfs/dbraw/zinc/70/93/12/562709312.db2.gz AKNNBMGJZOFXCC-UVMMSNCQSA-N 1 0 578.584 6.346 1 0 KKAFRO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066073931 562709599 /nfs/dbraw/zinc/70/95/99/562709599.db2.gz LENKUUPXOOPDDB-FQEVSTJZSA-N 1 0 621.440 6.800 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 ZINC000066074109 562709690 /nfs/dbraw/zinc/70/96/90/562709690.db2.gz ZCNZYJLLFKFZPD-FOPBOCKXSA-N 1 0 624.609 6.054 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 ZINC000066074112 562709705 /nfs/dbraw/zinc/70/97/05/562709705.db2.gz ZCNZYJLLFKFZPD-QRRWFCJLSA-N 1 0 624.609 6.054 1 0 KKAFRO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074275 562709787 /nfs/dbraw/zinc/70/97/87/562709787.db2.gz NLIKRVUFEZIMOB-OAQYLSRUSA-N 1 0 554.085 5.118 1 0 KKAFRO CN(C)C(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066075396 562710000 /nfs/dbraw/zinc/71/00/00/562710000.db2.gz YHIOEKCQICQSMV-VCTRWQRLSA-N 1 0 593.599 6.172 1 0 KKAFRO CN(Cc1ccccc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCC(NC(N)=O)(c2ccccc2)CC1 ZINC000066076289 562710119 /nfs/dbraw/zinc/71/01/19/562710119.db2.gz FYWXEKFVHHPBEC-VVFBEHOQSA-N 1 0 565.545 5.569 1 0 KKAFRO Cc1nnc(-c2ccccc2)n1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066080079 562710737 /nfs/dbraw/zinc/71/07/37/562710737.db2.gz MLBRLXKHSAHTOE-HHHXNRCGSA-N 1 0 529.710 5.043 1 0 KKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098899 562711030 /nfs/dbraw/zinc/71/10/30/562711030.db2.gz OISSAGDOBVXRAL-JGCGQSQUSA-N 1 0 592.788 5.610 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102584 562711442 /nfs/dbraw/zinc/71/14/42/562711442.db2.gz FYONRHDEVCYUIG-FMHSGURNSA-N 1 0 565.640 5.695 1 0 KKAFRO O=c1c(-c2ccc(F)cc2)c2n(c(=O)n1CCCC[NH+]1CCC(c3c[nH]c4ccccc43)CC1)CCCC2 ZINC000066103811 562711609 /nfs/dbraw/zinc/71/16/09/562711609.db2.gz HBGJQZBAGWKSCP-UHFFFAOYSA-N 1 0 514.645 5.294 1 0 KKAFRO O=C(CCCc1ccccc1)O[C@@H](CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000066104709 562711740 /nfs/dbraw/zinc/71/17/40/562711740.db2.gz BYFXZIUNDKEGTH-LJAQVGFWSA-N 1 0 524.076 6.850 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(OC4CC[NH+](C5CC5)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000066114314 562712323 /nfs/dbraw/zinc/71/23/23/562712323.db2.gz ZUDYNCJHVWNHDF-LJQANCHMSA-N 1 0 564.608 6.289 1 0 KKAFRO CC(C)[N@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1 ZINC000066136573 562713218 /nfs/dbraw/zinc/71/32/18/562713218.db2.gz AZXCXDZLLRZTNC-UHFFFAOYSA-N 1 0 623.411 5.331 1 0 KKAFRO 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)cc2C1=O ZINC000066136637 562713269 /nfs/dbraw/zinc/71/32/69/562713269.db2.gz ILXAKKDOMJRPPA-BIALHBOASA-N 1 0 624.562 5.285 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000066138722 562713338 /nfs/dbraw/zinc/71/33/38/562713338.db2.gz OFNMEGUDOANJDK-IOKPGSKQSA-N 1 0 576.565 5.864 3 0 KKAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066138796 562713361 /nfs/dbraw/zinc/71/33/61/562713361.db2.gz KJOKGJLAZDDVIB-DPGKKZRPSA-N 1 0 632.249 5.141 3 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[NH2+]CCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157544 562713958 /nfs/dbraw/zinc/71/39/58/562713958.db2.gz MRLNQNFCYNVUEX-DHIUTWEWSA-N 1 0 558.727 5.367 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066166662 562714115 /nfs/dbraw/zinc/71/41/15/562714115.db2.gz DFSBUGSUDBGGAL-MKGJDZFWSA-N 1 0 611.705 5.916 3 0 KKAFRO O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC000066166836 562714173 /nfs/dbraw/zinc/71/41/73/562714173.db2.gz JHAQDACUOASJFN-RPBOFIJWSA-N 1 0 533.051 5.214 1 0 KKAFRO O=C(CC[NH2+]C[C@H]1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066252764 562714878 /nfs/dbraw/zinc/71/48/78/562714878.db2.gz LITUTFJTPYHKOE-OAQYLSRUSA-N 1 0 582.726 5.497 1 0 KKAFRO CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCC[NH2+]C1 ZINC000066258803 562715107 /nfs/dbraw/zinc/71/51/07/562715107.db2.gz UNQRZPZKFDHQJJ-LJQANCHMSA-N 1 0 565.566 5.446 1 0 KKAFRO C[N@@H+]1CCC[C@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258801 562715108 /nfs/dbraw/zinc/71/51/08/562715108.db2.gz UKGUYMZTTOHLED-IBGZPJMESA-N 1 0 565.566 5.764 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(N[C@@H]3CCC[NH2+]C3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066258799 562715140 /nfs/dbraw/zinc/71/51/40/562715140.db2.gz VZAFKJMMFIFKPS-GOSISDBHSA-N 1 0 551.539 5.422 1 0 KKAFRO CC(C)[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260105 562715389 /nfs/dbraw/zinc/71/53/89/562715389.db2.gz BYFVNPPBJXPELG-UHFFFAOYSA-N 1 0 579.593 5.788 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(N3CC[NH+](C4CCC4)CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066262238 562715513 /nfs/dbraw/zinc/71/55/13/562715513.db2.gz AZRVHUILULJHOJ-UHFFFAOYSA-N 1 0 591.604 5.933 1 0 KKAFRO O=C(CCCCC[NH+]1CCC(CNC(=O)c2c3ccccc3n3c2OCCC3)CC1)OCc1ccccc1 ZINC000066264153 562715580 /nfs/dbraw/zinc/71/55/80/562715580.db2.gz QQTDBAJKECZRPE-UHFFFAOYSA-N 1 0 517.670 5.169 1 0 KKAFRO CC1(C)CC(OC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)CC(C)(C)[NH2+]1 ZINC000066263988 562715596 /nfs/dbraw/zinc/71/55/96/562715596.db2.gz GGPSXLGYSJTGMV-UHFFFAOYSA-N 1 0 614.831 5.868 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000068077995 562715708 /nfs/dbraw/zinc/71/57/08/562715708.db2.gz GEBGDXKEDPYHHN-IZLXSDGUSA-N 1 0 727.051 7.866 1 0 KKAFRO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000068245478 562716071 /nfs/dbraw/zinc/71/60/71/562716071.db2.gz NXIWKVKEGODGND-XMMPIXPASA-N 1 0 622.648 5.317 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000068245720 562716099 /nfs/dbraw/zinc/71/60/99/562716099.db2.gz QERKFYMVRVODAM-UHFFFAOYSA-N 1 0 518.610 5.261 1 0 KKAFRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631597 562716439 /nfs/dbraw/zinc/71/64/39/562716439.db2.gz RMJYPZJDYDKLTB-PUFWETDBSA-N 1 0 545.768 5.724 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631589 562716448 /nfs/dbraw/zinc/71/64/48/562716448.db2.gz PBANDLYPUDAWHY-FUKIBTTHSA-N 1 0 524.749 7.149 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(C(F)(F)F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000071294570 562716925 /nfs/dbraw/zinc/71/69/25/562716925.db2.gz NHQJVGQVWWWPIT-UHFFFAOYSA-N 1 0 512.435 5.465 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000071295372 562717190 /nfs/dbraw/zinc/71/71/90/562717190.db2.gz KQQJDLRHYDOVIR-BWMKXQIXSA-N 1 0 611.812 5.424 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000071295528 562717257 /nfs/dbraw/zinc/71/72/57/562717257.db2.gz IFPACHFGQGQBDX-ULJKERAFSA-N 1 0 601.622 8.084 1 0 KKAFRO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@H+](C)Cc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071295547 562717317 /nfs/dbraw/zinc/71/73/17/562717317.db2.gz WOJRPSBNVRDMLF-VRGGLLGESA-N 1 0 576.891 7.246 1 0 KKAFRO C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)[C@@H]4CCC[NH2+]4)C(C)(C)[C@@H]3CC[C@]12C ZINC000071295855 562717354 /nfs/dbraw/zinc/71/73/54/562717354.db2.gz UCZGQUVPWMSBFJ-WOJSPOSFSA-N 1 0 557.860 7.044 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC000071315976 562717795 /nfs/dbraw/zinc/71/77/95/562717795.db2.gz QWZMXDMMLKZNEH-CQSZACIVSA-N 1 0 513.263 5.254 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccccc3C(F)(F)F)CC2)c1 ZINC000071317343 562718220 /nfs/dbraw/zinc/71/82/20/562718220.db2.gz ZJSZMZLHXYOKNZ-UHFFFAOYSA-N 1 0 520.599 6.950 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317352 562718221 /nfs/dbraw/zinc/71/82/21/562718221.db2.gz ORHJRDFXSAZUJC-WXTAPIANSA-N 1 0 581.466 6.843 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317804 562718314 /nfs/dbraw/zinc/71/83/14/562718314.db2.gz BAMUFKAYCZHEJW-WGDIFIGCSA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317803 562718319 /nfs/dbraw/zinc/71/83/19/562718319.db2.gz BAMUFKAYCZHEJW-MRDQGFSESA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318502 562718520 /nfs/dbraw/zinc/71/85/20/562718520.db2.gz GWAWCEXQGCBEJE-MYUZEXMDSA-N 1 0 626.006 5.881 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071319256 562718760 /nfs/dbraw/zinc/71/87/60/562718760.db2.gz QGZPBSFUMWAXER-XHCCPWGMSA-N 1 0 580.478 7.448 1 0 KKAFRO CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071329537 562718927 /nfs/dbraw/zinc/71/89/27/562718927.db2.gz ATSWPIVOBKHCEA-QGZVFWFLSA-N 1 0 520.577 5.157 1 0 KKAFRO Cc1ccc(O[C@@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 ZINC000071330539 562719146 /nfs/dbraw/zinc/71/91/46/562719146.db2.gz RNFWJVYCNCVOTK-PPHZAIPVSA-N 1 0 606.392 6.895 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2)c2ccc(Br)cc2)CC1 ZINC000071330566 562719153 /nfs/dbraw/zinc/71/91/53/562719153.db2.gz JTKFCLXNXUKHRI-UZTOHYMASA-N 1 0 591.377 7.192 1 0 KKAFRO Cc1cc(C)cc(C2=C(OCC[C@@H]3CCCC[NH2+]3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1 ZINC000071330466 562719155 /nfs/dbraw/zinc/71/91/55/562719155.db2.gz YWHXYUQIWYAANP-DEOSSOPVSA-N 1 0 507.505 8.120 1 0 KKAFRO [NH3+]CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071332265 562719330 /nfs/dbraw/zinc/71/93/30/562719330.db2.gz NXWHUSWLVBSIJF-AHWVRZQESA-N 1 0 593.323 6.106 1 0 KKAFRO COc1ccc(/C=C2\C[N@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000071334642 562719631 /nfs/dbraw/zinc/71/96/31/562719631.db2.gz QFGLZVPTFMTCKV-POVALPJUSA-N 1 0 569.061 6.132 1 0 KKAFRO S=C1N=C2C(=Cc3cccc4ccccc34)C[N@@H+](Cc3ccccc3)CC2[C@@H](c2cccc3ccccc32)N1 ZINC000071340719 562719823 /nfs/dbraw/zinc/71/98/23/562719823.db2.gz VTNQOZDFITULBB-TYHBVVQBSA-N 1 0 523.705 7.777 1 0 KKAFRO CC(C)c1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](c3ccc(C(F)(F)F)cc3)c3cnccn3)CC2)cc1 ZINC000072103002 562720320 /nfs/dbraw/zinc/72/03/20/562720320.db2.gz XKGHUAMVEMIZQH-VWLOTQADSA-N 1 0 518.605 5.151 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCOCC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110253 562721766 /nfs/dbraw/zinc/72/17/66/562721766.db2.gz IWMWZQFRMIWFOR-LXQNXJGFSA-N 1 0 656.258 6.673 1 0 KKAFRO CO[C@@H]1CCN(C(=O)C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)C1 ZINC000072111077 562721865 /nfs/dbraw/zinc/72/18/65/562721865.db2.gz LVSUWBVBTMLPPY-KZMPOHPLSA-N 1 0 670.285 7.062 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114500 562722727 /nfs/dbraw/zinc/72/27/27/562722727.db2.gz MZROSNVGXZXXGE-OYRRYZQQSA-N 1 0 554.779 7.057 1 0 KKAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCC[NH2+]CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc32)c1 ZINC000072115343 562722971 /nfs/dbraw/zinc/72/29/71/562722971.db2.gz FFEBPVDKQMAKNA-SXOMAYOGSA-N 1 0 670.943 7.962 1 0 KKAFRO COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072115359 562723004 /nfs/dbraw/zinc/72/30/04/562723004.db2.gz HEWBYZPOUNEUEA-LNFMTQTQSA-N 1 0 672.875 5.575 1 0 KKAFRO CC[C@@H](c1nc2sc(Cl)cc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072118526 562723537 /nfs/dbraw/zinc/72/35/37/562723537.db2.gz MZKDGAGNFUCKHV-QFIPXVFZSA-N 1 0 509.075 5.410 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)N[C@H](CCC[NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072119050 562723786 /nfs/dbraw/zinc/72/37/86/562723786.db2.gz WDRRPXSNQZKAPJ-NHWZYIIXSA-N 1 0 658.848 5.185 1 0 KKAFRO CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC000072120051 562723946 /nfs/dbraw/zinc/72/39/46/562723946.db2.gz JGYQMAQNXPMEBL-UHFFFAOYSA-N 1 0 547.625 5.703 1 0 KKAFRO CCCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000072120579 562724099 /nfs/dbraw/zinc/72/40/99/562724099.db2.gz BZKSGIAIYGFXCW-ROJLCIKYSA-N 1 0 618.819 5.022 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(c(O)cc4Br)O[C@@H]2[C@]53CC[N@@H+]1CC1CC1 ZINC000072122631 562724571 /nfs/dbraw/zinc/72/45/71/562724571.db2.gz SXWDQIUYZZCDCQ-LDFHUFRKSA-N 1 0 546.546 5.176 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123638 562724762 /nfs/dbraw/zinc/72/47/62/562724762.db2.gz MFOSXQZBPFJMMX-UKJJDJLKSA-N 1 0 633.447 7.344 1 0 KKAFRO CC[NH+]1CCC(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 ZINC000072124687 562725101 /nfs/dbraw/zinc/72/51/01/562725101.db2.gz MAYIXESJSMZIQJ-UHFFFAOYSA-N 1 0 559.498 6.412 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000072127896 562725938 /nfs/dbraw/zinc/72/59/38/562725938.db2.gz NOMAJLSWAKZQQU-SSEXGKCCSA-N 1 0 506.650 5.487 1 0 KKAFRO Cn1cc(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2ccccc21 ZINC000072127976 562726011 /nfs/dbraw/zinc/72/60/11/562726011.db2.gz CQWDDWZXIZCQBL-SSEXGKCCSA-N 1 0 505.662 5.999 1 0 KKAFRO Cn1cc(-c2cccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)c2)c(=O)c2ccccc21 ZINC000072128572 562726060 /nfs/dbraw/zinc/72/60/60/562726060.db2.gz MXYGHZCYIGWVQN-SSEXGKCCSA-N 1 0 505.662 5.999 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCN2C(=O)N3CCC[C@@]3(CCCCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072128770 562726264 /nfs/dbraw/zinc/72/62/64/562726264.db2.gz AFNGHTWCRNTHHB-FAIXQHPJSA-N 1 0 732.992 5.933 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000072131651 562726687 /nfs/dbraw/zinc/72/66/87/562726687.db2.gz OODDZBBWARQOSL-MXROCILFSA-N 1 0 702.912 6.036 1 0 KKAFRO COC(=O)c1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000072132817 562726880 /nfs/dbraw/zinc/72/68/80/562726880.db2.gz MMFIYNUWNAVWBL-GDJIYFAZSA-N 1 0 638.514 7.235 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072136698 562728092 /nfs/dbraw/zinc/72/80/92/562728092.db2.gz KBXMRUCREHCPDM-GLBCCIBASA-N 1 0 672.288 6.068 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000072136945 562728244 /nfs/dbraw/zinc/72/82/44/562728244.db2.gz YNDKNWSMOFRSTP-WNQXLSPZSA-N 1 0 680.041 6.331 3 0 KKAFRO CC(C)Oc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1Nc1nnc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 ZINC000072137618 562728322 /nfs/dbraw/zinc/72/83/22/562728322.db2.gz DSUTUFZTJUISTA-UHFFFAOYSA-N 1 0 628.199 5.293 3 0 KKAFRO 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)CCC(F)(F)F)cc2C1=O ZINC000072138156 562728666 /nfs/dbraw/zinc/72/86/66/562728666.db2.gz DQMSHBPWTQYHPD-XOCMKLHTSA-N 1 0 690.631 7.202 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072142222 562729478 /nfs/dbraw/zinc/72/94/78/562729478.db2.gz PBMKPKLGLMSGEU-ISCCLHIJSA-N 1 0 589.552 5.142 3 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072142799 562729642 /nfs/dbraw/zinc/72/96/42/562729642.db2.gz UEFLNJBXIWCLIB-RXCFDRAVSA-N 1 0 503.731 6.626 1 0 KKAFRO CC[N@H+]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 ZINC000072142828 562729668 /nfs/dbraw/zinc/72/96/68/562729668.db2.gz DCZQYXXNARKPSE-DEWUORCCSA-N 1 0 573.690 5.691 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@@H]2C[NH2+]CC[C@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147621 562729729 /nfs/dbraw/zinc/72/97/29/562729729.db2.gz XRZNDNRJEXKCKQ-URLMMPGGSA-N 1 0 677.069 6.510 1 0 KKAFRO C[N@H+](CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000072147638 562729789 /nfs/dbraw/zinc/72/97/89/562729789.db2.gz JZNNYFOMKMYKHB-RPBOFIJWSA-N 1 0 634.687 5.099 1 0 KKAFRO CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147664 562729805 /nfs/dbraw/zinc/72/98/05/562729805.db2.gz SJSGQQBOEMCRGY-WDYNHAJCSA-N 1 0 659.054 6.933 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNCC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147859 562729884 /nfs/dbraw/zinc/72/98/84/562729884.db2.gz WSBCYTMHZZVDOP-IZLXSDGUSA-N 1 0 681.051 7.652 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152653 562730105 /nfs/dbraw/zinc/73/01/05/562730105.db2.gz QYQJQQGVLMAZDD-QHHIVDTJSA-N 1 0 635.648 9.200 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000072155025 562730158 /nfs/dbraw/zinc/73/01/58/562730158.db2.gz IOCCJLLQYQBDKI-JSOSNVBQSA-N 1 0 682.814 6.523 3 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172208 562730664 /nfs/dbraw/zinc/73/06/64/562730664.db2.gz FYNWFSJMQKURFE-UHFFFAOYSA-N 1 0 544.604 5.211 1 0 KKAFRO COc1cc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OC1CC[NH+](C)CC1 ZINC000072172324 562730691 /nfs/dbraw/zinc/73/06/91/562730691.db2.gz RJSLRECCUWJNKA-UHFFFAOYSA-N 1 0 506.599 5.050 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cc3OC)nc1-2 ZINC000072178757 562732135 /nfs/dbraw/zinc/73/21/35/562732135.db2.gz COJCXGYVLBGQIH-UHFFFAOYSA-N 1 0 636.801 5.271 1 0 KKAFRO CC(C)(c1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1cccnc12 ZINC000072317805 562733236 /nfs/dbraw/zinc/73/32/36/562733236.db2.gz YOXWNCRWJMZYKR-JOCHJYFZSA-N 1 0 503.952 6.375 1 0 KKAFRO CC(C)(c1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC1)O[C@H](c1cc(Cl)ccn1)c1cccnc12 ZINC000072317806 562733239 /nfs/dbraw/zinc/73/32/39/562733239.db2.gz YOXWNCRWJMZYKR-QFIPXVFZSA-N 1 0 503.952 6.375 1 0 KKAFRO CC1(C)C[C@]2(CCC[N@@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(=O)NC4CCCCC4)CC3)C2)C(=O)O1 ZINC000073139494 562733473 /nfs/dbraw/zinc/73/34/73/562733473.db2.gz KFNHIONVGXVTNZ-HKBQPEDESA-N 1 0 566.768 5.768 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccc(N(C)C(=O)/C=C/C[NH+](C)C)cc2n2cncc12 ZINC000073141857 562733770 /nfs/dbraw/zinc/73/37/70/562733770.db2.gz SIKNLOGXXNNBCE-RMKNXTFCSA-N 1 0 601.633 6.286 1 0 KKAFRO CC[NH+]1CCN(c2cc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)nc(C)n2)CC1 ZINC000073142325 562733820 /nfs/dbraw/zinc/73/38/20/562733820.db2.gz MTVNTMRGJCYGBM-UHFFFAOYSA-N 1 0 521.090 6.099 1 0 KKAFRO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@H+](CCC)C3Cc4ccccc4C3)cc2OC)nn1 ZINC000073164643 562734315 /nfs/dbraw/zinc/73/43/15/562734315.db2.gz SHGYUZFUKMSIQE-UHFFFAOYSA-N 1 0 561.771 5.488 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@@H]1C)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073165323 562734380 /nfs/dbraw/zinc/73/43/80/562734380.db2.gz OOABQHAHAYDPIZ-QFIPXVFZSA-N 1 0 630.214 8.454 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC000073166298 562734488 /nfs/dbraw/zinc/73/44/88/562734488.db2.gz UPPWPMDASXRHMH-CFBFXQLHSA-N 1 0 552.641 5.608 1 0 KKAFRO C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCC(C)(C)[NH3+])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197146 562735262 /nfs/dbraw/zinc/73/52/62/562735262.db2.gz LOYJEEBYLAQGGE-GKVSMKOHSA-N 1 0 524.496 5.652 1 0 KKAFRO C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197147 562735266 /nfs/dbraw/zinc/73/52/66/562735266.db2.gz DNGAWUMPQLYJTP-TZPNTHKFSA-N 1 0 552.506 5.740 1 0 KKAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073198130 562735561 /nfs/dbraw/zinc/73/55/61/562735561.db2.gz FBDLLDTWCMQOOT-GDLZYMKVSA-N 1 0 629.123 5.374 1 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2coc3cc(Cl)ccc3c2=O)c1 ZINC000073222253 562736361 /nfs/dbraw/zinc/73/63/61/562736361.db2.gz SGNRLILGTPMHPX-GDLZYMKVSA-N 1 0 527.064 6.907 1 0 KKAFRO O=C(N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1ccc(-c2coc3c(Cl)cccc3c2=O)cc1 ZINC000073222164 562736367 /nfs/dbraw/zinc/73/63/67/562736367.db2.gz WJLAQUPAQVIHHP-LJAQVGFWSA-N 1 0 527.064 6.907 1 0 KKAFRO CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000073223137 562736470 /nfs/dbraw/zinc/73/64/70/562736470.db2.gz PTNCJTBBANMOLZ-RZDWPUGNSA-N 1 0 506.090 5.846 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ncccc23)cc1 ZINC000073275875 562737297 /nfs/dbraw/zinc/73/72/97/562737297.db2.gz YEDVQMXBJGPGIO-HSZRJFAPSA-N 1 0 509.355 6.898 1 0 KKAFRO C[NH+](C)CCN(Cc1ccccc1)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073291810 562737521 /nfs/dbraw/zinc/73/75/21/562737521.db2.gz WEURIKGHASMEEJ-VWLOTQADSA-N 1 0 513.469 5.362 1 0 KKAFRO Cc1ccc(S(=O)(=O)n2cc3c(n2)C[C@H]2CC[C@H]4[C@@H]5CC[C@@]6(CC(C)=C5C[C@@H]4[C@@]2(C)C3)O[C@@H]2C[C@H](C)C[NH2+][C@H]2[C@H]6C)cc1 ZINC000082110764 562738860 /nfs/dbraw/zinc/73/88/60/562738860.db2.gz RIOIVJQNOQDPSA-LWTPEYKQSA-N 1 0 603.873 6.468 1 0 KKAFRO Cc1cc(S(C)(=O)=O)ccc1Oc1ccc(C[NH+]2CCC(N3C(=O)N(c4cc(C(N)=O)c(F)cc4F)C[C@H]3c3ccccc3)CC2)c(C)n1 ZINC000082136641 562738970 /nfs/dbraw/zinc/73/89/70/562738970.db2.gz VFGLXGJPGPVDQK-YTTGMZPUSA-N 1 0 689.785 5.919 1 0 KKAFRO CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082140221 562739365 /nfs/dbraw/zinc/73/93/65/562739365.db2.gz HJYICCQACOCTRF-GAQWYYIISA-N 1 0 692.820 5.178 1 0 KKAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140342 562739390 /nfs/dbraw/zinc/73/93/90/562739390.db2.gz WTHJJMAJSBSMMP-SSEXGKCCSA-N 1 0 643.150 5.417 1 0 KKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1)c1ccccc1 ZINC000082140909 562739617 /nfs/dbraw/zinc/73/96/17/562739617.db2.gz SNTMWNQBAMYSJI-GOTXZEDRSA-N 1 0 734.938 5.567 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CC[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082148874 562739634 /nfs/dbraw/zinc/73/96/34/562739634.db2.gz WTVBMVWFLMZFKE-JGCGQSQUSA-N 1 0 686.080 6.204 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000082150782 562739878 /nfs/dbraw/zinc/73/98/78/562739878.db2.gz QGSQJIGPZSEBPB-JOCHJYFZSA-N 1 0 582.576 5.770 1 0 KKAFRO C[NH+](C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2ccc(F)c(Cl)c2Cl)CCC1=O ZINC000082153061 562740083 /nfs/dbraw/zinc/74/00/83/562740083.db2.gz JFAYKLGHUXFQQT-UHFFFAOYSA-N 1 0 572.534 5.372 1 0 KKAFRO CCOC(=O)Nc1nc(N[C@@H](C)CCC[NH+](CC)CC)c2c(n1)S[C@@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153685 562740191 /nfs/dbraw/zinc/74/01/91/562740191.db2.gz QPAPXDIFCXITEA-LVXARBLLSA-N 1 0 546.741 6.935 1 0 KKAFRO O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000082155936 562740623 /nfs/dbraw/zinc/74/06/23/562740623.db2.gz CFMVBYMQCBVYEU-UHFFFAOYSA-N 1 0 557.738 5.965 1 0 KKAFRO C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)[NH3+])[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082156927 562740796 /nfs/dbraw/zinc/74/07/96/562740796.db2.gz KMBAKONRJYHTSX-QAJFTPDKSA-N 1 0 574.431 5.014 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157919 562741015 /nfs/dbraw/zinc/74/10/15/562741015.db2.gz BDTZGVGKDZTCTN-DUPMHHLHSA-N 1 0 541.095 5.633 1 0 KKAFRO [NH3+][C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082175472 562741643 /nfs/dbraw/zinc/74/16/43/562741643.db2.gz LIMJKIRESKWUFU-DHIUTWEWSA-N 1 0 666.816 7.736 1 0 KKAFRO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1-c1ccccc1 ZINC000082185974 562742323 /nfs/dbraw/zinc/74/23/23/562742323.db2.gz XHQPORMUYBMPOJ-UHFFFAOYSA-N 1 0 708.382 8.503 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000082185931 562742340 /nfs/dbraw/zinc/74/23/40/562742340.db2.gz VEYXNSARLJIJRR-IAYPMUAMSA-N 1 0 684.800 7.277 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000084596692 562743741 /nfs/dbraw/zinc/74/37/41/562743741.db2.gz KKJFYXKHSCMEHR-VMPREFPWSA-N 1 0 584.683 5.100 1 0 KKAFRO Cc1cccc(C)c1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084597192 562743919 /nfs/dbraw/zinc/74/39/19/562743919.db2.gz OIYJAXKZJUEIPA-WJOKGBTCSA-N 1 0 568.718 5.295 1 0 KKAFRO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602859 562744105 /nfs/dbraw/zinc/74/41/05/562744105.db2.gz ARZUYFDFMKIKHV-SLGOVJDISA-N 1 0 554.691 5.240 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCNC(=O)c1cc2ccccc2o1)CCc1cc2c(cc1-3)OCO2 ZINC000084603632 562744162 /nfs/dbraw/zinc/74/41/62/562744162.db2.gz OADNPODGBVAEKS-UHFFFAOYSA-O 1 0 523.565 5.033 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084605419 562744344 /nfs/dbraw/zinc/74/43/44/562744344.db2.gz BCCIICQGSQBPLH-NSHDSACASA-N 1 0 506.431 5.145 1 0 KKAFRO O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1cc(=O)c2ccccc2o1 ZINC000084631954 562745416 /nfs/dbraw/zinc/74/54/16/562745416.db2.gz PLKUANBZKFHKND-UHFFFAOYSA-N 1 0 560.138 7.836 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000084632109 562745451 /nfs/dbraw/zinc/74/54/51/562745451.db2.gz FVBOMFGKCNJCQX-BJKOFHAPSA-N 1 0 575.531 6.986 1 0 KKAFRO COC(=O)[C@@H](CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632226 562745458 /nfs/dbraw/zinc/74/54/58/562745458.db2.gz QLDJHSRGZNOSDW-WZFJQBBKSA-N 1 0 568.705 5.683 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccccn2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653371 562746811 /nfs/dbraw/zinc/74/68/11/562746811.db2.gz UKJWLARPUVQPQG-CYFIQEHSSA-N 1 0 673.793 5.456 1 0 KKAFRO O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCC[NH+]4CCCC4)cc3)n[nH]2)cc1)OCc1ccccc1 ZINC000084653537 562746901 /nfs/dbraw/zinc/74/69/01/562746901.db2.gz JIJJAEDYERZRJB-UHFFFAOYSA-N 1 0 553.663 5.620 1 0 KKAFRO C[C@H](Oc1cc(-c2nc(-c3ccc(C[NH+](C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655408 562747498 /nfs/dbraw/zinc/74/74/98/562747498.db2.gz JBRZKYLSQYOAJO-HNNXBMFYSA-N 1 0 541.599 5.774 1 0 KKAFRO C[C@@H](Oc1cc(-c2nc(-c3cc(C[NH+](C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655412 562747500 /nfs/dbraw/zinc/74/75/00/562747500.db2.gz BXNYUDMLUGTVPR-OAHLLOKOSA-N 1 0 541.599 5.774 1 0 KKAFRO Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC000084655460 562747537 /nfs/dbraw/zinc/74/75/37/562747537.db2.gz WGJIAMSLBTZDEA-MHZLTWQESA-N 1 0 503.965 5.441 1 0 KKAFRO [NH2+]=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 ZINC000084669685 562748047 /nfs/dbraw/zinc/74/80/47/562748047.db2.gz VBHFMVGPXTYUIR-YTTGMZPUSA-N 1 0 568.766 7.054 1 0 KKAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC000084672027 562748708 /nfs/dbraw/zinc/74/87/08/562748708.db2.gz RJNLRWBBEUXTKZ-NOXFTYBFSA-N 1 0 596.741 5.314 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084709050 562750291 /nfs/dbraw/zinc/75/02/91/562750291.db2.gz YCRNUCBVYJRPTD-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724582 562751155 /nfs/dbraw/zinc/75/11/55/562751155.db2.gz WNGXMRNNQVTALF-FRCYUFDXSA-N 1 0 599.134 8.246 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733520 562751881 /nfs/dbraw/zinc/75/18/81/562751881.db2.gz OLGGEMHVMHDMBQ-AHRDRJHTSA-N 1 0 699.254 10.552 1 0 KKAFRO COc1ccc(Cc2nc(-c3cc(Br)c(OCCC[NH+](C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000086024097 562753435 /nfs/dbraw/zinc/75/34/35/562753435.db2.gz LELRYAYWJCSVAA-UHFFFAOYSA-N 1 0 630.175 5.654 1 0 KKAFRO C[C@@H]1CN(c2ccc3c(cc[nH+]c3Nc3ccc(Cl)c(-c4nc(-c5ccccc5)c[nH]4)c3)c2)C[C@H](C)O1 ZINC000088343207 562753524 /nfs/dbraw/zinc/75/35/24/562753524.db2.gz IQBYYYDDWFBIMZ-BGYRXZFFSA-N 1 0 510.041 7.303 1 0 KKAFRO C[C@H](NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095539337 562755000 /nfs/dbraw/zinc/75/50/00/562755000.db2.gz QHMWQKQYCKXRJJ-YSJVAQMLSA-N 1 0 757.781 5.968 1 0 KKAFRO O=C(Nc1ccc2[nH]cc(C3CCN([C@@H](C[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)C(F)(F)F)CC3)c2c1)c1ccc(F)cc1 ZINC000095540638 562755887 /nfs/dbraw/zinc/75/58/87/562755887.db2.gz GMPLQRYRDNTYBI-FAIXQHPJSA-N 1 0 768.831 9.422 1 0 KKAFRO O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000095543894 562757526 /nfs/dbraw/zinc/75/75/26/562757526.db2.gz CYXPUCDOLFKSHG-RWZYWKSYSA-N 1 0 785.908 6.681 1 0 KKAFRO Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(C(=O)NCc5ccccn5)cc4)c3Cl)c2n1 ZINC000095544047 562757594 /nfs/dbraw/zinc/75/75/94/562757594.db2.gz VLDZXXVZHYSCHY-SFQUDFHCSA-N 1 0 742.667 8.060 1 0 KKAFRO O=C(NCCCC[NH2+]CCCNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)c1cccc(OCc2ccccc2)c1OCc1ccccc1 ZINC000095544638 562757776 /nfs/dbraw/zinc/75/77/76/562757776.db2.gz KLJYQTPJGBQPFJ-UHFFFAOYSA-N 1 0 777.962 8.922 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCO[N+](=O)[O-] ZINC000095555204 562761525 /nfs/dbraw/zinc/76/15/25/562761525.db2.gz HNDBWRWMAUROSM-BMRADRMJSA-N 1 0 562.667 5.511 1 0 KKAFRO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Cl)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555918 562761671 /nfs/dbraw/zinc/76/16/71/562761671.db2.gz RELNUIMSHHSYSY-UHFFFAOYSA-N 1 0 814.884 7.469 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5cc(F)ccc5o4)cc3)Cc3ccncc3)cc2)oc2ccc(F)cc12 ZINC000095556589 562761877 /nfs/dbraw/zinc/76/18/77/562761877.db2.gz KVZJFXQBIIQFHD-UHFFFAOYSA-N 1 0 760.790 7.900 1 0 KKAFRO CCOC(=O)CC[NH+](CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1)CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000095556910 562761922 /nfs/dbraw/zinc/76/19/22/562761922.db2.gz FSOITGDKYHBUBO-UHFFFAOYSA-N 1 0 733.814 6.980 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NCc1ccc(Cl)cc1 ZINC000095557298 562762073 /nfs/dbraw/zinc/76/20/73/562762073.db2.gz BCYHNZOREOSEDC-QJKWIJLYSA-N 1 0 648.244 7.219 1 0 KKAFRO COc1cc(-c2cc(=O)c3ccccc3o2)ccc1OCCOCC[NH+](CCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1OC)Cc1ccncc1 ZINC000095557270 562762100 /nfs/dbraw/zinc/76/21/00/562762100.db2.gz RNCMOEGZUISTPP-UHFFFAOYSA-N 1 0 784.862 7.639 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095564831 562764440 /nfs/dbraw/zinc/76/44/40/562764440.db2.gz NLDQNXPJJNOIIK-UNTHUGQZSA-N 1 0 578.713 5.353 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095564714 562764452 /nfs/dbraw/zinc/76/44/52/562764452.db2.gz APCAUJZEWHRTOX-DFSMTXOASA-N 1 0 658.799 7.628 1 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095565613 562764641 /nfs/dbraw/zinc/76/46/41/562764641.db2.gz DHPIXDXHWYRYQT-JLELKNTQSA-N 1 0 573.738 5.286 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566605 562765156 /nfs/dbraw/zinc/76/51/56/562765156.db2.gz PBMGKXVNCBHHBJ-DJWGBOQKSA-N 1 0 645.841 5.804 3 0 KKAFRO 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 ZINC000095566774 562765251 /nfs/dbraw/zinc/76/52/51/562765251.db2.gz NGQWRAJVXVPGQM-YHJOQWEYSA-N 1 0 668.770 5.656 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095566974 562765400 /nfs/dbraw/zinc/76/54/00/562765400.db2.gz NVPPLKXTBFJQBP-HNMNOHOESA-N 1 0 599.559 5.918 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095567007 562765419 /nfs/dbraw/zinc/76/54/19/562765419.db2.gz MGXDQALVEHELJP-HNMNOHOESA-N 1 0 620.599 5.455 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567012 562765441 /nfs/dbraw/zinc/76/54/41/562765441.db2.gz CMAOMNSLQLVSHG-YBBGPBPVSA-N 1 0 636.715 5.730 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095567302 562765679 /nfs/dbraw/zinc/76/56/79/562765679.db2.gz XHCFGJIATIGRMD-PHLCOOFXSA-N 1 0 650.780 5.517 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567349 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/nfs/dbraw/zinc/76/67/97/562766797.db2.gz GJYWPGQZJRIMRE-TVMHKENRSA-N 1 0 649.877 5.458 1 0 KKAFRO 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(NC(=O)C3CCCCC3)cc2C1=O ZINC000095568718 562766834 /nfs/dbraw/zinc/76/68/34/562766834.db2.gz RGDWZLATWUCGFS-DOKVQHETSA-N 1 0 675.833 7.152 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568831 562766965 /nfs/dbraw/zinc/76/69/65/562766965.db2.gz KPWIEHUIZOJQLP-JCGBMYGUSA-N 1 0 680.806 5.526 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095569133 562767154 /nfs/dbraw/zinc/76/71/54/562767154.db2.gz KMMQDOVCDINFEJ-KXLVQTRWSA-N 1 0 657.833 5.869 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569135 562767175 /nfs/dbraw/zinc/76/71/75/562767175.db2.gz VBZIQFOBKDVEDH-HQPLKVBUSA-N 1 0 714.058 6.528 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569300 562767327 /nfs/dbraw/zinc/76/73/27/562767327.db2.gz QQBXNGROOKAAKB-BVXAZASISA-N 1 0 669.745 5.083 1 0 KKAFRO COc1ccc(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 ZINC000095569278 562767336 /nfs/dbraw/zinc/76/73/36/562767336.db2.gz DUJVVSYLOOHDFD-XLCATFGMSA-N 1 0 643.806 5.515 1 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095569332 562767344 /nfs/dbraw/zinc/76/73/44/562767344.db2.gz KPWIEHUIZOJQLP-RDXDNIQESA-N 1 0 680.806 5.526 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569386 562767382 /nfs/dbraw/zinc/76/73/82/562767382.db2.gz YLCYRDPZGWCEPF-ACHOWJBZSA-N 1 0 631.770 5.646 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569511 562767503 /nfs/dbraw/zinc/76/75/03/562767503.db2.gz HCIBUZGQUWCBJD-YZIHRLCOSA-N 1 0 564.752 5.281 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569950 562767812 /nfs/dbraw/zinc/76/78/12/562767812.db2.gz JQXCVRFSCSGTFT-DGIFUFQNSA-N 1 0 634.626 5.384 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095570046 562767848 /nfs/dbraw/zinc/76/78/48/562767848.db2.gz VFODUGZKJXJXBF-HSHANODTSA-N 1 0 658.843 6.308 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570112 562767896 /nfs/dbraw/zinc/76/78/96/562767896.db2.gz YUKCNNACWFASQX-HIRWGAFWSA-N 1 0 628.648 5.430 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570105 562767924 /nfs/dbraw/zinc/76/79/24/562767924.db2.gz FIGGLCUVZRSRTI-QXULMBECSA-N 1 0 735.926 6.870 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570256 562767999 /nfs/dbraw/zinc/76/79/99/562767999.db2.gz IXNRSUPNSZLJQC-DVEXYGBFSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570522 562768256 /nfs/dbraw/zinc/76/82/56/562768256.db2.gz GJYWPGQZJRIMRE-HKQNKLGGSA-N 1 0 649.877 5.458 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095570684 562768351 /nfs/dbraw/zinc/76/83/51/562768351.db2.gz YUYBEPSVBUXRNH-LFINAOHFSA-N 1 0 715.719 7.574 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570796 562768472 /nfs/dbraw/zinc/76/84/72/562768472.db2.gz HMCLAGFKTYIJCB-YHJOQWEYSA-N 1 0 648.726 6.784 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570923 562768627 /nfs/dbraw/zinc/76/86/27/562768627.db2.gz BCUCLIMAYGDMQB-YJYIJQSESA-N 1 0 682.797 5.585 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095571066 562768735 /nfs/dbraw/zinc/76/87/35/562768735.db2.gz ACMKWYMGGGFAOB-BCDQWZCSSA-N 1 0 602.629 5.841 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571161 562768835 /nfs/dbraw/zinc/76/88/35/562768835.db2.gz TWOWYTAAZQEFAQ-PNRGXICFSA-N 1 0 634.802 6.568 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571195 562768843 /nfs/dbraw/zinc/76/88/43/562768843.db2.gz GHZMXVOCHVGOQG-RCXVBCEZSA-N 1 0 635.850 5.529 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095571217 562768889 /nfs/dbraw/zinc/76/88/89/562768889.db2.gz DOYVPIVJJALYPS-QLVXXPONSA-N 1 0 604.714 6.011 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095571375 562769005 /nfs/dbraw/zinc/76/90/05/562769005.db2.gz PKQAAOKAAVIVOG-XFBASLRHSA-N 1 0 694.789 5.246 1 0 KKAFRO O=C([O-])[C@H](Cc1ccccc1F)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095573194 562769609 /nfs/dbraw/zinc/76/96/09/562769609.db2.gz YFTFPJHCROIDGR-VWLOTQADSA-N 1 0 509.449 5.384 1 0 KKAFRO CC(=O)N[C@@H](Cc1ccc(F)c(C(F)(F)F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574079 562769880 /nfs/dbraw/zinc/76/98/80/562769880.db2.gz MYTVXNHBRORZBI-CCDWMCETSA-N 1 0 551.625 5.272 1 0 KKAFRO CC(C)c1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095575743 562770408 /nfs/dbraw/zinc/77/04/08/562770408.db2.gz BFDYMLHRCBEGCZ-UHFFFAOYSA-N 1 0 603.653 5.348 1 0 KKAFRO Cc1cc(C)cc(-n2c(Nc3ccccc3)nc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc32)c1 ZINC000095577953 562771122 /nfs/dbraw/zinc/77/11/22/562771122.db2.gz AIQDQGZKQMGGGZ-UHFFFAOYSA-N 1 0 504.642 5.671 1 0 KKAFRO CC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578285 562771199 /nfs/dbraw/zinc/77/11/99/562771199.db2.gz FYUUNYNZWADHLV-CCDWMCETSA-N 1 0 533.635 5.133 1 0 KKAFRO O=C(Nc1cccc(NC(=O)c2cccc(N3CCCCC3)c2)c1)c1cccc(OC2CC[NH+](CC3CC3)CC2)c1 ZINC000095584735 562773345 /nfs/dbraw/zinc/77/33/45/562773345.db2.gz AJLLHPKYDCMVMR-UHFFFAOYSA-N 1 0 552.719 6.435 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2ccc(F)cc2)c1 ZINC000095586002 562773852 /nfs/dbraw/zinc/77/38/52/562773852.db2.gz QDWONRSNSMNTTA-XZWHSSHBSA-N 1 0 547.715 5.315 1 0 KKAFRO Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095586220 562773873 /nfs/dbraw/zinc/77/38/73/562773873.db2.gz KAHGGXASNIKQCD-UHFFFAOYSA-N 1 0 594.778 10.123 1 0 KKAFRO CCCCCCn1cc(CCCCCc2cn(CCNC(=O)c3ccc(CCCCC)cc3)nn2)[nH+]c1N ZINC000095590682 562775368 /nfs/dbraw/zinc/77/53/68/562775368.db2.gz ABNZPPVLOKAIJZ-UHFFFAOYSA-N 1 0 521.754 5.755 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591355 562775630 /nfs/dbraw/zinc/77/56/30/562775630.db2.gz KTDLKOVVFMBNMC-UHFFFAOYSA-N 1 0 601.703 6.559 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4sc([C@@H](O)C(F)(F)F)cc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095591563 562775654 /nfs/dbraw/zinc/77/56/54/562775654.db2.gz RAAVZRCTBRDFFN-AREMUKBSSA-N 1 0 538.595 6.557 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH2+]Cc3ccc(I)o3)CC[C@]12C ZINC000095592178 562775829 /nfs/dbraw/zinc/77/58/29/562775829.db2.gz PWVPUSOWIGEZGE-FTPLKRJMSA-N 1 0 501.493 6.382 1 0 KKAFRO CCCN(CCC)C(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000095592942 562776074 /nfs/dbraw/zinc/77/60/74/562776074.db2.gz UGZMMHQVHFQHFH-NRSKXHDUSA-N 1 0 515.698 5.002 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+][C@H](C)c4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095595224 562776677 /nfs/dbraw/zinc/77/66/77/562776677.db2.gz MUNSMNHYTOTYRD-HSZRJFAPSA-N 1 0 540.660 6.688 1 0 KKAFRO 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 ZINC000095598787 562777562 /nfs/dbraw/zinc/77/75/62/562777562.db2.gz ZBBNPLMVFVREHD-FOWIORFYSA-N 1 0 719.867 6.742 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095598944 562777653 /nfs/dbraw/zinc/77/76/53/562777653.db2.gz RIKKTKCVINKHQI-HQLBTAIYSA-N 1 0 667.556 6.937 1 0 KKAFRO 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 ZINC000095599585 562778177 /nfs/dbraw/zinc/77/81/77/562778177.db2.gz ZBBNPLMVFVREHD-GTZOPPDQSA-N 1 0 719.867 6.742 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599646 562778236 /nfs/dbraw/zinc/77/82/36/562778236.db2.gz VEYXNSARLJIJRR-BWLKTWDLSA-N 1 0 684.800 7.277 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095599687 562778282 /nfs/dbraw/zinc/77/82/82/562778282.db2.gz HIKKVCQPDRGGEN-RIKJNLPISA-N 1 0 673.917 5.804 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599759 562778320 /nfs/dbraw/zinc/77/83/20/562778320.db2.gz RBOAJFBNHJWMOW-GAIIXZKLSA-N 1 0 684.800 7.277 1 0 KKAFRO 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 ZINC000095600003 562778517 /nfs/dbraw/zinc/77/85/17/562778517.db2.gz XGMQKVJTWVADHD-WMBRHFINSA-N 1 0 714.826 7.286 1 0 KKAFRO 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(NC(=O)c3ccncc3)cc2C1=O ZINC000095600062 562778550 /nfs/dbraw/zinc/77/85/50/562778550.db2.gz ULSHRNFHFOMVNH-DWAIMSSFSA-N 1 0 670.773 6.280 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095600302 562778822 /nfs/dbraw/zinc/77/88/22/562778822.db2.gz DWBBIMOOPOSMMP-IKDMDFKBSA-N 1 0 617.549 6.058 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600601 562779010 /nfs/dbraw/zinc/77/90/10/562779010.db2.gz PEUKOTPXCYQHOA-ZUDLYUOYSA-N 1 0 690.848 7.657 1 0 KKAFRO 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(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600665 562779116 /nfs/dbraw/zinc/77/91/16/562779116.db2.gz WRYGCPSZOBAIIH-LVDDARDMSA-N 1 0 728.809 7.006 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600716 562779140 /nfs/dbraw/zinc/77/91/40/562779140.db2.gz XHCFGJIATIGRMD-WTBTXGFSSA-N 1 0 650.780 5.517 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095600890 562779320 /nfs/dbraw/zinc/77/93/20/562779320.db2.gz CHFYKRHHVBHPRB-GJWZSCNASA-N 1 0 685.693 7.565 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600967 562779348 /nfs/dbraw/zinc/77/93/48/562779348.db2.gz KBXMRUCREHCPDM-ZUDLYUOYSA-N 1 0 672.288 6.068 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095601236 562779456 /nfs/dbraw/zinc/77/94/56/562779456.db2.gz PIPSXTOHKBCCEO-GAQVVXLESA-N 1 0 702.790 7.416 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601612 562779695 /nfs/dbraw/zinc/77/96/95/562779695.db2.gz BXFZIXJRVHHTCE-WYOWBBOASA-N 1 0 678.336 6.448 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)OCCCC[C@@H](C)O3)cc1 ZINC000095602071 562779889 /nfs/dbraw/zinc/77/98/89/562779889.db2.gz AXBDLHZRWNTTPP-IEPUYCOHSA-N 1 0 695.879 5.452 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095604071 562780797 /nfs/dbraw/zinc/78/07/97/562780797.db2.gz XMCNJBIDJBGVOV-LFSBMLFJSA-N 1 0 716.297 5.797 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095604037 562780800 /nfs/dbraw/zinc/78/08/00/562780800.db2.gz CHFYKRHHVBHPRB-DLVGFNCXSA-N 1 0 685.693 7.565 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604022 562780836 /nfs/dbraw/zinc/78/08/36/562780836.db2.gz PIPSXTOHKBCCEO-BEAGFIRGSA-N 1 0 702.790 7.416 1 0 KKAFRO COc1ccc(C[NH+]2CCN(c3ccc(Br)cc3NC(=O)c3cc4ccccc4o/c3=N\c3ccccc3)CC2)cc1 ZINC000095604185 562780866 /nfs/dbraw/zinc/78/08/66/562780866.db2.gz QQFLBQDAVMESCN-ZSWXBHCYSA-N 1 0 623.551 7.011 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095604101 562780882 /nfs/dbraw/zinc/78/08/82/562780882.db2.gz ORCUQVZUTYUDHO-VKIDHGPPSA-N 1 0 585.532 5.990 1 0 KKAFRO 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)Cc3ccccc3)cc2C1=O ZINC000095604827 562781231 /nfs/dbraw/zinc/78/12/31/562781231.db2.gz QWTHGLUFUCUWTA-RLJUXYCZSA-N 1 0 684.705 7.102 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605741 562781715 /nfs/dbraw/zinc/78/17/15/562781715.db2.gz PIPSXTOHKBCCEO-FXKJGQKXSA-N 1 0 702.790 7.416 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000095607675 562782959 /nfs/dbraw/zinc/78/29/59/562782959.db2.gz ORPYCWJPNJKZIA-QAXCHELISA-N 1 0 635.293 6.124 1 0 KKAFRO COc1cc(C(=O)N2CCC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095610961 562784706 /nfs/dbraw/zinc/78/47/06/562784706.db2.gz YMHZUQFCCIVBOA-QLKFWGTOSA-N 1 0 787.760 8.715 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000095611025 562784773 /nfs/dbraw/zinc/78/47/73/562784773.db2.gz RDKQAVZIXBHKDK-QNGWXLTQSA-N 1 0 804.921 9.361 1 0 KKAFRO COc1cc2c(cc1OCCCCCN1CC[NH+](CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000095615983 562787686 /nfs/dbraw/zinc/78/76/86/562787686.db2.gz KMALZPASESRBSO-XJYHXZFBSA-N 1 0 750.888 5.657 1 0 KKAFRO CCNc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670079 562788221 /nfs/dbraw/zinc/78/82/21/562788221.db2.gz IWYTUWMBDRWLJL-IGKIAQTJSA-N 1 0 502.577 6.019 1 0 KKAFRO COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@H+](Cc1ccccc1Cl)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680512 562788383 /nfs/dbraw/zinc/78/83/83/562788383.db2.gz SOQATTOXXPOAEE-NPKFRGRUSA-N 1 0 595.140 5.999 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3ccncc3)cc2C1=O ZINC000095703545 562788616 /nfs/dbraw/zinc/78/86/16/562788616.db2.gz SEUAKNKWNUNSGP-OXYPMYLPSA-N 1 0 552.675 5.288 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095771783 562788963 /nfs/dbraw/zinc/78/89/63/562788963.db2.gz BGHRQJUTYMMBFS-DOBRQBTGSA-N 1 0 564.726 6.636 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095820730 562789198 /nfs/dbraw/zinc/78/91/98/562789198.db2.gz VLABVJXETLVVIO-SYZUXVNWSA-N 1 0 554.707 5.131 1 0 KKAFRO Cc1noc(C)c1NC(=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 ZINC000095818867 562789225 /nfs/dbraw/zinc/78/92/25/562789225.db2.gz DJCIIHJEQUSOOT-OBFUEJMCSA-N 1 0 703.803 6.882 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095836258 562789416 /nfs/dbraw/zinc/78/94/16/562789416.db2.gz CHJXKWAEWBFEIT-WOGZVKCMSA-N 1 0 628.751 5.143 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095846713 562789474 /nfs/dbraw/zinc/78/94/74/562789474.db2.gz NHGHJDDGJPIKGB-NOMHHCBYSA-N 1 0 590.687 5.512 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095857344 562789669 /nfs/dbraw/zinc/78/96/69/562789669.db2.gz AYYGMCZSFFREOB-AWYDNWMNSA-N 1 0 659.805 5.640 1 0 KKAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)CN(C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095865533 562789746 /nfs/dbraw/zinc/78/97/46/562789746.db2.gz JTMYGCMOOIOLPA-LJAQVGFWSA-N 1 0 595.675 6.086 1 0 KKAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3nccs3)CC2)CN(Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000095867817 562789862 /nfs/dbraw/zinc/78/98/62/562789862.db2.gz ZKLYAUHYXNYSSM-XMMPIXPASA-N 1 0 523.102 5.369 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869146 562789990 /nfs/dbraw/zinc/78/99/90/562789990.db2.gz GFQKDUOYURHVMT-DUELTEGESA-N 1 0 543.683 5.474 1 0 KKAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1cccc(Cl)c1Cl ZINC000096167761 562790575 /nfs/dbraw/zinc/79/05/75/562790575.db2.gz ZUKCYBKSACCVGT-UHFFFAOYSA-N 1 0 557.507 5.425 1 0 KKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CC[NH+]4CCCC4)cc3)nc12 ZINC000096167807 562790592 /nfs/dbraw/zinc/79/05/92/562790592.db2.gz TUMITOMFWDJDDQ-UHFFFAOYSA-N 1 0 571.534 5.767 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cn3)c3ncccc23)c1F ZINC000096173433 562791407 /nfs/dbraw/zinc/79/14/07/562791407.db2.gz UCAVVCJHHRIZEP-UHFFFAOYSA-N 1 0 550.034 5.106 1 0 KKAFRO CCCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174109 562791695 /nfs/dbraw/zinc/79/16/95/562791695.db2.gz OOCXBJPTLMRNHD-UHFFFAOYSA-N 1 0 584.728 6.792 1 0 KKAFRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174104 562791699 /nfs/dbraw/zinc/79/16/99/562791699.db2.gz JBFYEVKDKQOVNR-UHFFFAOYSA-N 1 0 586.700 5.526 1 0 KKAFRO CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@H]1CCCO1 ZINC000096174216 562791776 /nfs/dbraw/zinc/79/17/76/562791776.db2.gz TZSSTUAUEZHDSJ-XSGUUIGASA-N 1 0 573.635 5.063 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]([N@H+](C)CCC(F)(F)F)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175694 562791847 /nfs/dbraw/zinc/79/18/47/562791847.db2.gz DCPHWMWWDPFCSD-AYRHNUGRSA-N 1 0 624.098 6.968 1 0 KKAFRO COCC[N@@H+]1CC[C@@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175758 562792015 /nfs/dbraw/zinc/79/20/15/562792015.db2.gz KEQFQZOUNFMJHA-HSZRJFAPSA-N 1 0 661.829 5.442 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CC[N@H+](C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175745 562792022 /nfs/dbraw/zinc/79/20/22/562792022.db2.gz LOANICCBOIOMOJ-UHFFFAOYSA-N 1 0 629.787 5.726 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176979 562792391 /nfs/dbraw/zinc/79/23/91/562792391.db2.gz PKNHUPGZFBLNGU-SANMLTNESA-N 1 0 500.668 6.126 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(OC)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 ZINC000096258670 562792934 /nfs/dbraw/zinc/79/29/34/562792934.db2.gz KJIJJDDZGNJZBA-UHFFFAOYSA-N 1 0 512.614 5.264 1 0 KKAFRO O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CCC[NH+]3CCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096269784 562793010 /nfs/dbraw/zinc/79/30/10/562793010.db2.gz WHQNDODSSAWZEZ-UHFFFAOYSA-N 1 0 702.822 7.566 1 0 KKAFRO C[C@@H](c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CC[NH+](C)C ZINC000096269789 562793028 /nfs/dbraw/zinc/79/30/28/562793028.db2.gz TVYKSXYNPUZARC-VWLOTQADSA-N 1 0 719.853 7.092 1 0 KKAFRO CN(CCC[NH+](C)C)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269795 562793049 /nfs/dbraw/zinc/79/30/49/562793049.db2.gz JNWSOTRODQFKPI-UHFFFAOYSA-N 1 0 719.853 6.921 1 0 KKAFRO CN(CC[NH+]1CCCCC1)Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269797 562793055 /nfs/dbraw/zinc/79/30/55/562793055.db2.gz DRUHJMPEAVCDDR-UHFFFAOYSA-N 1 0 745.891 7.455 1 0 KKAFRO CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000096269942 562793118 /nfs/dbraw/zinc/79/31/18/562793118.db2.gz UCTYISBEHVSILF-UHFFFAOYSA-N 1 0 582.720 8.246 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3ccccc3c2=O)cc1F ZINC000096270755 562793343 /nfs/dbraw/zinc/79/33/43/562793343.db2.gz QDZNZFNADWFZJG-UHFFFAOYSA-N 1 0 695.698 7.269 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270752 562793364 /nfs/dbraw/zinc/79/33/64/562793364.db2.gz JYQLVVOBTMGKEW-UHFFFAOYSA-N 1 0 762.160 8.663 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1F ZINC000096271511 562793761 /nfs/dbraw/zinc/79/37/61/562793761.db2.gz NDHAEGOOGOUGQD-UHFFFAOYSA-N 1 0 674.748 9.036 1 0 KKAFRO COc1cc(=O)oc2cc(OCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271830 562793857 /nfs/dbraw/zinc/79/38/57/562793857.db2.gz ZRZOBRDQJAZAHG-UHFFFAOYSA-N 1 0 598.744 5.424 1 0 KKAFRO Cc1cc(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](CCO)CC1 ZINC000096272787 562794254 /nfs/dbraw/zinc/79/42/54/562794254.db2.gz UKUFMIUQNWAMIB-UHFFFAOYSA-N 1 0 581.783 5.722 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CCC3)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000096272796 562794278 /nfs/dbraw/zinc/79/42/78/562794278.db2.gz WTLGABJSLMBEHB-UHFFFAOYSA-N 1 0 570.159 6.506 1 0 KKAFRO CCc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCCCCC(=O)N1)CC1(CCC1)O2 ZINC000096273405 562794482 /nfs/dbraw/zinc/79/44/82/562794482.db2.gz QPAQZVPVDCXNCF-YTCPBCGMSA-N 1 0 504.715 5.570 1 0 in-vitro KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCCSc1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000096283236 562794829 /nfs/dbraw/zinc/79/48/29/562794829.db2.gz JFNOLKIIOLBEKF-UHFFFAOYSA-N 1 0 514.667 6.819 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000096284297 562795073 /nfs/dbraw/zinc/79/50/73/562795073.db2.gz TWLBQXZSBMDTDB-WPWBMXPQSA-N 1 0 528.537 6.518 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000096284292 562795089 /nfs/dbraw/zinc/79/50/89/562795089.db2.gz UGBQKYVMRZGCSO-NOOIUNMQSA-N 1 0 526.565 7.203 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@H+](C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284742 562795329 /nfs/dbraw/zinc/79/53/29/562795329.db2.gz AMWSJQSAVVUQOG-MGBGTMOVSA-N 1 0 633.797 6.358 1 0 KKAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 ZINC000096285341 562795503 /nfs/dbraw/zinc/79/55/03/562795503.db2.gz UYTYPQVLRVEZRK-XIFFEERXSA-N 1 0 566.746 6.615 1 0 KKAFRO Cc1cccc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285362 562795513 /nfs/dbraw/zinc/79/55/13/562795513.db2.gz WZRAMHXCXACTHM-IADCTJSHSA-N 1 0 546.760 5.186 1 0 KKAFRO Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285363 562795543 /nfs/dbraw/zinc/79/55/43/562795543.db2.gz WZRAMHXCXACTHM-MUAVYFROSA-N 1 0 546.760 5.186 1 0 KKAFRO C[C@H](Sc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c(F)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285908 562795951 /nfs/dbraw/zinc/79/59/51/562795951.db2.gz QEQQZFQDMUHOME-KRWDZBQOSA-N 1 0 591.555 7.470 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000096302085 562796230 /nfs/dbraw/zinc/79/62/30/562796230.db2.gz INTDOQGZDPJUHG-UFZHQWOOSA-N 1 0 622.801 6.565 1 0 KKAFRO OC1(c2ccccc2CN2CC[NH2+]CC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318635 562796543 /nfs/dbraw/zinc/79/65/43/562796543.db2.gz ROLCHVRRPRQQIU-UHFFFAOYSA-N 1 0 510.509 5.472 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000096892943 562796688 /nfs/dbraw/zinc/79/66/88/562796688.db2.gz QTNSQIABBSIQJF-LLAOUBBZSA-N 1 0 733.490 7.696 1 0 KKAFRO CCCN(c1nccc(C(F)(F)F)n1)C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903319 562797898 /nfs/dbraw/zinc/79/78/98/562797898.db2.gz DGKVXHKWDZKIDE-HUROMRQRSA-N 1 0 591.694 5.674 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903705 562797980 /nfs/dbraw/zinc/79/79/80/562797980.db2.gz SMILDXPOLJCZDH-MSYMSKFLSA-N 1 0 623.646 7.114 1 0 KKAFRO CCn1nc(Cc2ccc(F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903990 562798088 /nfs/dbraw/zinc/79/80/88/562798088.db2.gz SUWLMLOCAPXBKA-HMQVCXRFSA-N 1 0 604.786 6.701 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096905086 562798451 /nfs/dbraw/zinc/79/84/51/562798451.db2.gz AZHLOHIURWDRGI-AREMUKBSSA-N 1 0 546.542 7.667 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](CC[C@H](CN(C)C(=O)c2cccc3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000096905083 562798463 /nfs/dbraw/zinc/79/84/63/562798463.db2.gz PTIHVMMKJLLBIV-MUUNZHRXSA-N 1 0 602.606 7.520 1 0 KKAFRO COc1ncc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000096905624 562798585 /nfs/dbraw/zinc/79/85/85/562798585.db2.gz CJWAMGPKZABYGQ-MRXNPFEDSA-N 1 0 533.431 5.680 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2ccc3oc4c(c3c2)n(CCCc2ccccc2)c(=O)nc4-c2ccccc2)cc1 ZINC000096906326 562798748 /nfs/dbraw/zinc/79/87/48/562798748.db2.gz WVEXDKDXFFYFCD-UHFFFAOYSA-N 1 0 513.641 7.171 1 0 KKAFRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096907628 562799153 /nfs/dbraw/zinc/79/91/53/562799153.db2.gz KEYURLVMZNLPOF-SFHVURJKSA-N 1 0 527.509 5.811 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907737 562799186 /nfs/dbraw/zinc/79/91/86/562799186.db2.gz IZDKLOCKHFWMCL-BNHRFMORSA-N 1 0 588.546 5.445 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907738 562799209 /nfs/dbraw/zinc/79/92/09/562799209.db2.gz IZDKLOCKHFWMCL-NRUKRWIHSA-N 1 0 588.546 5.445 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1ccc(F)cc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908069 562799295 /nfs/dbraw/zinc/79/92/95/562799295.db2.gz SAIFFXYXNBZSOW-RAMDELSOSA-N 1 0 543.808 6.463 1 0 KKAFRO C[C@](O)(CCC[NH2+]CCCn1ccnc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908082 562799323 /nfs/dbraw/zinc/79/93/23/562799323.db2.gz RQAKNSGEGXJXBB-VDPSFHEQSA-N 1 0 543.837 5.411 1 0 KKAFRO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@H+](C)C(C)(C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908701 562799442 /nfs/dbraw/zinc/79/94/42/562799442.db2.gz LCCCYUDWOIWMBN-SSWZFYISSA-N 1 0 668.735 7.168 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908959 562799493 /nfs/dbraw/zinc/79/94/93/562799493.db2.gz COQRXSSHOYPJBO-UHFFFAOYSA-N 1 0 617.175 7.461 1 0 KKAFRO COc1cc(C(=O)N[C@H](C[N@@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cc(C)ccc1O ZINC000096909591 562799657 /nfs/dbraw/zinc/79/96/57/562799657.db2.gz PGYWNPFFRWTCDQ-BKMJKUGQSA-N 1 0 533.669 5.172 1 0 KKAFRO Nc1sc(-c2ccccc2)c(C[NH+](C2CCCCC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 ZINC000096914217 562800727 /nfs/dbraw/zinc/80/07/27/562800727.db2.gz TXJNRWNSZFVKLU-UHFFFAOYSA-N 1 0 507.143 8.349 1 0 KKAFRO COc1ccc(Cc2nc(-c3cc(Br)c(OCC[NH+](C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921829 562801510 /nfs/dbraw/zinc/80/15/10/562801510.db2.gz AAUORFNJZIOJEL-UHFFFAOYSA-N 1 0 616.148 5.264 1 0 KKAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923599 562802155 /nfs/dbraw/zinc/80/21/55/562802155.db2.gz HBJAUIGRDDZSRE-PMERELPUSA-N 1 0 600.751 5.898 1 0 KKAFRO O=c1cc(C(F)(F)F)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929509 562803091 /nfs/dbraw/zinc/80/30/91/562803091.db2.gz BHSNCEPHUDDNNS-UHFFFAOYSA-N 1 0 504.480 6.131 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096932303 562803370 /nfs/dbraw/zinc/80/33/70/562803370.db2.gz ADJFQXLFIAVQNS-UHFFFAOYSA-N 1 0 621.713 7.447 1 0 KKAFRO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143535020 562835135 /nfs/dbraw/zinc/83/51/35/562835135.db2.gz YUANQCCFWPCCDL-RITPCOANSA-N 1 0 545.899 5.295 1 0 KKAFRO c1ccc2sc(N[C@@H](c3ccc(OCc4ccc(OCC[NH+]5CCCCC5)cc4)cc3)C3CC3)nc2c1 ZINC000096938104 562804412 /nfs/dbraw/zinc/80/44/12/562804412.db2.gz NLLOVMZXCOWCHJ-SSEXGKCCSA-N 1 0 513.707 7.303 1 0 KKAFRO O=C(OCC1CC[NH+](Cc2ccc(-c3ccccc3C(=O)OCc3ccccc3)cc2)CC1)c1c2ccccc2n2c1OCCC2 ZINC000096938764 562804595 /nfs/dbraw/zinc/80/45/95/562804595.db2.gz FKVARWONEBUBPV-UHFFFAOYSA-N 1 0 614.742 7.517 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(OC)cc4)n(Cc4ccc(OC)cc4)c3c2)C1C(=O)OC ZINC000100028514 562806202 /nfs/dbraw/zinc/80/62/02/562806202.db2.gz HIIKLNRXOPRDDM-UFNKWHAYSA-N 1 0 567.642 6.190 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033922 562806251 /nfs/dbraw/zinc/80/62/51/562806251.db2.gz PEGVMPUQDVEUGG-UFEOWHGLSA-N 1 0 533.713 6.597 1 0 KKAFRO CCc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(C)=O)C2 ZINC000100076323 562806581 /nfs/dbraw/zinc/80/65/81/562806581.db2.gz WJVLXNIJJXIXEY-RLPLKTQASA-N 1 0 568.766 5.955 1 0 KKAFRO COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC[NH+](C)C ZINC000100103985 562806847 /nfs/dbraw/zinc/80/68/47/562806847.db2.gz XWPPLWHLGPWMMH-UHFFFAOYSA-N 1 0 508.446 6.528 1 0 KKAFRO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(c2ccccc2)c2ccccc2)cc1 ZINC000100855504 562808261 /nfs/dbraw/zinc/80/82/61/562808261.db2.gz VKGLRQAYZIPUIR-OMLVWGSCSA-N 1 0 557.782 8.134 1 0 KKAFRO CC(C)(Cc1cccs1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101047408 562808895 /nfs/dbraw/zinc/80/88/95/562808895.db2.gz PJEGMEPDODYQEE-YUDQIZAISA-N 1 0 536.701 6.545 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@H]([NH+]3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC ZINC000101086271 562809082 /nfs/dbraw/zinc/80/90/82/562809082.db2.gz USIWFTPEBGPOSA-OYRHEFFESA-N 1 0 556.647 5.114 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 ZINC000101132128 562809351 /nfs/dbraw/zinc/80/93/51/562809351.db2.gz RVPGPLCUKORXKA-MXVIHJGJSA-N 1 0 562.601 5.698 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000101132092 562809373 /nfs/dbraw/zinc/80/93/73/562809373.db2.gz GAFGMUJBSNDSHX-MXVIHJGJSA-N 1 0 562.601 5.698 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101138838 562809414 /nfs/dbraw/zinc/80/94/14/562809414.db2.gz JUXBGMCJLYWPSS-KUMHGWDASA-N 1 0 500.691 6.315 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000101161490 562809544 /nfs/dbraw/zinc/80/95/44/562809544.db2.gz LCJYASMACJYXNP-LNWKWYTESA-N 1 0 521.109 6.660 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193591 562809932 /nfs/dbraw/zinc/80/99/32/562809932.db2.gz PJUZFIMJBIWYQW-RCFASBGUSA-N 1 0 590.812 7.379 1 0 KKAFRO COc1ccc(NC(=O)N(CCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 ZINC000101446673 562810776 /nfs/dbraw/zinc/81/07/76/562810776.db2.gz YZLDUGXGQUKXQJ-UQWUFBTJSA-N 1 0 516.690 6.015 1 0 KKAFRO CN1CCC[N@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696148 562811769 /nfs/dbraw/zinc/81/17/69/562811769.db2.gz DLYBSWKXVUNDGY-UHFFFAOYSA-N 1 0 596.753 5.631 1 0 KKAFRO CN1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696247 562811837 /nfs/dbraw/zinc/81/18/37/562811837.db2.gz SECMQIPLSAXOJP-UHFFFAOYSA-N 1 0 582.726 5.241 1 0 KKAFRO O=C(CC[NH+]1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696360 562811893 /nfs/dbraw/zinc/81/18/93/562811893.db2.gz UGFQQMFLSUQNJD-UHFFFAOYSA-N 1 0 581.738 6.869 1 0 KKAFRO C[N@@H+]1CCCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696524 562811962 /nfs/dbraw/zinc/81/19/62/562811962.db2.gz RWCOEHUIEYKOMU-UHFFFAOYSA-N 1 0 582.726 5.241 1 0 KKAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000101756265 562812066 /nfs/dbraw/zinc/81/20/66/562812066.db2.gz OTWJCQNGXQUBEK-IFBCEJQISA-N 1 0 597.848 6.080 1 0 KKAFRO CN1CC[NH+](CCCNc2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000103165490 562814618 /nfs/dbraw/zinc/81/46/18/562814618.db2.gz MLQKTZNSXUACNS-UHFFFAOYSA-N 1 0 594.814 5.595 1 0 KKAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000103171180 562814845 /nfs/dbraw/zinc/81/48/45/562814845.db2.gz MELMEHYDWWBWGC-UHFFFAOYSA-N 1 0 574.070 5.275 1 0 KKAFRO Cc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186210 562815424 /nfs/dbraw/zinc/81/54/24/562815424.db2.gz XGZNTWHKFBUAJJ-UUWRZZSWSA-N 1 0 580.197 8.258 1 0 KKAFRO Clc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198509 562815969 /nfs/dbraw/zinc/81/59/69/562815969.db2.gz KBFPKPXBSAHWEP-MGBGTMOVSA-N 1 0 600.615 8.603 1 0 KKAFRO Clc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198506 562815974 /nfs/dbraw/zinc/81/59/74/562815974.db2.gz KBFPKPXBSAHWEP-XIFFEERXSA-N 1 0 600.615 8.603 1 0 KKAFRO CCC[NH+](CCC)CCn1c2ccccc2c2c1-c1cc(C(C)C)ccc1[C@@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]21 ZINC000103224870 562817605 /nfs/dbraw/zinc/81/76/05/562817605.db2.gz CELFGZKQSGULCT-GJJQDPDKSA-N 1 0 528.781 8.272 1 0 KKAFRO Cc1nc2ccncc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224990 562817627 /nfs/dbraw/zinc/81/76/27/562817627.db2.gz KUYHSTQINAUJNF-XDZXDJIYSA-N 1 0 529.710 5.060 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225799 562817794 /nfs/dbraw/zinc/81/77/94/562817794.db2.gz WFRWQETYSFTMTJ-OWWCKCFISA-N 1 0 535.758 5.204 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4OC)[C@H](c4ccccc4OC)N23)cc1 ZINC000103230171 562818153 /nfs/dbraw/zinc/81/81/53/562818153.db2.gz FPOSITSESXWBAH-VSNJZNDESA-N 1 0 523.658 6.111 1 0 KKAFRO C[NH+](C)CC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232919 562818374 /nfs/dbraw/zinc/81/83/74/562818374.db2.gz QOAOOBLEORARMS-HNNXBMFYSA-N 1 0 548.306 5.572 1 0 KKAFRO CCN(CCc1ccc(F)cc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234262 562818588 /nfs/dbraw/zinc/81/85/88/562818588.db2.gz JXQVGTZZOJURFI-UHFFFAOYSA-N 1 0 599.191 5.264 1 0 KKAFRO CC(C)(C)CC[N@@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239082 562819253 /nfs/dbraw/zinc/81/92/53/562819253.db2.gz CYVNFPFWQDJUSR-UHFFFAOYSA-N 1 0 528.575 7.211 1 0 KKAFRO CC(C)C[N@@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239066 562819256 /nfs/dbraw/zinc/81/92/56/562819256.db2.gz WCFRBYYXLPOTLD-UHFFFAOYSA-N 1 0 500.521 6.431 1 0 KKAFRO Cc1cnc(Nc2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241196 562819551 /nfs/dbraw/zinc/81/95/51/562819551.db2.gz YKMMHHMQPMVYSR-UHFFFAOYSA-N 1 0 576.623 6.094 1 0 KKAFRO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCCCC[N@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241416 562819584 /nfs/dbraw/zinc/81/95/84/562819584.db2.gz NTMNIVKKJBSBFN-UHFFFAOYSA-N 1 0 540.748 8.158 1 0 KKAFRO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCC[N@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241406 562819595 /nfs/dbraw/zinc/81/95/95/562819595.db2.gz AKWAHKJJXBYPRC-UHFFFAOYSA-N 1 0 512.694 7.377 1 0 KKAFRO CC(C)[NH+](C(C)C)[C@@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000103250872 562820290 /nfs/dbraw/zinc/82/02/90/562820290.db2.gz LCQBPNWAJFSCIT-RPBOFIJWSA-N 1 0 501.555 7.850 1 0 KKAFRO CC[N@H+](CCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1)Cc1ccccc1OC ZINC000103251936 562820386 /nfs/dbraw/zinc/82/03/86/562820386.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 1 0 517.622 6.341 1 0 KKAFRO O=C(Nc1cnc2[nH]ccc2c1)N1CCC2(CC1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103260738 562821204 /nfs/dbraw/zinc/82/12/04/562821204.db2.gz ZQSLBYKHROGBNG-UHFFFAOYSA-N 1 0 530.072 6.919 1 0 KKAFRO O=c1oc2c(Cl)c(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)ccc2c2c1CCC2 ZINC000103268633 562822696 /nfs/dbraw/zinc/82/26/96/562822696.db2.gz ZPSMXADKWDNPGI-UHFFFAOYSA-N 1 0 510.993 6.254 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000103284184 562823730 /nfs/dbraw/zinc/82/37/30/562823730.db2.gz RRQLLDOTYWTHRZ-UUWRZZSWSA-N 1 0 607.751 5.412 1 0 KKAFRO CCn1cc(-c2nnc(-c3ccc(Nc4ccccc4)cc3)o2)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000103289943 562824060 /nfs/dbraw/zinc/82/40/60/562824060.db2.gz UIBMXAVVTPUAIL-UHFFFAOYSA-N 1 0 510.573 5.031 1 0 KKAFRO OC[C@H](O)C[N@@H+]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CCC[C@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000103297277 562824609 /nfs/dbraw/zinc/82/46/09/562824609.db2.gz OXQNPKNPAXQQDM-ZTJXOPACSA-N 1 0 519.729 7.162 1 0 KKAFRO CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]12c1cc(F)c(Cl)cc1NC2=O ZINC000113336568 562826436 /nfs/dbraw/zinc/82/64/36/562826436.db2.gz LUWJBEWUBHAOJO-AMKZZFPWSA-N 1 0 601.481 5.760 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N[C@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000114034363 562826950 /nfs/dbraw/zinc/82/69/50/562826950.db2.gz MGEPPNAWRUVOBH-FQEVSTJZSA-N 1 0 544.055 6.165 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5ccc(O)c(Cl)c5)cc43)cc2)CC1 ZINC000114038874 562827297 /nfs/dbraw/zinc/82/72/97/562827297.db2.gz CMQGBAVFCYTHBI-UHFFFAOYSA-N 1 0 527.068 6.345 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(C[NH+]5CCCC5)cc4)c3c2)cc(Cl)c1O ZINC000114038448 562827363 /nfs/dbraw/zinc/82/73/63/562827363.db2.gz JPJYOWKHNJXNCH-UHFFFAOYSA-N 1 0 513.037 7.125 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC000114097672 562827580 /nfs/dbraw/zinc/82/75/80/562827580.db2.gz OBQBEDFGLFICRM-HSZRJFAPSA-N 1 0 500.083 5.074 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000114101018 562827766 /nfs/dbraw/zinc/82/77/66/562827766.db2.gz IQTYJAHMASNGFY-AREMUKBSSA-N 1 0 510.122 5.554 1 0 KKAFRO Cc1cc(F)c(C(=O)N[C@H]2C/C=C/CCC(=O)Nc3cc(NC(=O)OCC[NH+](C)C)ccc3-c3[nH]c2nc3Cl)c(F)c1 ZINC000114230251 562827935 /nfs/dbraw/zinc/82/79/35/562827935.db2.gz RRVKMGRUSPIOBO-FNEOHHHZSA-N 1 0 601.054 5.577 1 0 KKAFRO COc1ccc(C(=O)Nc2cccc([C@@H](CC[NH+]3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114348680 562828076 /nfs/dbraw/zinc/82/80/76/562828076.db2.gz QSWPJTLRYDNNBP-HHHXNRCGSA-N 1 0 538.652 5.019 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12 ZINC000114348798 562828123 /nfs/dbraw/zinc/82/81/23/562828123.db2.gz MLRUASYAPWIQDS-VWLOTQADSA-N 1 0 544.606 5.288 1 0 KKAFRO CCOc1cc(C[NH+]2CCC3(CN(c4ccc(-c5nn[nH]n5)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114366399 562828137 /nfs/dbraw/zinc/82/81/37/562828137.db2.gz FDHOCJLWSFGGEP-UHFFFAOYSA-N 1 0 572.641 5.462 1 0 KKAFRO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[N@@H+]4CC[C@@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755816 562828438 /nfs/dbraw/zinc/82/84/38/562828438.db2.gz YFIAGILPWYUJOO-XMMPIXPASA-N 1 0 551.651 5.101 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(CCCF)cc1 ZINC000114978925 562828560 /nfs/dbraw/zinc/82/85/60/562828560.db2.gz KFTFIGOJPBAZFM-GDLZYMKVSA-N 1 0 557.131 5.908 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)cc1 ZINC000114981496 562828709 /nfs/dbraw/zinc/82/87/09/562828709.db2.gz SNSSOOWZWMKUDH-SANMLTNESA-N 1 0 531.505 5.659 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc(C3CC[NH+](C)CC3)cn2)c1=O ZINC000116053962 562829163 /nfs/dbraw/zinc/82/91/63/562829163.db2.gz KRLKLPCPLFGFPL-UHFFFAOYSA-N 1 0 627.786 5.775 1 0 KKAFRO Brc1c2nc(NCC[NH+]3CCCCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117199213 562829690 /nfs/dbraw/zinc/82/96/90/562829690.db2.gz MGBKBWCTCRIQSY-UHFFFAOYSA-N 1 0 559.926 5.511 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000118392120 562830301 /nfs/dbraw/zinc/83/03/01/562830301.db2.gz WVGSOXRZIVSEQO-UHFFFAOYSA-N 1 0 615.660 5.754 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([NH+](C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789990 562830545 /nfs/dbraw/zinc/83/05/45/562830545.db2.gz GYPIVOQVWAXHTL-QKUPIINXSA-N 1 0 590.208 7.292 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[N@H+](C)C3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789668 562830580 /nfs/dbraw/zinc/83/05/80/562830580.db2.gz FMWULHHMNFVCEP-JJJRTKIYSA-N 1 0 576.181 6.983 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([NH+](C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798413 562830717 /nfs/dbraw/zinc/83/07/17/562830717.db2.gz GYPIVOQVWAXHTL-SERWZODPSA-N 1 0 590.208 7.292 1 0 KKAFRO CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3C[C@H](O)[C@H]([C@H](C)[NH+](C)C)[C@@]3(C)CC[C@@H]12 ZINC000118921235 562830938 /nfs/dbraw/zinc/83/09/38/562830938.db2.gz CEFWIVSCALJZMU-XBZOXOFBSA-N 1 0 538.773 5.249 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529001 562832062 /nfs/dbraw/zinc/83/20/62/562832062.db2.gz UOYHHUKUSBEJQM-FDFHNCONSA-N 1 0 537.919 5.933 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000138610549 562832077 /nfs/dbraw/zinc/83/20/77/562832077.db2.gz YFJABXWNYRHAQJ-RBPYYZBISA-N 1 0 621.074 8.083 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000138611339 562832086 /nfs/dbraw/zinc/83/20/86/562832086.db2.gz LCLZHEAWGYJZLV-BZUDVJPZSA-N 1 0 617.643 6.312 1 0 KKAFRO CC[NH+]1CCN([C@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929115 562832278 /nfs/dbraw/zinc/83/22/78/562832278.db2.gz JVGNHFZOVWJKER-PMERELPUSA-N 1 0 533.680 5.468 1 0 KKAFRO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[NH+](C)C)cc5)c4)CC3)cn21 ZINC000139484703 562832509 /nfs/dbraw/zinc/83/25/09/562832509.db2.gz JAZLKGHXHRERHZ-ISILISOKSA-N 1 0 620.729 6.169 1 0 KKAFRO CC[NH+](CC)CCc1nnc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)s1 ZINC000139659480 562832701 /nfs/dbraw/zinc/83/27/01/562832701.db2.gz LBVKYHDBATZZLG-UHFFFAOYSA-N 1 0 517.581 5.088 1 0 KKAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]C1CCCCCCC1 ZINC000139961610 562832814 /nfs/dbraw/zinc/83/28/14/562832814.db2.gz SGGGBQRMXLDSJW-ZEQRLZLVSA-N 1 0 574.770 5.353 1 0 KKAFRO COc1cc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H]([NH3+])C[C@@H](C(F)(F)F)C3)n2)c(F)c1 ZINC000140156266 562832890 /nfs/dbraw/zinc/83/28/90/562832890.db2.gz ZRDMBRXDPSZGCR-QLFBSQMISA-N 1 0 506.475 5.456 1 0 KKAFRO COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000140480882 562833092 /nfs/dbraw/zinc/83/30/92/562833092.db2.gz KNHHEGBUUFWWFF-DIVCQZSQSA-N 1 0 596.780 5.023 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000141191604 562833546 /nfs/dbraw/zinc/83/35/46/562833546.db2.gz KLLDXBZAQVSONJ-UHFFFAOYSA-N 1 0 563.706 5.060 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C)c[nH]2)c1 ZINC000141469069 562833610 /nfs/dbraw/zinc/83/36/10/562833610.db2.gz PJNZMRYWHMYPCK-HHHXNRCGSA-N 1 0 501.606 6.196 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000141694433 562833731 /nfs/dbraw/zinc/83/37/31/562833731.db2.gz PZPLNOQYOFMMHL-UHFFFAOYSA-N 1 0 610.644 6.858 1 0 KKAFRO Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CC[NH2+]CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807930 562833784 /nfs/dbraw/zinc/83/37/84/562833784.db2.gz GXIQTOFJWLRYOF-IBGZPJMESA-N 1 0 507.667 5.706 1 0 KKAFRO C[C@@H](CCCc1ccc(F)cc1)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000142004615 562833913 /nfs/dbraw/zinc/83/39/13/562833913.db2.gz PIQWOQHEODPFLM-UIOOFZCWSA-N 1 0 561.782 8.868 1 0 KKAFRO Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)c1 ZINC000142205896 562834004 /nfs/dbraw/zinc/83/40/04/562834004.db2.gz QUVIJLUFZZROBR-NFBKMPQASA-N 1 0 525.523 5.320 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccc(C)cc3)c[nH]2)c1 ZINC000142255268 562834118 /nfs/dbraw/zinc/83/41/18/562834118.db2.gz QJTUFIIFXFYXOO-MHZLTWQESA-N 1 0 501.606 6.196 1 0 KKAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762569 562834323 /nfs/dbraw/zinc/83/43/23/562834323.db2.gz LVONMJJLVXJEPS-RDGATRHJSA-N 1 0 511.515 5.224 1 0 KKAFRO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143086974 562834571 /nfs/dbraw/zinc/83/45/71/562834571.db2.gz IGPIEMLVXSGTAA-QHCPKHFHSA-N 1 0 628.177 5.422 1 0 KKAFRO COc1cc(C(=O)NC2CCC([NH+](C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143086570 562834579 /nfs/dbraw/zinc/83/45/79/562834579.db2.gz XQXCAJMGKXRKLU-UHFFFAOYSA-N 1 0 586.140 5.651 1 0 KKAFRO C[N@@H+]1CCC[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143506839 562835080 /nfs/dbraw/zinc/83/50/80/562835080.db2.gz LFKAYWNVUDQMMN-ZETCQYMHSA-N 1 0 559.926 5.509 1 0 KKAFRO [NH3+][C@H]1CCCC[C@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143535411 562835115 /nfs/dbraw/zinc/83/51/15/562835115.db2.gz YUANQCCFWPCCDL-NTSWFWBYSA-N 1 0 545.899 5.295 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccccc4)s3)c3c2c(C(F)(F)F)ccc3O)CC1 ZINC000143538349 562835120 /nfs/dbraw/zinc/83/51/20/562835120.db2.gz CMLBXDFGXDFYFZ-UHFFFAOYSA-N 1 0 593.719 8.205 1 0 KKAFRO [NH3+]Cc1cccc(CNc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c1 ZINC000143597765 562835195 /nfs/dbraw/zinc/83/51/95/562835195.db2.gz JTDGEWNMGWWRMN-UHFFFAOYSA-N 1 0 567.905 5.684 1 0 KKAFRO C[C@@H]1C[N@@H+](Cc2cccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)c2)C[C@H](C)O1 ZINC000144981166 562836781 /nfs/dbraw/zinc/83/67/81/562836781.db2.gz AXZZLIJZGQLQEJ-WKNQAKRMSA-N 1 0 504.634 5.720 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\C[NH+](C)C ZINC000145220779 562836916 /nfs/dbraw/zinc/83/69/16/562836916.db2.gz LHHLPNVJMCVRGH-LSHDLFTRSA-N 1 0 551.022 5.753 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1onc2c1CCCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000145926037 562837775 /nfs/dbraw/zinc/83/77/75/562837775.db2.gz VBFFYCUZDQIVOT-UHFFFAOYSA-N 1 0 581.721 5.501 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145969234 562837834 /nfs/dbraw/zinc/83/78/34/562837834.db2.gz MROMILCKOGKKTN-UHFFFAOYSA-N 1 0 587.574 5.440 1 0 KKAFRO Fc1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H](C3CC[NH2+]CC3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000146285711 562838449 /nfs/dbraw/zinc/83/84/49/562838449.db2.gz DBEWFHNIASFCDS-KXQOOQHDSA-N 1 0 621.760 8.527 1 0 KKAFRO Cc1nc(-c2ccccc2)sc1C[NH2+]Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 ZINC000146377790 562838503 /nfs/dbraw/zinc/83/85/03/562838503.db2.gz QWQYKXGWANPMRS-UHFFFAOYSA-N 1 0 505.643 7.033 1 0 KKAFRO CC(C)CC(C)(C)C[C@H]1[N@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147137113 562839128 /nfs/dbraw/zinc/83/91/28/562839128.db2.gz PIWKUUTZFWFIOL-RFHZMROGSA-N 1 0 608.582 5.111 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148167063 562840393 /nfs/dbraw/zinc/84/03/93/562840393.db2.gz XWUSQMKBZCSJKA-UHFFFAOYSA-N 1 0 625.725 5.294 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccnc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC(CC[NH+](C)C)CC3)nc21 ZINC000148377327 562841213 /nfs/dbraw/zinc/84/12/13/562841213.db2.gz RUCXUHBXTHRBKJ-UHFFFAOYSA-N 1 0 567.742 5.585 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OCC2CCCCC2)n1 ZINC000148464311 562841432 /nfs/dbraw/zinc/84/14/32/562841432.db2.gz CJDXKHSSBTYOGQ-UHFFFAOYSA-N 1 0 521.584 5.031 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc5c4ccn5Cc4cccc(F)c4)CC3)cc2N1 ZINC000148674071 562841618 /nfs/dbraw/zinc/84/16/18/562841618.db2.gz RUARTZMULZTFHQ-UHFFFAOYSA-N 1 0 526.656 5.695 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000148834440 562841844 /nfs/dbraw/zinc/84/18/44/562841844.db2.gz NDAUVHAXPXTAMJ-DEOSSOPVSA-N 1 0 512.094 5.366 1 0 KKAFRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148850578 562841884 /nfs/dbraw/zinc/84/18/84/562841884.db2.gz JLCSBEYIVBVEFV-QHCPKHFHSA-N 1 0 515.094 5.715 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000148868782 562841914 /nfs/dbraw/zinc/84/19/14/562841914.db2.gz HZDMBSQXOULJJV-VWLOTQADSA-N 1 0 508.106 6.054 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000148886847 562841963 /nfs/dbraw/zinc/84/19/63/562841963.db2.gz RXVLLQQUQSKKRR-VWLOTQADSA-N 1 0 508.106 6.433 1 0 KKAFRO COc1cc(F)ccc1C[N@@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148942547 562842000 /nfs/dbraw/zinc/84/20/00/562842000.db2.gz LCIDHVYSTRBEEO-QFIPXVFZSA-N 1 0 519.057 5.546 1 0 KKAFRO COC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)cn1 ZINC000150242662 562843003 /nfs/dbraw/zinc/84/30/03/562843003.db2.gz BPIQCLZAONJTIW-UHFFFAOYSA-N 1 0 525.612 6.403 1 0 KKAFRO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000150363879 562843341 /nfs/dbraw/zinc/84/33/41/562843341.db2.gz NQBHHXONDCQLRN-NWPKOSFFSA-N 1 0 852.376 6.417 1 0 KKAFRO C[NH+](C)CCCC(=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150525145 562843743 /nfs/dbraw/zinc/84/37/43/562843743.db2.gz NUWIKFIGCLGSTI-UUWRZZSWSA-N 1 0 734.742 5.802 1 0 KKAFRO C[NH+](C)CCCC(=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150525142 562843756 /nfs/dbraw/zinc/84/37/56/562843756.db2.gz NUWIKFIGCLGSTI-UMSFTDKQSA-N 1 0 734.742 5.802 1 0 KKAFRO CC(C)(C)Oc1ccc(C[C@@H]2[NH2+][C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000150546406 562844465 /nfs/dbraw/zinc/84/44/65/562844465.db2.gz QTNSQIABBSIQJF-WQEFHEACSA-N 1 0 733.490 7.696 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Br)cc1)C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C ZINC000150547624 562844500 /nfs/dbraw/zinc/84/45/00/562844500.db2.gz ZPLNKSVNSSPDBX-BMYMHALSSA-N 1 0 854.847 5.280 1 0 KKAFRO Cc1c(C(=O)NCCC[NH2+]CCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000150570659 562845078 /nfs/dbraw/zinc/84/50/78/562845078.db2.gz XJGCZUXTCZYDGW-UHFFFAOYSA-N 1 0 858.485 10.459 1 0 KKAFRO COc1ccc([C@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588792 562846064 /nfs/dbraw/zinc/84/60/64/562846064.db2.gz DEHAHKKDJRYULL-RKGUSQQBSA-N 1 0 801.930 6.270 1 0 KKAFRO NC(=O)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000150595632 562846614 /nfs/dbraw/zinc/84/66/14/562846614.db2.gz JJWHGZUFYLGJMF-AMAPPZPBSA-N 1 0 847.795 6.853 1 0 KKAFRO CS(=O)(=O)Nc1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599798 562847071 /nfs/dbraw/zinc/84/70/71/562847071.db2.gz LXXGTJCULKOZOM-UHFFFAOYSA-N 1 0 690.238 6.502 1 0 KKAFRO CNC(=O)C[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000162986588 562849301 /nfs/dbraw/zinc/84/93/01/562849301.db2.gz LVVWMSJGQCRQKQ-UHFFFAOYSA-N 1 0 648.834 5.352 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3ccc(Cl)c(F)c3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000163556769 562849357 /nfs/dbraw/zinc/84/93/57/562849357.db2.gz SCNPIHNFDIZJRI-LOTCMDSXSA-N 1 0 631.507 5.768 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cc(F)ccc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166621980 562850458 /nfs/dbraw/zinc/85/04/58/562850458.db2.gz JLBXHIADLAERJV-UHFFFAOYSA-N 1 0 517.612 6.162 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1nc(Cl)ccc12)N1CC[C@@]2(C=Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC000167117977 562850641 /nfs/dbraw/zinc/85/06/41/562850641.db2.gz ZLADFTQKDXFOSW-RWIOMCGXSA-N 1 0 510.081 5.857 1 0 KKAFRO O=C([C@@H]1C[NH2+]C[C@]12CCCc1nc(Cl)ccc12)N1CC[C@]2(C=Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC000167117868 562850644 /nfs/dbraw/zinc/85/06/44/562850644.db2.gz ZLADFTQKDXFOSW-ULUUNXIZSA-N 1 0 510.081 5.857 1 0 KKAFRO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@@H+]4CCCOCC4)c3)CC2)cs1 ZINC000167323904 562850732 /nfs/dbraw/zinc/85/07/32/562850732.db2.gz AUNBWLAPOMPOPZ-MKPDMIMOSA-N 1 0 659.784 5.844 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6cccc(C)n6)[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167487993 562850904 /nfs/dbraw/zinc/85/09/04/562850904.db2.gz NCPAIVXJNWJIFA-UHFFFAOYSA-N 1 0 577.643 5.913 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000168017952 562851215 /nfs/dbraw/zinc/85/12/15/562851215.db2.gz KDXMKTNMKGKCQD-OWRPTYIMSA-N 1 0 557.617 5.480 1 0 KKAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C21CC1 ZINC000168418654 562851358 /nfs/dbraw/zinc/85/13/58/562851358.db2.gz PBOPWQNHQHNJHJ-GMQQQROESA-N 1 0 554.451 5.227 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302345 562853058 /nfs/dbraw/zinc/85/30/58/562853058.db2.gz ZRIWAGNSSSNQQM-JGOGGBIOSA-N 1 0 759.454 6.966 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000169302811 562853128 /nfs/dbraw/zinc/85/31/28/562853128.db2.gz FFCYKKLTWJEXAI-SANMLTNESA-N 1 0 558.000 6.517 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000169302809 562853149 /nfs/dbraw/zinc/85/31/49/562853149.db2.gz FFCYKKLTWJEXAI-AREMUKBSSA-N 1 0 558.000 6.517 3 0 KKAFRO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000169303233 562853158 /nfs/dbraw/zinc/85/31/58/562853158.db2.gz NEFWYBQTGGELJS-YMZJSSRLSA-N 1 0 623.823 5.516 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312227 562855303 /nfs/dbraw/zinc/85/53/03/562855303.db2.gz BAFXUENWHNQFKY-PXJZQJOASA-N 1 0 500.664 6.464 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]n1 ZINC000169312775 562855427 /nfs/dbraw/zinc/85/54/27/562855427.db2.gz RHOPKNMJWBQEOA-UHFFFAOYSA-N 1 0 591.152 8.064 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CC ZINC000169312777 562855429 /nfs/dbraw/zinc/85/54/29/562855429.db2.gz JTCNJOMLJOKABH-UHFFFAOYSA-N 1 0 619.206 8.558 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+]([C@H](C)c3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321682 562856724 /nfs/dbraw/zinc/85/67/24/562856724.db2.gz YQNYMXZOKWDFDZ-HSZRJFAPSA-N 1 0 560.673 7.295 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(OC)c2)cc1 ZINC000169323692 562857137 /nfs/dbraw/zinc/85/71/37/562857137.db2.gz SRJFMCQYJFRTOX-IOIIXNGISA-N 1 0 547.655 5.490 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324441 562857370 /nfs/dbraw/zinc/85/73/70/562857370.db2.gz QYMLZRHRRKIIJF-UHFFFAOYSA-N 1 0 605.827 7.773 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169325207 562857556 /nfs/dbraw/zinc/85/75/56/562857556.db2.gz JZNCJJQQLROFJQ-UHFFFAOYSA-N 1 0 534.748 8.266 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCN(CCn1nnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327051 562858053 /nfs/dbraw/zinc/85/80/53/562858053.db2.gz GVKKRJSZIVGNTJ-UHFFFAOYSA-N 1 0 636.679 5.692 1 0 KKAFRO CCOc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(NC(=O)C4CCCC4)sc3c2)C1 ZINC000169327434 562858078 /nfs/dbraw/zinc/85/80/78/562858078.db2.gz GBQPZULTPMQQHT-RPWUZVMVSA-N 1 0 570.759 7.264 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327531 562858117 /nfs/dbraw/zinc/85/81/17/562858117.db2.gz TYNQIXXVTVDHLT-XKKJXBDVSA-N 1 0 548.683 6.263 1 0 KKAFRO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333542 562859300 /nfs/dbraw/zinc/85/93/00/562859300.db2.gz NGQYXAWILGXRCI-CPXSKMHZSA-N 1 0 501.885 7.454 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333851 562859350 /nfs/dbraw/zinc/85/93/50/562859350.db2.gz PYDDHNOXLVKLPY-MUUNZHRXSA-N 1 0 569.539 9.723 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334057 562859419 /nfs/dbraw/zinc/85/94/19/562859419.db2.gz PSHHPVBEOOCKRH-DEOSSOPVSA-N 1 0 609.438 8.746 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCN(C)CC1)C(=O)NC1CCCC1 ZINC000169333986 562859427 /nfs/dbraw/zinc/85/94/27/562859427.db2.gz NYTRKORMFOLESR-QYTPMBOVSA-N 1 0 588.947 6.490 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169334293 562859444 /nfs/dbraw/zinc/85/94/44/562859444.db2.gz JCAKUNXXBBAYBT-XMMPIXPASA-N 1 0 541.441 7.727 1 0 KKAFRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335663 562859651 /nfs/dbraw/zinc/85/96/51/562859651.db2.gz MPHJMDVXKLISDX-GDLZYMKVSA-N 1 0 566.630 9.169 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335987 562859751 /nfs/dbraw/zinc/85/97/51/562859751.db2.gz DXZBXFXATCWMIK-BCGVSBSESA-N 1 0 564.614 8.892 1 0 KKAFRO Nc1ccc2c3c1cccc3C(=O)N(CCCCCCOc1cccc3c1CCC[C@H]3CCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000169337000 562859913 /nfs/dbraw/zinc/85/99/13/562859913.db2.gz FXSQHPHHAIFUIN-PMERELPUSA-N 1 0 650.908 7.808 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)C[C@@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000169338020 562860215 /nfs/dbraw/zinc/86/02/15/562860215.db2.gz VYAUYFLQSXKPRH-YCRPNKLZSA-N 1 0 511.466 6.090 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000169338634 562860310 /nfs/dbraw/zinc/86/03/10/562860310.db2.gz JMCOUXKMURIBCQ-VTRXWXBFSA-N 1 0 515.694 5.141 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000169338639 562860321 /nfs/dbraw/zinc/86/03/21/562860321.db2.gz YFBHWYAQYNXSFZ-JTTXIWGLSA-N 1 0 522.085 5.178 1 0 KKAFRO CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](C)CCCCC3)ncc1Cl ZINC000169345225 562861552 /nfs/dbraw/zinc/86/15/52/562861552.db2.gz DUETYWKLKOISFN-UHFFFAOYSA-N 1 0 509.054 5.186 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3cnc(-c4ccccc4)cn3)c3c2c(Cl)ccc3O)CC1 ZINC000169347482 562861982 /nfs/dbraw/zinc/86/19/82/562861982.db2.gz LNQFVPAZVVASLK-UHFFFAOYSA-N 1 0 554.138 7.778 1 0 KKAFRO COC(=O)c1ccc(O)c2c1C1(CN2c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC[NH+](CC(C)(C)C)CC1 ZINC000169348368 562862166 /nfs/dbraw/zinc/86/21/66/562862166.db2.gz BEVLLXJNRJKQHJ-UHFFFAOYSA-N 1 0 626.676 7.253 1 0 KKAFRO CN1C(=O)OC2(CC[NH+](CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169348418 562862263 /nfs/dbraw/zinc/86/22/63/562862263.db2.gz GXKBHFYZTAQYCX-ANHUGMMASA-N 1 0 685.624 5.194 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350409 562862779 /nfs/dbraw/zinc/86/27/79/562862779.db2.gz HCMHGGVUBAQHQZ-UHFFFAOYSA-N 1 0 637.712 6.455 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350722 562862918 /nfs/dbraw/zinc/86/29/18/562862918.db2.gz DBLRBWBNPSEDCB-UHFFFAOYSA-N 1 0 665.766 7.091 1 0 KKAFRO O=C(OC[C@H]([C@@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353286 562863475 /nfs/dbraw/zinc/86/34/75/562863475.db2.gz ZDIFOSOAJVECSC-RRTCDKLQSA-N 1 0 624.789 6.712 1 0 KKAFRO CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169361391 562864208 /nfs/dbraw/zinc/86/42/08/562864208.db2.gz CLWKFAZQUOWPKF-ZUJQWRSSSA-N 1 0 644.765 5.482 1 0 KKAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@H+](CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000169686896 562865125 /nfs/dbraw/zinc/86/51/25/562865125.db2.gz PLWWMLKFJZRSNN-LHEWISCISA-N 1 0 656.791 5.395 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695152 562865757 /nfs/dbraw/zinc/86/57/57/562865757.db2.gz GHSAQFBEVBKLAC-DQEYMECFSA-N 1 0 504.652 5.244 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696794 562866377 /nfs/dbraw/zinc/86/63/77/562866377.db2.gz PKNHUPGZFBLNGU-AREMUKBSSA-N 1 0 500.668 6.126 1 0 KKAFRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700221 562867593 /nfs/dbraw/zinc/86/75/93/562867593.db2.gz KVGPVCYSGPUFTJ-FQCWUYQVSA-N 1 0 598.578 5.583 1 0 KKAFRO CC(=O)Oc1cccc(C[N@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702054 562868159 /nfs/dbraw/zinc/86/81/59/562868159.db2.gz VICCPXIMFPISQJ-DEOSSOPVSA-N 1 0 529.077 5.323 1 0 KKAFRO CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(OCC[NH+]4CCCC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702177 562868198 /nfs/dbraw/zinc/86/81/98/562868198.db2.gz LPSQVIVROHUSMB-VWLOTQADSA-N 1 0 538.696 5.744 1 0 KKAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702204 562868247 /nfs/dbraw/zinc/86/82/47/562868247.db2.gz REJXPVDGVBXCKX-GOSISDBHSA-N 1 0 530.076 5.361 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702421 562868387 /nfs/dbraw/zinc/86/83/87/562868387.db2.gz PWLAKBPKQLBFTJ-OAQYLSRUSA-N 1 0 642.204 5.983 1 0 KKAFRO CCOc1cc(C[NH+]2CCC3(CN(c4cncc(O)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702634 562868455 /nfs/dbraw/zinc/86/84/55/562868455.db2.gz CSDQPSKKHPQCBH-UHFFFAOYSA-N 1 0 521.589 5.382 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(C)c2N(C)C(C)=O)n1 ZINC000169703988 562868932 /nfs/dbraw/zinc/86/89/32/562868932.db2.gz VXWOTYGJLIQDHS-UHFFFAOYSA-N 1 0 586.615 5.155 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@H]1c1ccccc1C(F)(F)F ZINC000169704497 562868995 /nfs/dbraw/zinc/86/89/95/562868995.db2.gz NQFPBDXHJVEPEB-MHZLTWQESA-N 1 0 651.604 6.900 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1ccccc1C(F)(F)F ZINC000169704493 562869005 /nfs/dbraw/zinc/86/90/05/562869005.db2.gz RXYDEYVIJXLWSI-AREMUKBSSA-N 1 0 605.535 6.603 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169704537 562869069 /nfs/dbraw/zinc/86/90/69/562869069.db2.gz DEAYNPYVLBXTJG-RUZDIDTESA-N 1 0 595.971 7.527 3 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705441 562869377 /nfs/dbraw/zinc/86/93/77/562869377.db2.gz SLDHXOHIMFEVPD-XMMPIXPASA-N 1 0 542.043 6.258 1 0 KKAFRO CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)NCCC[NH+]4CCCC4)C3)c2)c1 ZINC000169710129 562870490 /nfs/dbraw/zinc/87/04/90/562870490.db2.gz IWMWSMNALZILSU-UHFFFAOYSA-N 1 0 525.697 5.236 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3C[NH+](CC)C3)cc2)c1 ZINC000169711516 562870980 /nfs/dbraw/zinc/87/09/80/562870980.db2.gz LNEOPFXCRJWSOT-UHFFFAOYSA-N 1 0 557.651 5.103 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711620 562871132 /nfs/dbraw/zinc/87/11/32/562871132.db2.gz UEWJORGRHZQRHV-UHFFFAOYSA-N 1 0 571.678 5.493 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CC[NH2+]CC2)cc1Cl ZINC000199939116 562873176 /nfs/dbraw/zinc/87/31/76/562873176.db2.gz WZELAXINRXHZED-UHFFFAOYSA-N 1 0 509.450 5.084 1 0 in-vitro KKAFRO CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCC2CC[NH+](C)CC2)cc1Cl ZINC000199940627 562873177 /nfs/dbraw/zinc/87/31/77/562873177.db2.gz VHJREOZNHURPGO-UHFFFAOYSA-N 1 0 501.524 5.223 1 0 KKAFRO Cc1cc(C2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(N)=O)n1 ZINC000201543830 562873506 /nfs/dbraw/zinc/87/35/06/562873506.db2.gz KAVPZFNKRGDVLL-UHFFFAOYSA-N 1 0 511.592 5.170 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)C)c4CN4CC[NH+](C(C)(C)C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204430381 562874503 /nfs/dbraw/zinc/87/45/03/562874503.db2.gz NZPVNHMXVIPKML-UHFFFAOYSA-N 1 0 571.774 5.451 1 0 KKAFRO CC[NH+](CC)[C@H]1CCO[C@H](c2c(-c3ccc4c(c3)OCCn3cc(-c5nc(C)nn5C(C)C)nc3-4)cnn2C)C1 ZINC000204430668 562874517 /nfs/dbraw/zinc/87/45/17/562874517.db2.gz JUCFCEMDRWPMSZ-CUNXSJBXSA-N 1 0 544.704 5.053 1 0 KKAFRO c1nc2c(ncnc2SCc2ccccc2)n1Cc1ccc(-c2ccc(C[n+]3ccc(N4CCCC4)cc3)cc2)cc1 ZINC000205024879 562874734 /nfs/dbraw/zinc/87/47/34/562874734.db2.gz DTTFLCZOGFRDDA-UHFFFAOYSA-N 1 0 569.758 6.770 1 0 KKAFRO [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2ccc(CC(=O)OC3CCCC3)cc2)c1 ZINC000206446725 562876461 /nfs/dbraw/zinc/87/64/61/562876461.db2.gz BSHOGYLAGNKCLK-UHFFFAOYSA-N 1 0 566.633 5.879 1 0 KKAFRO C[NH+](C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(C(F)(F)F)cc43)ccc2=O)c1 ZINC000206909811 562876590 /nfs/dbraw/zinc/87/65/90/562876590.db2.gz IYVBCENNCHPDSE-UHFFFAOYSA-N 1 0 527.547 5.145 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1 ZINC000207280890 562876695 /nfs/dbraw/zinc/87/66/95/562876695.db2.gz IAKYDYYOYGXWAX-UHFFFAOYSA-N 1 0 506.090 6.014 1 0 KKAFRO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCC[NH+]1CCCCC1)c2=O ZINC000209542954 562876884 /nfs/dbraw/zinc/87/68/84/562876884.db2.gz IPAIKMDYRHAXLO-UHFFFAOYSA-N 1 0 527.614 5.148 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000213801823 562877216 /nfs/dbraw/zinc/87/72/16/562877216.db2.gz VKSHQYSRUGRAHY-SOFGYWHQSA-N 1 0 563.058 5.082 1 0 KKAFRO COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+]1CCCCC1 ZINC000214018947 562877291 /nfs/dbraw/zinc/87/72/91/562877291.db2.gz PBUHNKLFJPQTHB-AATRIKPKSA-N 1 0 514.001 5.172 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCC[NH2+]C3CCCCC3)O5)ccc2OC)c1 ZINC000214533493 562877321 /nfs/dbraw/zinc/87/73/21/562877321.db2.gz YCQVAILDHPFTDO-SSEXGKCCSA-N 1 0 611.695 6.132 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000219350107 562878039 /nfs/dbraw/zinc/87/80/39/562878039.db2.gz FORXTHZILJHNGU-UHFFFAOYSA-N 1 0 502.014 6.667 1 0 KKAFRO C[C@H](Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(OCCC[NH+](C)C)cc1F)C(F)(F)F ZINC000219548001 562878262 /nfs/dbraw/zinc/87/82/62/562878262.db2.gz IGEJGBUHEHPNMR-LBPRGKRZSA-N 1 0 516.902 5.225 1 0 KKAFRO O=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000219859789 562878299 /nfs/dbraw/zinc/87/82/99/562878299.db2.gz IFGHBOINVBTUBN-UHFFFAOYSA-N 1 0 500.002 5.402 1 0 KKAFRO CCC[NH2+][C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)NC(=O)c4ccc(OC)c(C)c4)c3)sc2C1 ZINC000220424197 562878470 /nfs/dbraw/zinc/87/84/70/562878470.db2.gz RPMYHBJDVAJJFF-GCJKJVERSA-N 1 0 506.672 5.060 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]1 ZINC000221967414 562879430 /nfs/dbraw/zinc/87/94/30/562879430.db2.gz SLDGZGQQLYHHCJ-QJOMJCCJSA-N 1 0 525.678 5.678 1 0 KKAFRO COc1ccc(C(C)(C)C)cc1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223679444 562880149 /nfs/dbraw/zinc/88/01/49/562880149.db2.gz WFELJEDTHRYJDR-DEOSSOPVSA-N 1 0 537.733 7.017 1 0 KKAFRO [NH3+][C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cc(C(F)(F)F)[nH]n3)csc21)Cc1ccccc1 ZINC000223692202 562880160 /nfs/dbraw/zinc/88/01/60/562880160.db2.gz QTYHLYNWGAPKDM-AWEZNQCLSA-N 1 0 513.524 5.283 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)[C@H]2c3cccc(OCCC4CC[NH2+]CC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1 ZINC000224068939 562880252 /nfs/dbraw/zinc/88/02/52/562880252.db2.gz RVFZCMYFXWGUAI-BZASRWHJSA-N 1 0 702.187 5.178 1 0 KKAFRO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000253635611 562882234 /nfs/dbraw/zinc/88/22/34/562882234.db2.gz XOQWEZVGZTXXBC-HBDUOBNSSA-N 1 0 531.737 5.287 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)C[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000253639386 562882536 /nfs/dbraw/zinc/88/25/36/562882536.db2.gz SZHLSHQSEDXOSN-HDBFZYDSSA-N 1 0 572.746 6.158 1 0 KKAFRO C[NH+]1CCN(CCCOc2ccc([C@H]3O[C@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000253656010 562882655 /nfs/dbraw/zinc/88/26/55/562882655.db2.gz ONCHPBKAGOWLIQ-WLNZHLEZSA-N 1 0 527.492 6.538 1 0 KKAFRO O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CCOC3)CC2)CC1 ZINC000253673738 562882737 /nfs/dbraw/zinc/88/27/37/562882737.db2.gz ANNTYLPRTLHHJC-QYDYLWNGSA-N 1 0 608.667 7.771 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cc1-c1cccc(O)c1 ZINC000299826347 562883835 /nfs/dbraw/zinc/88/38/35/562883835.db2.gz ZFUPGKJAMGNYNJ-UHFFFAOYSA-N 1 0 508.618 6.460 1 0 KKAFRO CC1(C)CC(NC(=O)[C@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)[NH2+]1 ZINC000299826510 562883876 /nfs/dbraw/zinc/88/38/76/562883876.db2.gz PIKWSDJWXJYVOD-BHVANESWSA-N 1 0 700.707 8.448 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H](C)[NH+](C)[C@@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299826950 562884033 /nfs/dbraw/zinc/88/40/33/562884033.db2.gz FJTHZODJYYGEFT-GOTSBHOMSA-N 1 0 568.722 5.230 1 0 KKAFRO C[NH+](C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc21 ZINC000299828289 562884425 /nfs/dbraw/zinc/88/44/25/562884425.db2.gz HYVIAHKUWDWCSP-UHFFFAOYSA-N 1 0 515.470 6.673 1 0 KKAFRO Cc1c(Nc2ncnc3ccccc32)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1C ZINC000299829925 562885049 /nfs/dbraw/zinc/88/50/49/562885049.db2.gz IEXDEOIDEMDRGW-UHFFFAOYSA-N 1 0 532.652 5.648 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCCC[C@@H]4C[NH3+])c4ccc(C)cc34)cc2)c1C ZINC000299831871 562885733 /nfs/dbraw/zinc/88/57/33/562885733.db2.gz OPMWQKMHURGSRY-RUZDIDTESA-N 1 0 554.695 5.019 1 0 KKAFRO CCNC(=O)N[C@@H](CC[NH+]1CCC(c2c3ccc(F)cc3n(-c3ccc(C(=O)OC)cn3)c2CC)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000299834361 562886442 /nfs/dbraw/zinc/88/64/42/562886442.db2.gz LGOIHCUQXWJJQO-SANMLTNESA-N 1 0 668.641 7.320 1 0 KKAFRO CN(C(=O)CN(CC(=O)NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299834436 562886470 /nfs/dbraw/zinc/88/64/70/562886470.db2.gz XXNWVXIJINZVON-SANMLTNESA-N 1 0 595.571 5.476 1 0 KKAFRO FC(F)(F)c1cc(-n2cc(CN3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299835176 562886771 /nfs/dbraw/zinc/88/67/71/562886771.db2.gz LXAUTZXCESXEPQ-UHFFFAOYSA-N 1 0 564.578 5.795 1 0 KKAFRO Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(NCC[NH+](C)C)n1 ZINC000299836246 562887075 /nfs/dbraw/zinc/88/70/75/562887075.db2.gz MZOBZDVFDCQUAV-UHFFFAOYSA-N 1 0 530.636 6.386 1 0 KKAFRO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836394 562887153 /nfs/dbraw/zinc/88/71/53/562887153.db2.gz ZQSWUZJRLPTXDM-PMERELPUSA-N 1 0 525.737 6.032 1 0 KKAFRO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836395 562887162 /nfs/dbraw/zinc/88/71/62/562887162.db2.gz ZQSWUZJRLPTXDM-SSEXGKCCSA-N 1 0 525.737 6.032 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299838197 562887719 /nfs/dbraw/zinc/88/77/19/562887719.db2.gz MEARMKCEZNFBCT-UHFFFAOYSA-N 1 0 705.762 7.766 1 0 KKAFRO CC[NH+](CC)C[C@H](C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O ZINC000299838252 562887767 /nfs/dbraw/zinc/88/77/67/562887767.db2.gz UAUYKEODFYYCJV-PUNARZIMSA-N 1 0 758.958 6.540 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C)c2C)cc1F ZINC000299839242 562888116 /nfs/dbraw/zinc/88/81/16/562888116.db2.gz XHOMYTXWOSNFKJ-UHFFFAOYSA-N 1 0 638.744 7.125 1 0 KKAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nc3nc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840236 562888479 /nfs/dbraw/zinc/88/84/79/562888479.db2.gz WEPJXNOWNHMCFH-UHFFFAOYSA-N 1 0 616.648 5.970 1 0 KKAFRO Cc1ccc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299846973 562889752 /nfs/dbraw/zinc/88/97/52/562889752.db2.gz BMOJETYKOWBJNF-VIZCGCQYSA-N 1 0 616.688 6.791 1 0 KKAFRO COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](C5CC[NH+](C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1 ZINC000299848899 562890338 /nfs/dbraw/zinc/89/03/38/562890338.db2.gz OBDZFXLPCBGQSA-LSNLESRRSA-N 1 0 550.711 5.624 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(F)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299854701 562891434 /nfs/dbraw/zinc/89/14/34/562891434.db2.gz BBQIACSWOIWMLF-UHFFFAOYSA-N 1 0 538.623 5.327 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3cc(-c4cccnc4)ccc32)C1 ZINC000299854765 562891464 /nfs/dbraw/zinc/89/14/64/562891464.db2.gz ANARUSDEEXNZJU-YUJJRVTMSA-N 1 0 547.665 7.124 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@@H+](Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 562891630 /nfs/dbraw/zinc/89/16/30/562891630.db2.gz DEYKOEXQQNSWIG-RUZDIDTESA-N 1 0 539.164 5.145 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@H]2CCc3cc(I)ccc32)C1 ZINC000299855541 562891696 /nfs/dbraw/zinc/89/16/96/562891696.db2.gz BHLBJCDZJLBHJT-NIYJGHKDSA-N 1 0 596.475 6.667 1 0 KKAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856214 562891901 /nfs/dbraw/zinc/89/19/01/562891901.db2.gz IRXPYSOEJZVFBM-MHZLTWQESA-N 1 0 605.198 6.269 1 0 KKAFRO O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299856877 562892019 /nfs/dbraw/zinc/89/20/19/562892019.db2.gz KOGOWAAONOEWOD-UHFFFAOYSA-N 1 0 543.042 5.972 1 0 KKAFRO COc1cc2c(cc1Br)CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 ZINC000299858329 562892417 /nfs/dbraw/zinc/89/24/17/562892417.db2.gz GIZBLHTXSSIYHP-OKEQGEBHSA-N 1 0 579.501 6.833 1 0 KKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299858297 562892448 /nfs/dbraw/zinc/89/24/48/562892448.db2.gz DOWMDQVQVVIGRQ-DHUJRADRSA-N 1 0 578.801 6.002 1 0 KKAFRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 ZINC000299859153 562892610 /nfs/dbraw/zinc/89/26/10/562892610.db2.gz HRFPOOBZYGYGFI-YACZLULDSA-N 1 0 607.555 7.784 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1ccc(C(=O)Nc3ccccc3N)cc1)CC2 ZINC000299859134 562892617 /nfs/dbraw/zinc/89/26/17/562892617.db2.gz HOJQCQBLATVWAW-SANMLTNESA-N 1 0 581.669 5.360 1 0 KKAFRO CC[NH+](CC)Cc1cc2ccccc2n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 ZINC000299860412 562892945 /nfs/dbraw/zinc/89/29/45/562892945.db2.gz JGSUMIZBVYXSPM-QHCPKHFHSA-N 1 0 537.085 5.942 1 0 KKAFRO CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C[NH2+]CCNc3ccnc4cc(Cl)ccc43)s2)cc1 ZINC000299863602 562893870 /nfs/dbraw/zinc/89/38/70/562893870.db2.gz LEYGOVHZCQYSEU-UHFFFAOYSA-N 1 0 509.075 7.165 1 0 KKAFRO C[NH+](C)CCC1CCN(C(=O)c2cccc(N3c4ccccc4[C@]4(C[C@@H]4c4ccc(Cl)cc4)C3=O)c2)CC1 ZINC000299863642 562893895 /nfs/dbraw/zinc/89/38/95/562893895.db2.gz LHAICUAARRZQFU-NSJVFKKDSA-N 1 0 528.096 6.248 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000299866776 562894747 /nfs/dbraw/zinc/89/47/47/562894747.db2.gz WUHVASUBTOYMAX-SHQBLQIYSA-N 1 0 500.609 5.221 1 0 KKAFRO Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(C3CCCCC3)n(CCN[C@@H]3CC[NH2+]C3)n2)c1 ZINC000299867097 562894805 /nfs/dbraw/zinc/89/48/05/562894805.db2.gz PVXJRIXYRKJIBI-HSZRJFAPSA-N 1 0 576.685 5.644 1 0 KKAFRO C[NH+](C)Cc1cc2ccccc2n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 ZINC000299868025 562895025 /nfs/dbraw/zinc/89/50/25/562895025.db2.gz ZGBZVZGVZSDULH-NRFANRHFSA-N 1 0 509.031 5.162 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000299868184 562895039 /nfs/dbraw/zinc/89/50/39/562895039.db2.gz RDGVRINGVXYPKI-KYCVNAJHSA-N 1 0 504.674 7.656 1 0 KKAFRO 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)CCC[NH+]2CCCCC2)[C@@]1(C)CC3 ZINC000299868628 562895165 /nfs/dbraw/zinc/89/51/65/562895165.db2.gz RYCSQZFKVZACQS-VSWPDREUSA-N 1 0 511.835 8.570 1 0 KKAFRO CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)cc3)c(N)c2)c2ccccc21 ZINC000377820000 562896172 /nfs/dbraw/zinc/89/61/72/562896172.db2.gz UNRPTIUQCHOLKF-UHFFFAOYSA-O 1 0 531.684 6.559 1 0 KKAFRO CC(=O)Nc1ccc2c(c1)n(C)ccc2=Nc1ccc(NC(=O)c2ccc(Nc3cc[n+](C)cc3)cc2)cc1 ZINC000377848939 562896508 /nfs/dbraw/zinc/89/65/08/562896508.db2.gz QQDOTJJUEQWOTI-UHFFFAOYSA-O 1 0 517.613 5.190 1 0 KKAFRO CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848926 562896510 /nfs/dbraw/zinc/89/65/10/562896510.db2.gz KHSIDRRULOFQID-UHFFFAOYSA-N 1 0 515.661 6.980 1 0 KKAFRO CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)c(N)c3)c(N)c2)c2ccccc21 ZINC000377848925 562896521 /nfs/dbraw/zinc/89/65/21/562896521.db2.gz KFGHPELZXTTWJQ-UHFFFAOYSA-O 1 0 518.645 5.361 1 0 KKAFRO O=c1sc2ccccc2n1CCCCCC[NH+]1CCN(CCCCCn2c3ccccc3sc2=O)CC1 ZINC000473083138 562896780 /nfs/dbraw/zinc/89/67/80/562896780.db2.gz MOXZXTRBGJTDDX-UHFFFAOYSA-N 1 0 538.783 5.488 1 0 KKAFRO CN(CC[NH+]1CCCC1)C(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000473086217 562897034 /nfs/dbraw/zinc/89/70/34/562897034.db2.gz HEERRBPBDDCWTG-UHFFFAOYSA-N 1 0 609.598 5.772 1 0 KKAFRO CCCCCCNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086810 562897092 /nfs/dbraw/zinc/89/70/92/562897092.db2.gz CUSMDTSIZNVXNX-PMERELPUSA-N 1 0 529.725 6.154 1 0 KKAFRO C=CC(=O)Nc1cccc(CSc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000473088511 562897322 /nfs/dbraw/zinc/89/73/22/562897322.db2.gz INEGCWHUCAWJDA-UHFFFAOYSA-N 1 0 525.078 5.051 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](Cc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000473088672 562897352 /nfs/dbraw/zinc/89/73/52/562897352.db2.gz PHDAIHPODSWMSQ-MGBGTMOVSA-N 1 0 659.835 5.960 1 0 KKAFRO Oc1ccc(C[C@H]2CN3C(=CC4=[NH+]C[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1 ZINC000473097929 562897962 /nfs/dbraw/zinc/89/79/62/562897962.db2.gz DRTBLPHNDVXELL-AFEGWXKPSA-N 1 0 584.764 5.661 1 0 KKAFRO C[C@H]1Cc2ccccc2C2(CC[NH+](CC[C@H](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 ZINC000473104230 562898141 /nfs/dbraw/zinc/89/81/41/562898141.db2.gz OVVRQDCJYWDMFV-KMRXNPHXSA-N 1 0 572.618 6.726 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473112294 562898648 /nfs/dbraw/zinc/89/86/48/562898648.db2.gz DJLLGHHQTWRGFO-UHFFFAOYSA-N 1 0 533.621 5.785 1 0 KKAFRO COc1cc2oc(-c3ccc(OCCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114035 562898885 /nfs/dbraw/zinc/89/88/85/562898885.db2.gz LNASBBXMSDPABY-UHFFFAOYSA-N 1 0 558.675 5.463 1 0 KKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C[n+]5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000473114972 562899000 /nfs/dbraw/zinc/89/90/00/562899000.db2.gz PYHRGCLOPLNRQN-YXKGFGPJSA-N 1 0 553.808 5.680 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473116237 562899116 /nfs/dbraw/zinc/89/91/16/562899116.db2.gz VVXREPJRHYMKAQ-UHFFFAOYSA-N 1 0 519.594 5.395 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136165 562900932 /nfs/dbraw/zinc/90/09/32/562900932.db2.gz NMZKUZFCZYLPLW-IWYKLHMASA-N 1 0 571.146 7.433 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136168 562900968 /nfs/dbraw/zinc/90/09/68/562900968.db2.gz NMZKUZFCZYLPLW-WXDXAWNOSA-N 1 0 571.146 7.433 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(-c3ccccc3)nn2)C(C)C)C(C)C)ccc1OC ZINC000473145030 562901298 /nfs/dbraw/zinc/90/12/98/562901298.db2.gz BDFZORYQMUVQDY-SUGCFTRWSA-N 1 0 665.920 5.767 1 0 KKAFRO CC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc43)ccc21 ZINC000473152679 562901841 /nfs/dbraw/zinc/90/18/41/562901841.db2.gz VDUSIGSQGZWLMD-IOWSJCHKSA-N 1 0 521.661 5.237 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152735 562901875 /nfs/dbraw/zinc/90/18/75/562901875.db2.gz VVKDAPKAJJSSNM-UUWRZZSWSA-N 1 0 559.751 6.047 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902533 /nfs/dbraw/zinc/90/25/33/562902533.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 1 0 577.169 5.891 1 0 KKAFRO Cc1cccc([C@@H]2C[C@H](c3ccccc3)CCN2C(=O)[C@H]2C[NH2+]C[C@@]23CCCc2nc(Cl)ccc23)c1 ZINC000473182564 562903495 /nfs/dbraw/zinc/90/34/95/562903495.db2.gz SHGDACKXZZBVAK-UJPGADQDSA-N 1 0 500.086 5.984 1 0 KKAFRO CC(=O)c1c[nH+]c2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC000473183042 562903563 /nfs/dbraw/zinc/90/35/63/562903563.db2.gz KJDUYBFBDHLXHW-JBACZVJFSA-N 1 0 541.523 5.851 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200839 562903813 /nfs/dbraw/zinc/90/38/13/562903813.db2.gz FFUJBEXHRRHCRE-CYWCHRQTSA-N 1 0 508.062 5.816 1 0 KKAFRO Cc1oncc1CN(C(=O)CC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C1CCCCC1 ZINC000473233237 562904452 /nfs/dbraw/zinc/90/44/52/562904452.db2.gz QCHQOBGIUWWBLB-MGBGTMOVSA-N 1 0 583.777 8.028 1 0 KKAFRO O=C([O-])C[N@@H+]1CCCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236419 562904667 /nfs/dbraw/zinc/90/46/67/562904667.db2.gz DSWUBPMMBDNJSP-WCSHMYRTSA-N 1 0 532.773 6.435 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1C ZINC000653670281 562906115 /nfs/dbraw/zinc/90/61/15/562906115.db2.gz MBTNDZBOKLUSBW-DIBXZPPDSA-N 1 0 533.676 5.925 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(OC)cc4C)cc32)c1C ZINC000653678278 562906255 /nfs/dbraw/zinc/90/62/55/562906255.db2.gz SFGIMNAOZTXXQC-UQQQWYQISA-N 1 0 500.643 5.180 1 0 KKAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000653686911 562906499 /nfs/dbraw/zinc/90/64/99/562906499.db2.gz JICNGABIBGCQGR-UHFFFAOYSA-N 1 0 511.626 5.807 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(O)cc5)n4)cc32)c1C ZINC000653686459 562906503 /nfs/dbraw/zinc/90/65/03/562906503.db2.gz QNCZGYGKSIDZND-JLPGSUDCSA-N 1 0 555.704 5.692 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2C[C@@H]1C[NH+](C)C ZINC000653700757 562907365 /nfs/dbraw/zinc/90/73/65/562907365.db2.gz XMYRHJRDKOQLMO-RVBRUHEGSA-N 1 0 517.467 5.760 1 0 KKAFRO Cn1ncc(Br)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)n(C)c1Br ZINC000653912909 562917765 /nfs/dbraw/zinc/91/77/65/562917765.db2.gz UFSICZWWYHSVTR-UHFFFAOYSA-N 1 0 590.147 5.266 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706795 562907890 /nfs/dbraw/zinc/90/78/90/562907890.db2.gz UYBBVPGPTNYATH-SSEXGKCCSA-N 1 0 591.200 5.502 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3cccc(C)c3F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653709044 562908020 /nfs/dbraw/zinc/90/80/20/562908020.db2.gz OXKCCACNLSUENY-SSEXGKCCSA-N 1 0 588.772 5.296 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@H]([NH3+])C2(C)C ZINC000653728725 562909334 /nfs/dbraw/zinc/90/93/34/562909334.db2.gz WMLFTPJTSQTLNL-QHCPKHFHSA-N 1 0 530.094 5.359 1 0 KKAFRO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(c4nc5cc(F)ccc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653738970 562909997 /nfs/dbraw/zinc/90/99/97/562909997.db2.gz DSQXYDMVGJDQRY-UHFFFAOYSA-N 1 0 623.732 8.393 1 0 KKAFRO COc1cccc(-c2c3nc(-c4ccncc4)nc(NC[C@@H]([NH3+])Cc4ccccc4)c3sc2C(C)(C)C)c1 ZINC000653747992 562910528 /nfs/dbraw/zinc/91/05/28/562910528.db2.gz QPCOMCGDLNLLAZ-QHCPKHFHSA-N 1 0 523.706 6.708 1 0 KKAFRO COc1cccc(OC(C)C)c1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000653747949 562910529 /nfs/dbraw/zinc/91/05/29/562910529.db2.gz JIUXSRLVIPBLRJ-QHCPKHFHSA-N 1 0 539.705 5.928 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653748862 562910561 /nfs/dbraw/zinc/91/05/61/562910561.db2.gz ZJLOUQPMUBFJJT-UHFFFAOYSA-N 1 0 537.653 5.178 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4cccc(C)c4)cc32)c1C ZINC000653760516 562911265 /nfs/dbraw/zinc/91/12/65/562911265.db2.gz RABIETKMZPTGCJ-XHPQRKPJSA-N 1 0 536.680 5.357 1 0 KKAFRO CCN(CC)C(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768958 562911733 /nfs/dbraw/zinc/91/17/33/562911733.db2.gz JLMVLYYCQLMTCP-IZLXSDGUSA-N 1 0 603.881 5.295 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769225 562911799 /nfs/dbraw/zinc/91/17/99/562911799.db2.gz MTLYSRUJNCWFOX-UHFFFAOYSA-N 1 0 543.067 6.350 1 0 KKAFRO CCn1c(C(=O)NCCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000653781550 562912147 /nfs/dbraw/zinc/91/21/47/562912147.db2.gz DCTNQPAGKVHFJZ-UHFFFAOYSA-N 1 0 525.778 6.378 1 0 KKAFRO CCCNC(=O)C1CCN(C(=O)c2c(C[NH2+][C@@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786100 562912437 /nfs/dbraw/zinc/91/24/37/562912437.db2.gz SHJNFTLAWBDTQH-QHCPKHFHSA-N 1 0 572.775 5.989 1 0 KKAFRO C[C@@]12CCN(C(=O)C[n+]3cn(Cc4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793905 562912834 /nfs/dbraw/zinc/91/28/34/562912834.db2.gz KMNYKNGRLZKIHW-NOCHOARKSA-N 1 0 592.561 6.276 1 0 KKAFRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000653795647 562913074 /nfs/dbraw/zinc/91/30/74/562913074.db2.gz NHSBSYVZYBPKGI-UHFFFAOYSA-N 1 0 506.532 6.632 1 0 KKAFRO Cc1ccc(-c2nnc(-c3ccc(CN4CC[NH+](C)CC4)cc3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653806056 562913672 /nfs/dbraw/zinc/91/36/72/562913672.db2.gz KDZFJOUWSWBVDR-UHFFFAOYSA-N 1 0 518.625 5.055 1 0 KKAFRO CN1CC[NH+](Cc2cccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)c2)CC1 ZINC000653852942 562915615 /nfs/dbraw/zinc/91/56/15/562915615.db2.gz QRIXAJZFVNJQLI-UHFFFAOYSA-N 1 0 510.682 5.455 1 0 KKAFRO C[NH+](C)CCCN1c2ccccc2CCc2ccc(CCCOCCOc3cccc4ccccc43)cc21 ZINC000653853328 562915669 /nfs/dbraw/zinc/91/56/69/562915669.db2.gz QASWBJXKHDJLQH-UHFFFAOYSA-N 1 0 508.706 7.056 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 ZINC000653857911 562915815 /nfs/dbraw/zinc/91/58/15/562915815.db2.gz ADFNBVCUNARPQJ-UHFFFAOYSA-N 1 0 549.050 6.352 1 0 KKAFRO Fc1ccc(-c2cn([C@@H](C[NH+]3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874619 562916575 /nfs/dbraw/zinc/91/65/75/562916575.db2.gz PACAPUHORPYHJT-DEOSSOPVSA-N 1 0 509.075 6.744 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653875509 562916621 /nfs/dbraw/zinc/91/66/21/562916621.db2.gz BZDICMOFJNLEFS-UHFFFAOYSA-N 1 0 526.471 5.915 1 0 KKAFRO O=C(NCCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917624 /nfs/dbraw/zinc/91/76/24/562917624.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 1 0 519.652 5.770 1 0 KKAFRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(N)ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000653912117 562917708 /nfs/dbraw/zinc/91/77/08/562917708.db2.gz FADYVQNQTPRSDW-UHFFFAOYSA-N 1 0 507.560 5.295 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653915949 562917849 /nfs/dbraw/zinc/91/78/49/562917849.db2.gz FACHTCSYYAXJQX-UHFFFAOYSA-N 1 0 611.678 5.024 1 0 KKAFRO CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)Cc1ccccc1 ZINC000085571438 565145954 /nfs/dbraw/zinc/14/59/54/565145954.db2.gz JQTIGTIYWAQDFR-AXJATLOPSA-N 1 0 631.813 7.809 1 0 biogenic,in-vitro KKAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592906 565148952 /nfs/dbraw/zinc/14/89/52/565148952.db2.gz KKKHJCLOUWJPHK-XINJQZJUSA-N 1 0 633.782 5.612 1 0 biogenic,in-vitro KKAFRO CC[C@@H](O)[NH2+]CC1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595763 565154094 /nfs/dbraw/zinc/15/40/94/565154094.db2.gz YGUDNCVQEYLALF-BWFFVIMGSA-N 1 0 609.760 5.634 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@H](C2)[N@H+](C)CC3)OCO4 ZINC000085976800 565171061 /nfs/dbraw/zinc/17/10/61/565171061.db2.gz OSOKLEWJPLGVBW-NDEPHWFRSA-N 1 0 648.712 7.258 1 0 biogenic,in-vitro KKAFRO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C ZINC000095098971 565172144 /nfs/dbraw/zinc/17/21/44/565172144.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 1 0 668.787 6.457 1 0 biogenic,in-vitro KKAFRO COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](C[N@@H+]1C)C3)[C@H](Cc1ccccc1O)[NH+](C)CC2 ZINC000095485886 565173602 /nfs/dbraw/zinc/17/36/02/565173602.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 1 0 650.816 6.472 1 0 biogenic,in-vitro KKAFRO O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1CCCCc1cccc(O)c1 ZINC000103531482 565194210 /nfs/dbraw/zinc/19/42/10/565194210.db2.gz YGMPWWYVVYLSOO-UOSBZTQKSA-N 1 0 633.789 7.430 1 0 biogenic,in-vitro KKAFRO CCC1C=C(c2cccc(CCc3c(OCCCO)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000150350030 565202477 /nfs/dbraw/zinc/20/24/77/565202477.db2.gz NDDILHVUQJNYOA-UHFFFAOYSA-N 1 0 696.821 5.235 1 0 biogenic,in-vitro KKAFRO CCC[NH2+][C@H]1CCCc2c(O)c(OC)cc3c2C1=C[C@@H]1CCCC[C@H]1[C@H]3CC(=O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085595766 291937592 /nfs/dbraw/zinc/93/75/92/291937592.db2.gz QUXFVAHCOLKOKY-XEGWVDMESA-N 1 0 633.826 7.020 1 0 biogenic,in-vitro KKAFRO C[NH2+]CO[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592803 291952710 /nfs/dbraw/zinc/95/27/10/291952710.db2.gz JYEHXVFNOXVZAF-XVIZVUCFSA-N 1 0 791.938 8.325 1 0 biogenic,in-vitro KKAFRO C[NH2+]C[C@@]1(CCC/C=C\CCC2CCCCC2)C=C[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)[O-])[C@H](C)O)[C@H]1CC[NH3+] ZINC000085505604 291953509 /nfs/dbraw/zinc/95/35/09/291953509.db2.gz JSBPLZAUUWTYEQ-KHQZIBQJSA-N 1 0 538.817 6.371 1 0 biogenic,in-vitro KKAFRO COc1c(OCCc2ccccc2)c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000150350019 291966800 /nfs/dbraw/zinc/96/68/00/291966800.db2.gz KFZWNHGUAROMJS-UHFFFAOYSA-N 1 0 796.985 8.364 1 0 biogenic,in-vitro KKAFRO COc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000001546523 561677298 /nfs/dbraw/zinc/67/72/98/561677298.db2.gz HDWTUYRDCPHOSH-QHCPKHFHSA-N 1 0 518.466 5.839 1 0 KKAFRO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCC[NH+]4CCCCC4)cc3)nc21 ZINC000003815491 561682918 /nfs/dbraw/zinc/68/29/18/561682918.db2.gz WQDGYGJFEUAXKW-UHFFFAOYSA-N 1 0 524.452 5.911 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@H+](C)Cc2ccccc2)C1 ZINC000003915807 561684733 /nfs/dbraw/zinc/68/47/33/561684733.db2.gz UVOURRFWHVVQKI-QNGWXLTQSA-N 1 0 668.927 7.324 1 0 KKAFRO CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21 ZINC000003918823 561685434 /nfs/dbraw/zinc/68/54/34/561685434.db2.gz OEKMGABCSLYWOP-PGUFJCEWSA-N 1 0 625.806 8.519 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003921942 561685783 /nfs/dbraw/zinc/68/57/83/561685783.db2.gz KJQHHFWZKACGAF-OZNIXHKMSA-N 1 0 533.556 7.730 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000003921853 561685796 /nfs/dbraw/zinc/68/57/96/561685796.db2.gz XIMQRVAHXBOEOW-MFMCTBQISA-N 1 0 517.714 5.542 1 0 KKAFRO COc1cc(NC(=O)Nc2cccc(Nc3ccccc3)c2)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000003961880 561691178 /nfs/dbraw/zinc/69/11/78/561691178.db2.gz NTZAIBPEXMVHAW-UHFFFAOYSA-N 1 0 501.631 5.689 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1 ZINC000003964110 561691315 /nfs/dbraw/zinc/69/13/15/561691315.db2.gz RJEFBVHGZPUKAJ-OZXSUGGESA-N 1 0 627.649 5.330 1 0 KKAFRO C[NH+](C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000003965926 561691566 /nfs/dbraw/zinc/69/15/66/561691566.db2.gz VTTUVOLMPNOBRT-KDXMTYKHSA-N 1 0 612.774 6.583 1 0 KKAFRO C[NH+](C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000003966475 561691673 /nfs/dbraw/zinc/69/16/73/561691673.db2.gz OHDQHRAKDCCIMS-HXUWFJFHSA-N 1 0 568.438 5.765 1 0 KKAFRO CC[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1 ZINC000003979643 561692410 /nfs/dbraw/zinc/69/24/10/561692410.db2.gz GWRAMEHAFVFMCA-HHHXNRCGSA-N 1 0 596.509 6.356 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000003994922 561693765 /nfs/dbraw/zinc/69/37/65/561693765.db2.gz MUQJKGMXKAWCJF-WJOKGBTCSA-N 1 0 593.599 5.890 1 0 KKAFRO COc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000004425222 561694996 /nfs/dbraw/zinc/69/49/96/561694996.db2.gz HDWTUYRDCPHOSH-HSZRJFAPSA-N 1 0 518.466 5.839 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000006511250 561702788 /nfs/dbraw/zinc/70/27/88/561702788.db2.gz CZYZPYHWBJNCKH-MUUNZHRXSA-N 1 0 520.743 6.108 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000006716246 561702964 /nfs/dbraw/zinc/70/29/64/561702964.db2.gz WTGSHWLSWVFVAH-JTTXIWGLSA-N 1 0 521.723 5.062 1 0 KKAFRO O=C(NCCC[N+]1=CC=N[C@@H]1c1ccccc1)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000008582436 561705692 /nfs/dbraw/zinc/70/56/92/561705692.db2.gz VQYFGCRKLOVLMQ-SANMLTNESA-O 1 0 517.451 5.230 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585158 561705817 /nfs/dbraw/zinc/70/58/17/561705817.db2.gz GERZIBJSNHFDPD-NNLMEJECSA-N 1 0 611.185 8.877 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585224 561705852 /nfs/dbraw/zinc/70/58/52/561705852.db2.gz FPLVWQKJWBMJCK-SPOSYKFASA-N 1 0 541.135 7.590 3 0 KKAFRO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008596584 561706047 /nfs/dbraw/zinc/70/60/47/561706047.db2.gz PUSYAMFIXJNMBE-UHFFFAOYSA-N 1 0 635.253 6.199 1 0 KKAFRO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008596535 561706056 /nfs/dbraw/zinc/70/60/56/561706056.db2.gz BULBENCNASTUFQ-UHFFFAOYSA-N 1 0 606.211 6.591 1 0 KKAFRO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008597300 561706227 /nfs/dbraw/zinc/70/62/27/561706227.db2.gz FCNDFKHBBHDXAF-UHFFFAOYSA-N 1 0 600.808 5.546 1 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000008860375 561708661 /nfs/dbraw/zinc/70/86/61/561708661.db2.gz KKIRKDBZBVQYSD-QJOHXIFOSA-N 1 0 575.752 8.829 3 0 KKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 ZINC000013440413 561712505 /nfs/dbraw/zinc/71/25/05/561712505.db2.gz VBMSDUOLUJFYDQ-UHFFFAOYSA-N 1 0 504.715 7.039 1 0 KKAFRO c1ccc(C(OCCC2CC[NH+](Cc3ccc(-c4cccc5ccccc54)cc3)CC2)c2ccccc2)cc1 ZINC000013472261 561714195 /nfs/dbraw/zinc/71/41/95/561714195.db2.gz GRVRNLKREJUWJW-UHFFFAOYSA-N 1 0 511.709 8.915 1 0 KKAFRO COc1ccc(CN2CN(c3ccccc3)C3(CC[NH+](CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000013448549 561713361 /nfs/dbraw/zinc/71/33/61/561713361.db2.gz ARMCHIDXFRTTKY-UHFFFAOYSA-N 1 0 515.629 5.138 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000013479361 561715022 /nfs/dbraw/zinc/71/50/22/561715022.db2.gz BVIVJZQNXCSKJB-AREMUKBSSA-N 1 0 530.656 6.379 1 0 KKAFRO CC(c1ccc([S@@](=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000013492460 561716260 /nfs/dbraw/zinc/71/62/60/561716260.db2.gz BERXHPPZKOVMEH-KXQOOQHDSA-N 1 0 532.725 6.669 1 0 KKAFRO Cc1c(-c2cccc(C(C)C)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559584 561719452 /nfs/dbraw/zinc/71/94/52/561719452.db2.gz QJZBHXNXKAYBKF-UHFFFAOYSA-N 1 0 532.635 5.005 1 0 KKAFRO CCC[N@@H+](Cc1sc(N(CC)c2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587346 561720642 /nfs/dbraw/zinc/72/06/42/561720642.db2.gz JOIHMLYSQJHWLB-UHFFFAOYSA-N 1 0 518.487 7.828 1 0 KKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12 ZINC000013587836 561720918 /nfs/dbraw/zinc/72/09/18/561720918.db2.gz SACRSUCIYWDREQ-AREMUKBSSA-N 1 0 500.393 5.235 1 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCCCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013660993 561723380 /nfs/dbraw/zinc/72/33/80/561723380.db2.gz VTBZFOHHWKFOOG-HSZRJFAPSA-N 1 0 527.617 6.214 3 0 KKAFRO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013661704 561723595 /nfs/dbraw/zinc/72/35/95/561723595.db2.gz VBTKCUFWEXQSPZ-AREMUKBSSA-N 1 0 509.513 6.060 3 0 KKAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(C[NH+](CC)CC)cc2)[C@H]1O ZINC000013673022 561723746 /nfs/dbraw/zinc/72/37/46/561723746.db2.gz KQBOBSOAALSFNB-LOYHVIPDSA-N 1 0 528.803 6.241 1 0 KKAFRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC000013671983 561723805 /nfs/dbraw/zinc/72/38/05/561723805.db2.gz WTECJAHWHNJGGJ-IBGZPJMESA-N 1 0 502.537 5.356 1 0 KKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675646 561724032 /nfs/dbraw/zinc/72/40/32/561724032.db2.gz FHBDDQZHQPRYJX-UHFFFAOYSA-N 1 0 517.117 7.360 1 0 KKAFRO COc1ccc(C(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccc(OC)c3ccccc32)c2ccccc12 ZINC000013734013 561725603 /nfs/dbraw/zinc/72/56/03/561725603.db2.gz WJSFCSSZMOGVJK-DNQXCXABSA-N 1 0 524.705 6.911 1 0 KKAFRO Cc1cc2c(cc1C)c(-c1ccccc1)c(C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n(C)c2=O ZINC000013742635 561726331 /nfs/dbraw/zinc/72/63/31/561726331.db2.gz XTYCUJXOJHSJKH-UHFFFAOYSA-N 1 0 518.501 7.150 1 0 KKAFRO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013782637 561729905 /nfs/dbraw/zinc/72/99/05/561729905.db2.gz BMFXKJVYUBXLFG-UHFFFAOYSA-N 1 0 512.053 5.484 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819429 561732516 /nfs/dbraw/zinc/73/25/16/561732516.db2.gz SUKMVMFONPSNRM-DCMFLLSESA-N 1 0 502.743 6.470 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@H](c2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000013824897 561732754 /nfs/dbraw/zinc/73/27/54/561732754.db2.gz NMHBRYQBDQAZRP-SSEXGKCCSA-N 1 0 511.584 6.628 1 0 KKAFRO Cc1cc2c(sc(-c3ccc(O)cc3)c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)c(C)c1O ZINC000013834298 561734099 /nfs/dbraw/zinc/73/40/99/561734099.db2.gz OGPYVSISEZHRFQ-UHFFFAOYSA-N 1 0 501.648 6.692 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[N@@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860004 561734469 /nfs/dbraw/zinc/73/44/69/561734469.db2.gz RHNOFZVTGNOXAN-ZVGZTULCSA-N 1 0 527.668 7.009 1 0 KKAFRO Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)[N@@H+]4Cc4ccccc43)c(Cl)c2)c1 ZINC000013860005 561734521 /nfs/dbraw/zinc/73/45/21/561734521.db2.gz ZTTPWJKHMBAEQQ-LCRYKWFRSA-N 1 0 518.032 6.443 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013907444 561735587 /nfs/dbraw/zinc/73/55/87/561735587.db2.gz PAJATZREFKABGD-DEOSSOPVSA-N 1 0 523.504 6.761 1 0 KKAFRO COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000013919288 561735765 /nfs/dbraw/zinc/73/57/65/561735765.db2.gz FXARYXHRHHHECJ-MHZLTWQESA-N 1 0 525.690 5.557 1 0 KKAFRO Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000014139885 561736949 /nfs/dbraw/zinc/73/69/49/561736949.db2.gz MUQJKGMXKAWCJF-HKBQPEDESA-N 1 0 593.599 5.890 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013777688 561728638 /nfs/dbraw/zinc/72/86/38/561728638.db2.gz CIJBLVOZDMZNJK-XJEPXIRSSA-N 1 0 517.629 5.481 1 0 KKAFRO C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(N(Cc3ccccc3)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000014945879 561743361 /nfs/dbraw/zinc/74/33/61/561743361.db2.gz QTWWPQCPRVZKCB-HSZRJFAPSA-N 1 0 538.479 6.167 1 0 KKAFRO COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)c2c1 ZINC000014946304 561743453 /nfs/dbraw/zinc/74/34/53/561743453.db2.gz HSPZASVVTPKCGM-UHFFFAOYSA-N 1 0 567.561 7.632 1 0 KKAFRO CC(C)[NH+]1CCC(NC(=O)c2c(-c3ccccc3)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949887 561745291 /nfs/dbraw/zinc/74/52/91/561745291.db2.gz NBRCEBZBAGMRKS-UHFFFAOYSA-N 1 0 559.135 7.329 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1 ZINC000014950402 561745440 /nfs/dbraw/zinc/74/54/40/561745440.db2.gz DXMUOXUECGPKKS-UHFFFAOYSA-N 1 0 564.543 5.685 1 0 KKAFRO C[NH2+]Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950428 561745592 /nfs/dbraw/zinc/74/55/92/561745592.db2.gz XTYJPQDODCELTO-UHFFFAOYSA-N 1 0 532.526 5.204 1 0 KKAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(Cl)c(Cl)cc43)cc2F)c1 ZINC000014950682 561745750 /nfs/dbraw/zinc/74/57/50/561745750.db2.gz OWWJAGHMUKHZEI-UHFFFAOYSA-N 1 0 576.341 6.212 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](CC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)Cc3ccccc3)c2c1 ZINC000014950850 561745754 /nfs/dbraw/zinc/74/57/54/561745754.db2.gz GIJAFZZBRFHAFR-HSZRJFAPSA-N 1 0 512.617 6.146 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950740 561745777 /nfs/dbraw/zinc/74/57/77/561745777.db2.gz OREKERSNHHDONJ-QHCPKHFHSA-N 1 0 516.580 5.895 1 0 KKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3cccc4ccccc43)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950915 561745918 /nfs/dbraw/zinc/74/59/18/561745918.db2.gz VPPDBPSKDXBZTP-LJAQVGFWSA-N 1 0 565.702 7.642 1 0 KKAFRO CC(C)(C)C1CCC(Nc2nc(Cl)c(-c3ccccc3)n(CC(=O)NCc3ccc(C(N)=[NH2+])cc3)c2=O)CC1 ZINC000014955943 561747486 /nfs/dbraw/zinc/74/74/86/561747486.db2.gz DVYIULBOKDTDLP-UHFFFAOYSA-N 1 0 549.119 5.181 1 0 KKAFRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014958012 561748039 /nfs/dbraw/zinc/74/80/39/561748039.db2.gz ZUHYQEOCWOQRFV-UHFFFAOYSA-N 1 0 526.648 6.091 1 0 KKAFRO c1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014958008 561748075 /nfs/dbraw/zinc/74/80/75/561748075.db2.gz BUDCDMBOPKDELH-UHFFFAOYSA-N 1 0 512.621 5.783 1 0 KKAFRO CCC(CC)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959624 561748218 /nfs/dbraw/zinc/74/82/18/561748218.db2.gz NMVYRPFVNMJQPF-UHFFFAOYSA-N 1 0 511.091 6.442 1 0 KKAFRO CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 ZINC000014960866 561748445 /nfs/dbraw/zinc/74/84/45/561748445.db2.gz UIOVGRXEBWMUQT-LJAQVGFWSA-N 1 0 542.705 5.270 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CC2CC2)c1 ZINC000014961942 561748552 /nfs/dbraw/zinc/74/85/52/561748552.db2.gz HLEGKFDICBONCR-ZGEQKSCTSA-N 1 0 603.763 5.749 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCC[NH+](C)C)c1Cl ZINC000014963082 561748794 /nfs/dbraw/zinc/74/87/94/561748794.db2.gz GDSMPWPQGWPJIP-UHFFFAOYSA-N 1 0 584.957 6.000 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC[NH+]=C2SC)c1Cl ZINC000014963175 561748992 /nfs/dbraw/zinc/74/89/92/561748992.db2.gz QPSUSLWQDBYHKB-UHFFFAOYSA-N 1 0 584.938 6.151 1 0 KKAFRO CN(CCC[NH+](C)C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963738 561749168 /nfs/dbraw/zinc/74/91/68/561749168.db2.gz FWUDCJIXDFNQNS-UHFFFAOYSA-N 1 0 553.943 6.596 1 0 KKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(OCc2ccncc2)c1)C(C)C ZINC000014967488 561750062 /nfs/dbraw/zinc/75/00/62/561750062.db2.gz LHSZSZARRCCSIZ-FWDBPZADSA-N 1 0 525.778 5.794 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000014970513 561750953 /nfs/dbraw/zinc/75/09/53/561750953.db2.gz FABXLMBOGKCWFI-OOOSNSGVSA-N 1 0 601.755 5.482 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000014970442 561750962 /nfs/dbraw/zinc/75/09/62/561750962.db2.gz DSKXYHYADVMGDR-ROJLCIKYSA-N 1 0 587.728 5.235 1 0 KKAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000014970539 561751097 /nfs/dbraw/zinc/75/10/97/561751097.db2.gz ZYAIAJWIMAJKGE-IOWSJCHKSA-N 1 0 562.718 5.144 1 0 KKAFRO NC(=O)Cc1cccc(OCCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1 ZINC000014972997 561751651 /nfs/dbraw/zinc/75/16/51/561751651.db2.gz PVSVRPXIFWFGJY-UHFFFAOYSA-N 1 0 546.633 6.836 1 0 KKAFRO c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545653 561755852 /nfs/dbraw/zinc/75/58/52/561755852.db2.gz HBTGLPUBYGXXKT-WYNQQYPZSA-N 1 0 517.716 9.042 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545731 561755999 /nfs/dbraw/zinc/75/59/99/561755999.db2.gz KOKPKPUDWNASTD-HKBQPEDESA-N 1 0 603.763 6.887 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545767 561756008 /nfs/dbraw/zinc/75/60/08/561756008.db2.gz TYXRLGQICZVXEA-NSOVKSMOSA-N 1 0 558.719 6.227 3 0 KKAFRO COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545812 561756031 /nfs/dbraw/zinc/75/60/31/561756031.db2.gz SCRRLRZNYGLGNP-JHOUSYSJSA-N 1 0 635.805 6.564 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(C)c12 ZINC000017545827 561756161 /nfs/dbraw/zinc/75/61/61/561756161.db2.gz RUGOEWKUIVRDKO-DEOSSOPVSA-N 1 0 542.632 5.192 3 0 KKAFRO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000017577516 561756671 /nfs/dbraw/zinc/75/66/71/561756671.db2.gz KJOIRNUOPVSAQC-WYNQQYPZSA-N 1 0 585.713 10.061 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577508 561756718 /nfs/dbraw/zinc/75/67/18/561756718.db2.gz XTCDAIJNJCCXIT-JENGUWKOSA-N 1 0 545.048 8.443 3 0 KKAFRO CC[NH+](CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655214 561757908 /nfs/dbraw/zinc/75/79/08/561757908.db2.gz AFCAOYKFIBILFN-FTJBHMTQSA-N 1 0 606.760 6.100 1 0 KKAFRO COc1ccc2c(c1)CCC(C[NH+]1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=C2 ZINC000019360481 561758346 /nfs/dbraw/zinc/75/83/46/561758346.db2.gz JIIRENXDZVBJNH-UHFFFAOYSA-N 1 0 504.621 5.727 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449793 561759234 /nfs/dbraw/zinc/75/92/34/561759234.db2.gz JGAMGZZJGJQWBX-SVBPBHIXSA-N 1 0 553.747 5.995 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC[NH+]1CCN(C)CC1 ZINC000022452176 561759487 /nfs/dbraw/zinc/75/94/87/561759487.db2.gz NICLGLCYSXNRKC-UHFFFAOYSA-N 1 0 509.698 6.096 1 0 KKAFRO COc1ccc(-c2cc(CCCCN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1 ZINC000022924677 561759509 /nfs/dbraw/zinc/75/95/09/561759509.db2.gz DSIODFVVJVFOFI-UHFFFAOYSA-N 1 0 511.666 6.089 1 0 KKAFRO Cc1nc(C)c(C(=O)N2CCC(C)([N@@H+]3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927072 561759926 /nfs/dbraw/zinc/75/99/26/561759926.db2.gz UMOFYSFQZJYWNT-RXVVDRJESA-N 1 0 517.640 5.183 1 0 KKAFRO COc1ccccc1[C@H](CNC(=O)Cc1ccccc1C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000022940860 561761036 /nfs/dbraw/zinc/76/10/36/561761036.db2.gz AKHKAZRGQQPVBT-VWLOTQADSA-N 1 0 503.609 5.064 1 0 KKAFRO CN1CC[NH+](Cc2ccccc2-c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc6onc(N)c6c5)c4C3=O)cc2)CC1 ZINC000023358138 561761983 /nfs/dbraw/zinc/76/19/83/561761983.db2.gz ASRYKRVWPDUVJA-UHFFFAOYSA-N 1 0 601.633 5.232 1 0 KKAFRO CN(CC[NH+](C)C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359301 561762176 /nfs/dbraw/zinc/76/21/76/561762176.db2.gz QDKKSLVXVLBPRN-UHFFFAOYSA-N 1 0 539.916 6.206 1 0 KKAFRO C[NH+]1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc65)cc(Cl)c4o3)ccc2Cl)CC1 ZINC000023359498 561762206 /nfs/dbraw/zinc/76/22/06/561762206.db2.gz JPWMAVZTWDLRIZ-UHFFFAOYSA-N 1 0 534.447 6.966 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025964366 561763024 /nfs/dbraw/zinc/76/30/24/561763024.db2.gz ALVRWLFAONYUAV-KTMFPKCZSA-N 1 0 565.539 8.305 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025965930 561763201 /nfs/dbraw/zinc/76/32/01/561763201.db2.gz VGVQYQRJRNGUNU-MVJHLKBCSA-N 1 0 579.566 8.695 1 0 KKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(Br)cccc2C1 ZINC000026153646 561767943 /nfs/dbraw/zinc/76/79/43/561767943.db2.gz HBJXUXOERUVVGH-MHZLTWQESA-N 1 0 519.527 6.896 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007824 561765756 /nfs/dbraw/zinc/76/57/56/561765756.db2.gz SFPOPEFEUFHEAX-UHFFFAOYSA-N 1 0 661.165 7.385 1 0 KKAFRO CCc1cn(CC(=O)N(CC[NH+](CC)CC)Cc2ccc(-c3ccc(Cl)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O ZINC000026012403 561765935 /nfs/dbraw/zinc/76/59/35/561765935.db2.gz DDUPDZLICFQTTM-UHFFFAOYSA-N 1 0 621.222 6.928 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1cccc(OCc2ccccc2)c1)NC(=O)OC(C)(C)C ZINC000026163545 561768789 /nfs/dbraw/zinc/76/87/89/561768789.db2.gz DSQIWNUFPPHLBD-UYEZAFAQSA-N 1 0 649.829 5.149 1 0 KKAFRO COc1ccc(C[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168224 561769560 /nfs/dbraw/zinc/76/95/60/561769560.db2.gz JLQYRBBOFMIMNP-QPPBQGQZSA-N 1 0 504.652 5.097 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026247808 561773580 /nfs/dbraw/zinc/77/35/80/561773580.db2.gz HTWLSEXOVXEWKJ-UHFFFAOYSA-N 1 0 525.693 5.045 1 0 KKAFRO O=C(NC1CCCCC1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026255465 561774846 /nfs/dbraw/zinc/77/48/46/561774846.db2.gz NYRBPTLMCMDJDX-CZFRINIUSA-N 1 0 504.718 7.421 1 0 KKAFRO COc1ccc([C@H](CCCCC[N@@H+]2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259137 561775256 /nfs/dbraw/zinc/77/52/56/561775256.db2.gz ZIDJRRPIOJNLKD-HKBQPEDESA-N 1 0 519.707 7.193 1 0 KKAFRO CC(C)[NH+](CC[C@@](CC(=O)N(C1CCCCC1)C1CCCCC1)(C(=O)N(C)C)c1ccccc1)C(C)C ZINC000026261887 561775574 /nfs/dbraw/zinc/77/55/74/561775574.db2.gz SUHNYGNELUQOMH-YTTGMZPUSA-N 1 0 511.795 6.406 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270507 561777166 /nfs/dbraw/zinc/77/71/66/561777166.db2.gz JAPKDYAEBPSGFI-HKBQPEDESA-N 1 0 519.707 7.193 1 0 KKAFRO COc1ccc([C@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271229 561777279 /nfs/dbraw/zinc/77/72/79/561777279.db2.gz KLIWAWKHWKQIAF-YTTGMZPUSA-N 1 0 579.803 7.880 1 0 KKAFRO COc1ccc([C@H](CCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271339 561777336 /nfs/dbraw/zinc/77/73/36/561777336.db2.gz HCJPKEPIBGVGBG-YTTGMZPUSA-N 1 0 535.750 7.482 1 0 KKAFRO COc1cc(OC2CC[NH+]([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026282631 561779216 /nfs/dbraw/zinc/77/92/16/561779216.db2.gz GRKWMUZMGMYCOJ-WJOKGBTCSA-N 1 0 612.727 5.011 1 0 KKAFRO CC[C@](CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283542 561779460 /nfs/dbraw/zinc/77/94/60/561779460.db2.gz FUXGUCORRPMWFN-UUWRZZSWSA-N 1 0 563.804 8.046 1 0 KKAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCc3ccc(O)cc3)cc2)C1=O ZINC000026379518 561783102 /nfs/dbraw/zinc/78/31/02/561783102.db2.gz UTIGKZYQGBWVFV-WJOKGBTCSA-N 1 0 590.724 5.081 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026498536 561794834 /nfs/dbraw/zinc/79/48/34/561794834.db2.gz SDFMZFWORWTSHN-RUZDIDTESA-N 1 0 531.549 6.667 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026388521 561785077 /nfs/dbraw/zinc/78/50/77/561785077.db2.gz GSOPXGLXCBBBCS-BFGHFXMOSA-N 1 0 610.651 6.060 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(O)c(OC)c4)n(Cc4ccc(O)c(OC)c4)c3c2)C1C(=O)OC ZINC000026392760 561786125 /nfs/dbraw/zinc/78/61/25/561786125.db2.gz FZKFZTFLKIJSSR-SFJQQJTMSA-N 1 0 599.640 5.601 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7cc(F)ccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026394338 561786559 /nfs/dbraw/zinc/78/65/59/561786559.db2.gz OIOVAOKOOPXOIV-UHFFFAOYSA-N 1 0 658.792 6.037 1 0 KKAFRO COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1NCc1ccccc1 ZINC000026398143 561787602 /nfs/dbraw/zinc/78/76/02/561787602.db2.gz OUYUVZWXCYSCSW-UHFFFAOYSA-N 1 0 548.687 6.553 1 0 KKAFRO Cc1cc(OCCCCCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026472788 561790702 /nfs/dbraw/zinc/79/07/02/561790702.db2.gz UKLCFUDFXSOVFG-UHFFFAOYSA-N 1 0 514.754 7.444 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480373 561791589 /nfs/dbraw/zinc/79/15/89/561791589.db2.gz CAVUSKSPYRUUNP-AMCZQQEXSA-N 1 0 635.522 5.179 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026480391 561791656 /nfs/dbraw/zinc/79/16/56/561791656.db2.gz CAVUSKSPYRUUNP-UMAOJYQFSA-N 1 0 635.522 5.179 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026484319 561792266 /nfs/dbraw/zinc/79/22/66/561792266.db2.gz ADAFXJAYMPTMDM-ZIQTWHDPSA-N 1 0 607.512 5.798 1 0 KKAFRO Cc1cc(OCCCCCCCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026486147 561792481 /nfs/dbraw/zinc/79/24/81/561792481.db2.gz SMIZOUGJMPTYEG-UHFFFAOYSA-N 1 0 542.808 8.224 1 0 KKAFRO COC(=O)N(CC1CCCCC1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026496312 561794476 /nfs/dbraw/zinc/79/44/76/561794476.db2.gz RNKVVXJENIMACX-MUUNZHRXSA-N 1 0 555.785 5.594 1 0 KKAFRO CCCCC[NH+]1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1 ZINC000026502432 561795784 /nfs/dbraw/zinc/79/57/84/561795784.db2.gz NMTNKAMKFPXCLP-UHFFFAOYSA-N 1 0 503.083 6.384 1 0 KKAFRO CCCN(C(=O)N[C@H](C)c1ccccc1)C1CC[NH+](CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026505349 561796430 /nfs/dbraw/zinc/79/64/30/561796430.db2.gz ULYSBKOLJAVXSU-MVSFAKPFSA-N 1 0 590.834 6.128 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026567722 561797306 /nfs/dbraw/zinc/79/73/06/561797306.db2.gz PINXYVGXMYFCOO-JGCGQSQUSA-N 1 0 641.596 5.107 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCC[NH+]1CCN(C)CC1 ZINC000026576334 561800082 /nfs/dbraw/zinc/80/00/82/561800082.db2.gz ZXBPJUYRBLIWDN-UHFFFAOYSA-N 1 0 565.806 7.657 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC5(CC4)OCCO5)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576697 561800486 /nfs/dbraw/zinc/80/04/86/561800486.db2.gz IYGYRWANFOTYSP-GDLZYMKVSA-N 1 0 622.854 7.206 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CC[C@@H]2CCC(=O)N(C)C2)c1 ZINC000026576716 561800494 /nfs/dbraw/zinc/80/04/94/561800494.db2.gz CXUFKVCNFOSZHM-NXLREQKESA-N 1 0 596.860 7.082 1 0 KKAFRO CCN(C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026578234 561802961 /nfs/dbraw/zinc/80/29/61/561802961.db2.gz QRKZYCYHPYJAHM-XMMPIXPASA-N 1 0 589.654 7.317 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 ZINC000026579099 561804159 /nfs/dbraw/zinc/80/41/59/561804159.db2.gz SZOUSEZBVHLILP-TXQSWDKBSA-N 1 0 592.614 5.338 1 0 KKAFRO O=C(OC[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000026579148 561804171 /nfs/dbraw/zinc/80/41/71/561804171.db2.gz BHTTVKSUOKJDOR-MBXDFBHOSA-N 1 0 542.528 6.479 1 0 KKAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CCCCN2C(=O)c3cccc4c(N(C)C)ccc(c43)C2=O)CC1 ZINC000026579699 561805080 /nfs/dbraw/zinc/80/50/80/561805080.db2.gz QTLDMCSKGVVWBL-UHFFFAOYSA-N 1 0 607.151 5.485 1 0 KKAFRO O=S(=O)(NC[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000026579972 561805387 /nfs/dbraw/zinc/80/53/87/561805387.db2.gz SOMRQTQRGWZJIT-JOCHJYFZSA-N 1 0 561.600 6.585 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026580206 561805605 /nfs/dbraw/zinc/80/56/05/561805605.db2.gz DKYFMNJPZUVNFV-HYAJJASKSA-N 1 0 555.571 6.394 1 0 KKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026660736 561810337 /nfs/dbraw/zinc/81/03/37/561810337.db2.gz ZJPBKRIGNVZFLN-HHHXNRCGSA-N 1 0 541.758 5.204 1 0 KKAFRO COc1cc2ccccc2c(C(=O)N(C)C[C@@H](CC[NH+]2CCC(c3ccccc3[S@@](C)=O)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000026664375 561810918 /nfs/dbraw/zinc/81/09/18/561810918.db2.gz QCACJCBWIPGWER-FVAKWTEMSA-N 1 0 637.673 8.018 1 0 KKAFRO COc1ccc(COc2ccc(-c3cc(/C=C4\C[NH+]5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026672111 561812671 /nfs/dbraw/zinc/81/26/71/561812671.db2.gz OXLWKCOVWCVMRM-WPWMEQJKSA-N 1 0 538.644 6.626 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH+]2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672434 561812697 /nfs/dbraw/zinc/81/26/97/561812697.db2.gz NYMHTAUWRGVXEZ-UHFFFAOYSA-N 1 0 508.066 5.013 1 0 KKAFRO COc1ccc([C@@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3ccccc3)C2)cc1OC ZINC000026672188 561812766 /nfs/dbraw/zinc/81/27/66/561812766.db2.gz IYGHJULMISLCJX-RWYGWLOXSA-N 1 0 674.817 7.010 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccncc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674623 561813589 /nfs/dbraw/zinc/81/35/89/561813589.db2.gz KUAJFMGQGXJNCK-VQJSHJPSSA-N 1 0 687.841 6.274 1 0 KKAFRO COC(=O)c1ccc(Cn2c3ccccc3nc2C(=O)C2CC[NH+](CC[C@]3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)cc1 ZINC000026716823 561814317 /nfs/dbraw/zinc/81/43/17/561814317.db2.gz WYLMUYOKAITMJI-SJARJILFSA-N 1 0 744.889 6.666 1 0 KKAFRO CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026720806 561815211 /nfs/dbraw/zinc/81/52/11/561815211.db2.gz TWPGFOWTCCVBGS-VMPREFPWSA-N 1 0 518.679 5.006 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(F)cc3F)C2)cc(OC)c1OC ZINC000026721404 561815351 /nfs/dbraw/zinc/81/53/51/561815351.db2.gz PVOZTVLKZYEWDB-HUESYALOSA-N 1 0 740.823 7.297 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000026726922 561816068 /nfs/dbraw/zinc/81/60/68/561816068.db2.gz RCZXTMTXMHGQDY-GASCZTMLSA-N 1 0 501.077 5.399 1 0 KKAFRO CC(C)([NH3+])CCS[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026826579 561822066 /nfs/dbraw/zinc/82/20/66/561822066.db2.gz DYQSKNXPPMLAQL-AREMUKBSSA-N 1 0 512.683 5.242 1 0 KKAFRO CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745608 561818809 /nfs/dbraw/zinc/81/88/09/561818809.db2.gz ZVWDWHLXLHRYDF-VMPREFPWSA-O 1 0 585.688 5.255 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)NC(C)(C)C)[C@@H]1c1ccccc1Cl ZINC000026829478 561822616 /nfs/dbraw/zinc/82/26/16/561822616.db2.gz FWGSJRZOTIAHEE-HGKLSIKASA-N 1 0 543.108 5.712 1 0 KKAFRO O=C(c1sc2ccccc2c1Cl)N1C[C@H]2C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]2C12CC[NH2+]CC2 ZINC000026830529 561822838 /nfs/dbraw/zinc/82/28/38/561822838.db2.gz YOFWXHCWDOJSFS-QUCCMNQESA-N 1 0 630.010 5.972 1 0 KKAFRO O=C1[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026834424 561823849 /nfs/dbraw/zinc/82/38/49/561823849.db2.gz MRCJEQKYMFKMPT-PUDHBBIYSA-N 1 0 606.210 7.769 1 0 KKAFRO COc1c(C(C)(C)C)cc([C@H]2SCC(=O)N2CCC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836308 561824337 /nfs/dbraw/zinc/82/43/37/561824337.db2.gz WEGQVYKRFYKPBT-GDLZYMKVSA-N 1 0 556.769 5.994 1 0 KKAFRO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[C@@H](CC[NH+]1CCC2(CSc3ccccc32)CC1)c1cccc(Cl)c1 ZINC000026839326 561825279 /nfs/dbraw/zinc/82/52/79/561825279.db2.gz MYRJOJANKGSZPA-LEAFIULHSA-N 1 0 560.163 6.116 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843706 561826110 /nfs/dbraw/zinc/82/61/10/561826110.db2.gz QRZABLVSQLMLCO-LJAQVGFWSA-N 1 0 723.337 6.798 1 0 KKAFRO O=S(=O)(c1cccs1)N1C[C@@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026844269 561826191 /nfs/dbraw/zinc/82/61/91/561826191.db2.gz MDZZMKUJQUEUHZ-KAYWLYCHSA-N 1 0 524.752 5.002 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCCC[NH+](C)C)CC3)Cc3ccccc32)cc1 ZINC000026844939 561826403 /nfs/dbraw/zinc/82/64/03/561826403.db2.gz BZWQFQJYEATIKN-PGUFJCEWSA-N 1 0 582.720 5.754 1 0 KKAFRO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000026935162 561827417 /nfs/dbraw/zinc/82/74/17/561827417.db2.gz LCIHAEIDPNKLAE-FCHUYYIVSA-N 1 0 520.696 6.729 1 0 KKAFRO Ic1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000026956383 561829224 /nfs/dbraw/zinc/82/92/24/561829224.db2.gz ZKCCJVNFEIZVCL-UHFFFAOYSA-N 1 0 559.448 5.948 1 0 KKAFRO O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)s2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000026955800 561829245 /nfs/dbraw/zinc/82/92/45/561829245.db2.gz UOJXXQBDFKUWIB-MHZLTWQESA-N 1 0 569.735 5.237 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccnc([C@@H](C)O)c2)c1 ZINC000026982282 561831455 /nfs/dbraw/zinc/83/14/55/561831455.db2.gz AFYQABBRKIZIFQ-KGVBQLMQSA-N 1 0 606.855 7.514 1 0 KKAFRO CC(=O)OCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000027074340 561833973 /nfs/dbraw/zinc/83/39/73/561833973.db2.gz XJEXKHNQUHSDNN-UHBGNVCTSA-N 1 0 634.865 7.524 1 0 KKAFRO CCc1nc(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836637 /nfs/dbraw/zinc/83/66/37/561836637.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 1 0 572.769 6.240 1 0 KKAFRO CC(C)CCOc1cc(OCCCc2ccccc2OCCCc2ccc(O)cc2)cc(OCCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000027098129 561838255 /nfs/dbraw/zinc/83/82/55/561838255.db2.gz VQLZWPANABQFRR-UHFFFAOYSA-N 1 0 610.795 7.746 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105863 561840152 /nfs/dbraw/zinc/84/01/52/561840152.db2.gz WUFGLRYZWOUQQM-PMERELPUSA-N 1 0 679.306 5.419 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](C[C@H](C)OCc2ccccc2)c2ccccc2)CC1 ZINC000027108489 561840839 /nfs/dbraw/zinc/84/08/39/561840839.db2.gz DXVIZQRYEHUENT-IUDBTDONSA-N 1 0 528.737 7.279 1 0 KKAFRO CC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189716 561843264 /nfs/dbraw/zinc/84/32/64/561843264.db2.gz WWFGVTCZQZISDD-UHFFFAOYSA-N 1 0 636.724 6.798 1 0 KKAFRO C[N@H+](Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191162 561843505 /nfs/dbraw/zinc/84/35/05/561843505.db2.gz MPGYHGSWNRWLLD-UHFFFAOYSA-N 1 0 690.694 7.340 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@@H]1C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027202118 561845299 /nfs/dbraw/zinc/84/52/99/561845299.db2.gz VCRKDNXOGDJUAN-DEOSSOPVSA-N 1 0 576.742 5.423 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(F)(F)CC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027211630 561847307 /nfs/dbraw/zinc/84/73/07/561847307.db2.gz CQEMIFOSYJYIJV-UHFFFAOYSA-N 1 0 598.695 5.280 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCC2)cn3Cc2ccccc2F)cc1 ZINC000027325590 561853418 /nfs/dbraw/zinc/85/34/18/561853418.db2.gz DCLRIOIGKNCEAU-UHFFFAOYSA-N 1 0 662.810 6.436 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000027416772 561857194 /nfs/dbraw/zinc/85/71/94/561857194.db2.gz HVWJVGHTKLDAGJ-MGBGTMOVSA-N 1 0 573.697 5.750 1 0 KKAFRO CN(C)C(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027521993 561864333 /nfs/dbraw/zinc/86/43/33/561864333.db2.gz SDQYFCQKLHFFCE-QMNXNGAPSA-N 1 0 530.672 5.397 1 0 KKAFRO CN(C[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027436973 561860189 /nfs/dbraw/zinc/86/01/89/561860189.db2.gz IXFOAHRLJSIABO-AREMUKBSSA-N 1 0 555.607 6.417 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000027437624 561860321 /nfs/dbraw/zinc/86/03/21/561860321.db2.gz SSPQQLUIJSOEHH-VWLOTQADSA-N 1 0 599.616 5.846 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2cccc(OC)c2)cc1 ZINC000027522173 561864374 /nfs/dbraw/zinc/86/43/74/561864374.db2.gz SRJFMCQYJFRTOX-MMMHUDGJSA-N 1 0 547.655 5.490 1 0 KKAFRO CCOc1cccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000027517417 561861177 /nfs/dbraw/zinc/86/11/77/561861177.db2.gz PPBGNSZPDCEZLQ-CMTCRBLHSA-N 1 0 561.682 5.880 1 0 KKAFRO FC(F)(F)c1cc(COC[C@H](c2ccccc2)N2CC[NH+](CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1 ZINC000027517444 561861190 /nfs/dbraw/zinc/86/11/90/561861190.db2.gz VLROGTSVMJUONC-HSZRJFAPSA-N 1 0 556.555 5.136 1 0 KKAFRO CCn1nccc1NC(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000027518102 561861844 /nfs/dbraw/zinc/86/18/44/561861844.db2.gz PTTTXYBAHSBHFC-NRFANRHFSA-N 1 0 548.087 5.845 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(Cl)ncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518099 561861855 /nfs/dbraw/zinc/86/18/55/561861855.db2.gz SPBRJOCVURJOMU-LJQANCHMSA-N 1 0 566.489 6.072 1 0 KKAFRO C[C@@H](OC(=O)C(C)(C)C)[n+]1cccc([C@H]2SCc3c(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)ccn32)c1 ZINC000027518226 561862034 /nfs/dbraw/zinc/86/20/34/561862034.db2.gz RCZUBJQVSFQLNY-DHYKOVJISA-N 1 0 639.773 7.199 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000027518346 561862159 /nfs/dbraw/zinc/86/21/59/561862159.db2.gz DZTHNMBIWFXTLC-XJEPXIRSSA-N 1 0 523.677 5.862 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccnc(C5CC5)n4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027518725 561862539 /nfs/dbraw/zinc/86/25/39/561862539.db2.gz XGVZFROGCMORAK-JOCHJYFZSA-N 1 0 572.109 6.296 1 0 KKAFRO COC[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027519911 561863267 /nfs/dbraw/zinc/86/32/67/561863267.db2.gz ZWTFULMWPLLWNJ-JFRINNALSA-N 1 0 503.646 5.955 1 0 KKAFRO COC(=O)C1=C(C)N=C(C)N(Cc2cccc(C[NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000027550853 561867864 /nfs/dbraw/zinc/86/78/64/561867864.db2.gz BVILLZIQPZNAQJ-YTTGMZPUSA-N 1 0 601.694 6.094 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)[NH3+])c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633612 561874069 /nfs/dbraw/zinc/87/40/69/561874069.db2.gz UMLDLWMDFVEGKD-BFGHFXMOSA-N 1 0 675.940 5.417 1 0 KKAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)N1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000027555796 561869478 /nfs/dbraw/zinc/86/94/78/561869478.db2.gz GFBZWGUJPGYRBU-GJJMEYSYSA-N 1 0 629.724 5.552 1 0 KKAFRO CCCC(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027560689 561870583 /nfs/dbraw/zinc/87/05/83/561870583.db2.gz GUPYRLGNMXIKFF-UHFFFAOYSA-N 1 0 610.799 6.755 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(F)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705917 561878773 /nfs/dbraw/zinc/87/87/73/561878773.db2.gz MBBCYKHIQWQOPP-UHFFFAOYSA-N 1 0 604.682 6.497 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCSc2nc3sc(C)c(C)c3c(=O)n2Nc2ccccc2)CC1 ZINC000027647508 561876118 /nfs/dbraw/zinc/87/61/18/561876118.db2.gz OHTPJAXSYGJOBQ-UHFFFAOYSA-N 1 0 535.739 5.263 1 0 KKAFRO O=C(/C=C/c1cncc(Br)c1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027657495 561878015 /nfs/dbraw/zinc/87/80/15/561878015.db2.gz BWGZMJNMJCYAAY-BUHFOSPRSA-N 1 0 533.514 5.161 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccoc3)cc1)CC2 ZINC000027657563 561878040 /nfs/dbraw/zinc/87/80/40/561878040.db2.gz NNMKTRRPXURKFQ-UHFFFAOYSA-N 1 0 525.605 5.402 1 0 KKAFRO N=C1NC(=[NH2+])N[C@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1c1cccc(Cl)c1 ZINC000027732640 561881372 /nfs/dbraw/zinc/88/13/72/561881372.db2.gz JGKAPLMXNSTCCA-QFIPXVFZSA-N 1 0 553.277 6.296 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 ZINC000027734370 561881737 /nfs/dbraw/zinc/88/17/37/561881737.db2.gz WIIDGEGJDZSGHC-FYZVQMPESA-N 1 0 539.720 6.270 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCCCCCOCCCCCc2ccccc2)C1 ZINC000027740437 561882519 /nfs/dbraw/zinc/88/25/19/561882519.db2.gz XWVOBBUZTLULSD-BHYZAODMSA-N 1 0 569.763 5.848 1 0 KKAFRO [NH3+]CCCCCCNC(=O)Cn1c(=O)c2cc(-c3ccccc3)ccc2nc1-c1ccc2ccccc2c1 ZINC000027878751 561888887 /nfs/dbraw/zinc/88/88/87/561888887.db2.gz UEIYETLQLNNFNK-UHFFFAOYSA-N 1 0 504.634 5.519 1 0 KKAFRO O=C(Nc1ccc(Oc2cccc(C(=O)NCC[NH+]3CCCCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027880302 561889006 /nfs/dbraw/zinc/88/90/06/561889006.db2.gz LVGIARZZJHBXQJ-UHFFFAOYSA-N 1 0 561.004 7.011 1 0 KKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027884675 561889318 /nfs/dbraw/zinc/88/93/18/561889318.db2.gz FPYIMCLXYPKJRQ-SSEXGKCCSA-N 1 0 558.616 6.280 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3n[nH]nc3c2)c1 ZINC000027981551 561891635 /nfs/dbraw/zinc/89/16/35/561891635.db2.gz IRGBFBDKCVRSAU-DBUALKDLSA-N 1 0 588.800 7.090 1 0 KKAFRO COc1ccc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1OC ZINC000027991514 561893186 /nfs/dbraw/zinc/89/31/86/561893186.db2.gz ZVBZQMAKVFUYKB-YTTGMZPUSA-N 1 0 612.554 5.245 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028000672 561894703 /nfs/dbraw/zinc/89/47/03/561894703.db2.gz NXOMERQYHOVJFN-XIFFEERXSA-N 1 0 662.010 6.983 1 0 KKAFRO O=C(c1cccc2ccccc21)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028003496 561895022 /nfs/dbraw/zinc/89/50/22/561895022.db2.gz ZQKNWAOHEDTKOE-UHFFFAOYSA-N 1 0 598.721 5.549 1 0 KKAFRO COc1cc2c(cc1OCC[NH2+]CCO)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1F ZINC000028005244 561895303 /nfs/dbraw/zinc/89/53/03/561895303.db2.gz GLHJMXRTDQUEOS-UHFFFAOYSA-N 1 0 519.617 6.177 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)C1CCCCC1 ZINC000028005534 561895477 /nfs/dbraw/zinc/89/54/77/561895477.db2.gz SXGHLCHUQYYTLS-VMPREFPWSA-N 1 0 549.756 5.527 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007560 561895750 /nfs/dbraw/zinc/89/57/50/561895750.db2.gz SWSCZYNFHOTCHT-HKBQPEDESA-N 1 0 550.721 6.203 1 0 KKAFRO CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007693 561895790 /nfs/dbraw/zinc/89/57/90/561895790.db2.gz RWVHBGCCFQXQBP-XNLCPIGASA-N 1 0 626.842 5.966 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007564 561895810 /nfs/dbraw/zinc/89/58/10/561895810.db2.gz SWSCZYNFHOTCHT-WJOKGBTCSA-N 1 0 550.721 6.203 1 0 KKAFRO CCOC1(c2ccccc2)CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010053 561896289 /nfs/dbraw/zinc/89/62/89/561896289.db2.gz XRYBFLWUJSWSOS-SANMLTNESA-N 1 0 539.547 7.267 1 0 KKAFRO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017564 561897756 /nfs/dbraw/zinc/89/77/56/561897756.db2.gz BQQDYTWNFPNXMT-IDLKRKCPSA-N 1 0 616.822 6.568 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC(C)C ZINC000028013601 561896798 /nfs/dbraw/zinc/89/67/98/561896798.db2.gz FAEAIUMVNYXDOL-PGUFJCEWSA-N 1 0 668.662 6.491 1 0 KKAFRO COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1csc3ccc(Br)cc13)CC2 ZINC000028015390 561897138 /nfs/dbraw/zinc/89/71/38/561897138.db2.gz RNSQYRRGVWKAGB-UHFFFAOYSA-N 1 0 531.516 5.173 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028015385 561897184 /nfs/dbraw/zinc/89/71/84/561897184.db2.gz VWVXJUWUORALDD-KJCODNFBSA-N 1 0 604.811 6.426 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897306 /nfs/dbraw/zinc/89/73/06/561897306.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 1 0 540.752 5.929 1 0 KKAFRO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016384 561897429 /nfs/dbraw/zinc/89/74/29/561897429.db2.gz WUOVQUPKHAFCDO-QOCRQHEPSA-N 1 0 590.784 6.036 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)C[C@@H](C)c2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028019511 561898159 /nfs/dbraw/zinc/89/81/59/561898159.db2.gz IGSKGZICNGWZMH-KCEHZKJRSA-N 1 0 564.748 6.764 1 0 KKAFRO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028020493 561898359 /nfs/dbraw/zinc/89/83/59/561898359.db2.gz VZEOWSJFLSQSHL-MKJJNCKNSA-N 1 0 652.855 7.820 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](CC[C@H](CNC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028020547 561898428 /nfs/dbraw/zinc/89/84/28/561898428.db2.gz YJNZRHCZFWPFOF-RUZDIDTESA-N 1 0 538.519 6.025 1 0 KKAFRO COc1ccc(OCCCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028021734 561898539 /nfs/dbraw/zinc/89/85/39/561898539.db2.gz IPZYEKFVICMSCL-YTTGMZPUSA-N 1 0 564.748 6.593 1 0 KKAFRO C[N@@H+]1CCCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028085960 561898976 /nfs/dbraw/zinc/89/89/76/561898976.db2.gz GBXQTAMUKOSFPP-UHFFFAOYSA-N 1 0 574.512 6.702 1 0 KKAFRO CCN(C[C@H](CC[NH+]1CCC(OC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028090727 561899784 /nfs/dbraw/zinc/89/97/84/561899784.db2.gz RRMBPRCSYFQDBN-DEOSSOPVSA-N 1 0 573.586 7.245 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000028090055 561899863 /nfs/dbraw/zinc/89/98/63/561899863.db2.gz LOCWHPYADPPCAK-AREMUKBSSA-N 1 0 561.553 7.376 1 0 KKAFRO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093863 561900375 /nfs/dbraw/zinc/90/03/75/561900375.db2.gz VPOHYCVKCIUOIJ-LOZBNSEJSA-N 1 0 616.822 6.570 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000028104182 561902027 /nfs/dbraw/zinc/90/20/27/561902027.db2.gz XKOGFRLCVUGXQM-HXUWFJFHSA-N 1 0 555.953 7.032 1 0 KKAFRO CC[NH+](CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028106290 561902285 /nfs/dbraw/zinc/90/22/85/561902285.db2.gz GNBCBCRWRBTDTP-UHFFFAOYSA-N 1 0 692.926 8.142 1 0 KKAFRO O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028105939 561902288 /nfs/dbraw/zinc/90/22/88/561902288.db2.gz GVTZHKIAVNUTSV-GOJCVTOHSA-N 1 0 648.892 5.927 1 0 KKAFRO O=C1NC(=O)C(c2nn(CCC[NH+]3CCOCC3)c3ccccc32)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12 ZINC000028112140 561903205 /nfs/dbraw/zinc/90/32/05/561903205.db2.gz KOVNFJBXMBASSU-UHFFFAOYSA-N 1 0 581.676 5.423 1 0 KKAFRO O=C(c1ccccc1)c1ccc2c(c1O)N[C@@H](c1ccccc1)[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113328 561903375 /nfs/dbraw/zinc/90/33/75/561903375.db2.gz IMGVLHPPOZVQNA-MFACQUFMSA-N 1 0 526.636 6.917 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4cnccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028120134 561904359 /nfs/dbraw/zinc/90/43/59/561904359.db2.gz LBHFPBVNSINXHG-NIYFSFCBSA-N 1 0 513.469 5.121 1 0 KKAFRO CC[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028127548 561905089 /nfs/dbraw/zinc/90/50/89/561905089.db2.gz ARYIMOASXQFMAS-FGZHOGPDSA-N 1 0 510.509 6.737 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128338 561905263 /nfs/dbraw/zinc/90/52/63/561905263.db2.gz NEDFFGGGMNIQHU-URLMMPGGSA-N 1 0 629.123 6.377 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128331 561905320 /nfs/dbraw/zinc/90/53/20/561905320.db2.gz NEDFFGGGMNIQHU-FQLXRVMXSA-N 1 0 629.123 6.377 1 0 KKAFRO COC[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028132125 561905978 /nfs/dbraw/zinc/90/59/78/561905978.db2.gz NIBJOLRGYNXOPG-QPPBQGQZSA-N 1 0 526.508 5.973 1 0 KKAFRO O=C1c2c(-c3ccccc3)cc(N3CCC([NH+]4CCCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028132899 561906047 /nfs/dbraw/zinc/90/60/47/561906047.db2.gz QPTDDZXEMKTNMV-UHFFFAOYSA-N 1 0 646.676 7.666 1 0 KKAFRO CCCC[N@@H+]1CC[C@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137376 561906892 /nfs/dbraw/zinc/90/68/92/561906892.db2.gz UTAPFVCSIYSFAD-IZZNHLLZSA-N 1 0 530.635 5.445 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCC[C@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217973 561907063 /nfs/dbraw/zinc/90/70/63/561907063.db2.gz RWAXNKUPBSKCHC-VWLOTQADSA-N 1 0 509.593 5.593 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222849 561907552 /nfs/dbraw/zinc/90/75/52/561907552.db2.gz CQWNTYVSWLSFBX-QXDHXCDMSA-N 1 0 590.652 9.396 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028242427 561910451 /nfs/dbraw/zinc/91/04/51/561910451.db2.gz JPRXROIKMOJKFY-NVXXTVOZSA-N 1 0 505.662 5.863 1 0 KKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028243117 561910594 /nfs/dbraw/zinc/91/05/94/561910594.db2.gz BYTPIWAFSDSLDV-JXMROGBWSA-N 1 0 515.604 5.585 1 0 KKAFRO O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000028245828 561910773 /nfs/dbraw/zinc/91/07/73/561910773.db2.gz ZTAQOVDEAOOASU-SDNWHVSQSA-N 1 0 533.594 5.849 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028247936 561910878 /nfs/dbraw/zinc/91/08/78/561910878.db2.gz SJZZEOSZOLFBGC-UHFFFAOYSA-N 1 0 623.725 6.907 1 0 KKAFRO Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028260157 561912036 /nfs/dbraw/zinc/91/20/36/561912036.db2.gz OMMOEEIMVKATBO-UHFFFAOYSA-N 1 0 580.635 5.781 1 0 KKAFRO COc1ccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3[C@H]2C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000028330824 561912705 /nfs/dbraw/zinc/91/27/05/561912705.db2.gz XLVCWURNHACJLI-XIFFEERXSA-N 1 0 557.735 5.178 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCCc1ccccc1)C(C)C ZINC000028332000 561912860 /nfs/dbraw/zinc/91/28/60/561912860.db2.gz HKNJDOKSAZDWKC-UUWRZZSWSA-N 1 0 555.763 5.949 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1)C(C)C ZINC000028341713 561914233 /nfs/dbraw/zinc/91/42/33/561914233.db2.gz GGJPQQMUVJRQGK-YTTGMZPUSA-N 1 0 527.709 5.169 1 0 KKAFRO [NH3+][C@@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028342037 561914256 /nfs/dbraw/zinc/91/42/56/561914256.db2.gz SJUIYCCLDVYYMH-VWLOTQADSA-N 1 0 517.573 5.183 1 0 KKAFRO C[C@](O)(CCC1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235867 561909612 /nfs/dbraw/zinc/90/96/12/561909612.db2.gz JJRGEKBCROFWOB-CIVDOVBRSA-N 1 0 540.695 5.633 1 0 KKAFRO COc1ccc(Br)c(CC2CC[NH+](C3CCC4(CC3)OC(=O)c3c4ccc4c3OCO4)CC2)c1 ZINC000028354633 561916006 /nfs/dbraw/zinc/91/60/06/561916006.db2.gz FJRFQSOAUQEHMW-UHFFFAOYSA-N 1 0 528.443 5.449 1 0 KKAFRO Cc1c(-c2csc(-c3ccccc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028361414 561916848 /nfs/dbraw/zinc/91/68/48/561916848.db2.gz RHBZPJJMDLBQLB-DEOSSOPVSA-N 1 0 530.600 5.135 1 0 KKAFRO COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000028361420 561916918 /nfs/dbraw/zinc/91/69/18/561916918.db2.gz DCMOVMXTFVOSNS-UHFFFAOYSA-N 1 0 502.615 5.737 1 0 KKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4cc(F)ccc4Br)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028365809 561917494 /nfs/dbraw/zinc/91/74/94/561917494.db2.gz DATDUNSZEMGGEN-UHFFFAOYSA-N 1 0 516.407 5.580 1 0 KKAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NC3CCCCC3)C(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000028371345 561918326 /nfs/dbraw/zinc/91/83/26/561918326.db2.gz OWFDSNLFSXJRCM-UHFFFAOYSA-N 1 0 692.821 5.155 1 0 KKAFRO O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028379589 561919831 /nfs/dbraw/zinc/91/98/31/561919831.db2.gz KMCBGZVIIVJGJV-NDEPHWFRSA-N 1 0 574.125 5.138 1 0 KKAFRO CN(CCC(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1)CC[NH+](C)C ZINC000028379775 561919925 /nfs/dbraw/zinc/91/99/25/561919925.db2.gz DOESYOYGSVZYGA-UHFFFAOYSA-N 1 0 619.109 6.546 1 0 KKAFRO CC(C)COCCC[NH2+][C@@H](C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028345828 561914927 /nfs/dbraw/zinc/91/49/27/561914927.db2.gz KEELGABBGYLGJD-AWMKSUOCSA-N 1 0 660.303 5.144 1 0 KKAFRO Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028387054 561921391 /nfs/dbraw/zinc/92/13/91/561921391.db2.gz SEPWPJVHMOIGQX-DEOSSOPVSA-N 1 0 565.045 5.789 1 0 KKAFRO COc1ccccc1Nc1nc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cs1 ZINC000028390584 561922109 /nfs/dbraw/zinc/92/21/09/561922109.db2.gz GGIHQOVLCZJBPP-QHCPKHFHSA-N 1 0 575.641 5.221 1 0 KKAFRO O=C(c1ccc2c(c1)OCO2)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)Cc1cccnc1 ZINC000028468034 561926453 /nfs/dbraw/zinc/92/64/53/561926453.db2.gz MRDLOAOBHRCLSP-UHFFFAOYSA-N 1 0 555.678 6.652 1 0 KKAFRO Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2CC[NH2+]2)cc(C)c1C ZINC000028397406 561923246 /nfs/dbraw/zinc/92/32/46/561923246.db2.gz GDAJKGRFKYAZPI-KRWDZBQOSA-N 1 0 524.046 5.008 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3Cc3ccc(F)cc3)c2=O)cc1 ZINC000028458710 561924516 /nfs/dbraw/zinc/92/45/16/561924516.db2.gz XUEHEXUEKKNRRD-RUPBQJJESA-N 1 0 635.205 6.091 1 0 KKAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028459271 561924795 /nfs/dbraw/zinc/92/47/95/561924795.db2.gz CKEMIYJHGIBYJA-KOBNTEELSA-N 1 0 638.897 6.496 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000028461183 561925125 /nfs/dbraw/zinc/92/51/25/561925125.db2.gz TZTKQORXQJAXBB-HAQLSYKPSA-N 1 0 671.185 6.895 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3cccc(Cl)c3)c2=O)cc1 ZINC000028462982 561925616 /nfs/dbraw/zinc/92/56/16/561925616.db2.gz CCBVLAPENSMADS-KSMSDSDGSA-N 1 0 637.633 6.530 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)c2=O)cc1 ZINC000028463883 561925933 /nfs/dbraw/zinc/92/59/33/561925933.db2.gz JEJAVPDZPHVIOZ-KSMSDSDGSA-N 1 0 621.178 6.015 1 0 KKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)N(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000028465439 561926179 /nfs/dbraw/zinc/92/61/79/561926179.db2.gz XGIADJVYGMKVCJ-UHFFFAOYSA-N 1 0 592.489 9.005 1 0 KKAFRO [NH3+][C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028471748 561927069 /nfs/dbraw/zinc/92/70/69/561927069.db2.gz QNIZBEIHYCQTEQ-QHCPKHFHSA-N 1 0 517.910 5.237 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471855 561927117 /nfs/dbraw/zinc/92/71/17/561927117.db2.gz YCGKTGCKPZIUKH-JOCHJYFZSA-N 1 0 525.524 5.691 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028527837 561932594 /nfs/dbraw/zinc/93/25/94/561932594.db2.gz ASZPWIAQUZJALQ-PMERELPUSA-N 1 0 553.168 5.821 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028474848 561927720 /nfs/dbraw/zinc/92/77/20/561927720.db2.gz NKESGSSPZVLTKI-OAQYLSRUSA-N 1 0 511.497 5.648 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028521477 561929267 /nfs/dbraw/zinc/92/92/67/561929267.db2.gz SFODKQIDIFSVNS-WTNLLYQRSA-N 1 0 514.714 5.497 1 0 KKAFRO CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522889 561929720 /nfs/dbraw/zinc/92/97/20/561929720.db2.gz WVCVAYYNQLGCHZ-MHZLTWQESA-N 1 0 530.679 6.816 1 0 KKAFRO O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cnccc1Oc1ccccc1 ZINC000028523705 561930383 /nfs/dbraw/zinc/93/03/83/561930383.db2.gz NDYNXABLRPQINW-ILBGXUMGSA-N 1 0 508.416 5.890 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccccn3)cs2)cc1 ZINC000028525319 561931202 /nfs/dbraw/zinc/93/12/02/561931202.db2.gz QPKZOOOOAYTKND-PMERELPUSA-N 1 0 570.740 5.462 1 0 KKAFRO NC(=O)C1CC[NH+](CCCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc32)CC1 ZINC000028525419 561931326 /nfs/dbraw/zinc/93/13/26/561931326.db2.gz TUWQPPDDQLRBMO-UHFFFAOYSA-N 1 0 512.614 5.060 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000028527301 561932376 /nfs/dbraw/zinc/93/23/76/561932376.db2.gz RMBIIDOEEPBEST-BHVANESWSA-N 1 0 673.901 5.969 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028528479 561933032 /nfs/dbraw/zinc/93/30/32/561933032.db2.gz CVPHPQWQOOHBMW-PMERELPUSA-N 1 0 586.720 6.187 1 0 KKAFRO COc1cc(Nc2nccc(-c3cc4ccccc4s3)n2)ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000028564228 561935631 /nfs/dbraw/zinc/93/56/31/561935631.db2.gz MRDGEZUUEBHTNO-UHFFFAOYSA-N 1 0 513.667 5.811 1 0 KKAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000028564740 561935738 /nfs/dbraw/zinc/93/57/38/561935738.db2.gz HKPCUIJZMRGJRZ-UHFFFAOYSA-N 1 0 611.625 5.051 1 0 KKAFRO CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(C(C)C)cc(C[NH3+])cc2C(C)C)c1=O ZINC000028564805 561935823 /nfs/dbraw/zinc/93/58/23/561935823.db2.gz IQBCOFZKZZIYFL-UHFFFAOYSA-N 1 0 555.723 7.222 1 0 in-vitro KKAFRO COc1cc(-c2nn(C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565028 561935913 /nfs/dbraw/zinc/93/59/13/561935913.db2.gz AGIZACGBAVDGOW-UHFFFAOYSA-N 1 0 654.669 5.142 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccc(F)cc3F)n2)CC1 ZINC000028565250 561936055 /nfs/dbraw/zinc/93/60/55/561936055.db2.gz AAVGYEROXZEBTI-UHFFFAOYSA-N 1 0 542.457 7.616 1 0 KKAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1 ZINC000028568228 561937255 /nfs/dbraw/zinc/93/72/55/561937255.db2.gz JTXRDCDRBGVWLB-UHFFFAOYSA-N 1 0 503.613 5.065 1 0 KKAFRO CC(C)(C)C[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000028572139 561939739 /nfs/dbraw/zinc/93/97/39/561939739.db2.gz OMUFSZWZFHZFQQ-RPLLCQBOSA-N 1 0 579.729 5.968 1 0 KKAFRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000028572288 561939960 /nfs/dbraw/zinc/93/99/60/561939960.db2.gz KAZCVKAOXNOPOL-VSKRKVRLSA-N 1 0 500.590 5.331 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000028604114 561940612 /nfs/dbraw/zinc/94/06/12/561940612.db2.gz URKBYKGEBFYONH-CSKARUKUSA-N 1 0 523.892 5.796 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 ZINC000028637119 561941429 /nfs/dbraw/zinc/94/14/29/561941429.db2.gz NQKIWLUUQGGHDS-SSEXGKCCSA-N 1 0 559.718 5.602 1 0 KKAFRO CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028636898 561941437 /nfs/dbraw/zinc/94/14/37/561941437.db2.gz KEKUJVBJRXHYFR-GDLZYMKVSA-N 1 0 553.755 6.134 1 0 KKAFRO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2CC[NH+]2CCCCC2)ccn1 ZINC000028636685 561941459 /nfs/dbraw/zinc/94/14/59/561941459.db2.gz XFLRINGJGXUMHW-RWYGWLOXSA-N 1 0 591.778 6.225 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1c[nH]c2ccccc12 ZINC000028636649 561941499 /nfs/dbraw/zinc/94/14/99/561941499.db2.gz SQMGDAVUTWCURS-GDLZYMKVSA-N 1 0 545.691 5.212 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000028644109 561944348 /nfs/dbraw/zinc/94/43/48/561944348.db2.gz BPKYYZPRHKGIFL-CLJLJLNGSA-N 1 0 589.680 5.643 1 0 KKAFRO C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC000028645339 561944628 /nfs/dbraw/zinc/94/46/28/561944628.db2.gz IPKKUXDCFVLCMQ-BVAGGSTKSA-N 1 0 536.560 6.960 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3ccc(-c4ccc(C(F)(F)F)cc4)s3)CC1)=CC2 ZINC000028708685 561950462 /nfs/dbraw/zinc/95/04/62/561950462.db2.gz ZGEWBDMYBJHVOV-UNMCSNQZSA-N 1 0 503.634 7.012 1 0 KKAFRO CS(=O)(=O)[C@@H]1CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000028710039 561950894 /nfs/dbraw/zinc/95/08/94/561950894.db2.gz XTQWBGVHINEJTO-HHHXNRCGSA-N 1 0 521.679 6.183 1 0 KKAFRO CC(=O)NCc1cccc([C@@]23C[C@@H]2C[C@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000028650149 561945896 /nfs/dbraw/zinc/94/58/96/561945896.db2.gz JOPIHJAFZWEPQJ-ZRLKGHKBSA-N 1 0 557.154 6.578 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCC[NH+]2CCCC2)c1Cl ZINC000028655647 561946682 /nfs/dbraw/zinc/94/66/82/561946682.db2.gz NAGOBWIFPKZEKG-UHFFFAOYSA-N 1 0 639.993 5.854 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1csc(NC(=O)C2CC2)n1 ZINC000028702793 561947291 /nfs/dbraw/zinc/94/72/91/561947291.db2.gz UFCKZCBEBVQNRA-RUZDIDTESA-N 1 0 638.678 7.199 1 0 KKAFRO CC(C)(C)C(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702801 561947299 /nfs/dbraw/zinc/94/72/99/561947299.db2.gz GXGLYUCMSMBLFQ-RUZDIDTESA-N 1 0 654.721 7.835 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704018 561948128 /nfs/dbraw/zinc/94/81/28/561948128.db2.gz JZQUTVIGHZYROK-DVJITBLFSA-N 1 0 590.652 7.986 1 0 KKAFRO COC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704033 561948139 /nfs/dbraw/zinc/94/81/39/561948139.db2.gz BZZXSUHOLOFNJP-DAORKYKSSA-N 1 0 580.613 6.832 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704094 561948258 /nfs/dbraw/zinc/94/82/58/561948258.db2.gz RXHGFTDZRGDCPK-PATLUPQASA-N 1 0 526.618 6.716 1 0 KKAFRO C[C@H]1C[N@@H+]([C@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704072 561948266 /nfs/dbraw/zinc/94/82/66/561948266.db2.gz NHWLZHAUUGGYKT-DVJITBLFSA-N 1 0 540.645 7.106 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704250 561948552 /nfs/dbraw/zinc/94/85/52/561948552.db2.gz ZHEYTIRGUSABKH-NDEPHWFRSA-N 1 0 582.166 6.021 1 0 KKAFRO COCC[N@@H+]1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711921 561952575 /nfs/dbraw/zinc/95/25/75/561952575.db2.gz BEASFCMYLAUGDO-QFIPXVFZSA-N 1 0 502.058 6.051 1 0 KKAFRO CCOc1ccc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc1C[NH+](CC)CC ZINC000028759232 561957492 /nfs/dbraw/zinc/95/74/92/561957492.db2.gz BXSXNAQPKDGANH-UHFFFAOYSA-N 1 0 514.461 6.696 1 0 KKAFRO CCOc1cc(C(=O)OCCCC[N@H+](CC)[C@@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768659 561960446 /nfs/dbraw/zinc/96/04/46/561960446.db2.gz RIMQMPNCHLPOTA-RUZDIDTESA-N 1 0 513.675 5.708 1 0 KKAFRO OCCCCCC[NH2+]C[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028769591 561960823 /nfs/dbraw/zinc/96/08/23/561960823.db2.gz SYYITBUAYQTKNQ-NJMTUYGZSA-N 1 0 586.773 6.155 1 0 KKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3ccc(I)cc3)n2)CC1 ZINC000028772073 561961675 /nfs/dbraw/zinc/96/16/75/561961675.db2.gz CTZGIVURZQRBBI-UHFFFAOYSA-N 1 0 515.443 6.043 1 0 KKAFRO c1ccc(C(CC[NH+]2CCN(CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816202 561964043 /nfs/dbraw/zinc/96/40/43/561964043.db2.gz QUMDLHSILZMXIA-NCRNUEESSA-N 1 0 638.852 8.823 1 0 KKAFRO C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1C[NH+]1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816391 561964100 /nfs/dbraw/zinc/96/41/00/561964100.db2.gz NGGXTXNCMMOGIG-HJIQQCSTSA-N 1 0 574.809 7.559 1 0 KKAFRO C[C@@H]1C[N@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816515 561964214 /nfs/dbraw/zinc/96/42/14/561964214.db2.gz SECUIVXEQRIXKP-WMBPSLEXSA-N 1 0 564.123 5.316 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816549 561964242 /nfs/dbraw/zinc/96/42/42/561964242.db2.gz AYPPOWPEGSXNSJ-YWEHKCAJSA-N 1 0 596.140 5.990 1 0 KKAFRO C[C@H]1C[N@@H+](C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816495 561964252 /nfs/dbraw/zinc/96/42/52/561964252.db2.gz FMMQURLBVRREQY-LCRMXPIESA-N 1 0 574.187 6.100 1 0 KKAFRO Fc1ccc(Br)cc1-c1nc2nccnc2c(N(CCc2ccccc2)c2cc[nH+]cc2)n1 ZINC000028822263 561966890 /nfs/dbraw/zinc/96/68/90/561966890.db2.gz PJEHSWNIQSJKGP-UHFFFAOYSA-N 1 0 501.363 5.764 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)Cc2ccccc2F)CC3)c1 ZINC000028823029 561967695 /nfs/dbraw/zinc/96/76/95/561967695.db2.gz QXKNGZFHGKLHEL-XMMPIXPASA-N 1 0 524.684 5.896 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]Cc2ccc(-c4nn[nH]n4)cc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823046 561967893 /nfs/dbraw/zinc/96/78/93/561967893.db2.gz VALATONXOTZEAD-JOCHJYFZSA-N 1 0 645.705 6.657 1 0 KKAFRO CC(=O)c1cccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)c1 ZINC000028823396 561967918 /nfs/dbraw/zinc/96/79/18/561967918.db2.gz UUOLOHCQXWDKEB-UHFFFAOYSA-N 1 0 559.799 7.393 1 0 KKAFRO COC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823413 561968094 /nfs/dbraw/zinc/96/80/94/561968094.db2.gz MYSIKQWSAXYSAE-UHFFFAOYSA-N 1 0 575.798 6.977 1 0 KKAFRO CC(=O)c1ccc(Cc2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823436 561968106 /nfs/dbraw/zinc/96/81/06/561968106.db2.gz JPIRXQSZJGNFKV-UHFFFAOYSA-N 1 0 558.811 7.240 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823434 561968110 /nfs/dbraw/zinc/96/81/10/561968110.db2.gz IDOZVBQOJCABES-UHFFFAOYSA-N 1 0 555.811 7.605 1 0 KKAFRO CC(C)C[C@H](NCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823899 561968558 /nfs/dbraw/zinc/96/85/58/561968558.db2.gz QASNNAVCCMXYPS-XTEPFMGCSA-N 1 0 642.594 5.530 1 0 KKAFRO CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)C1 ZINC000028824064 561968805 /nfs/dbraw/zinc/96/88/05/561968805.db2.gz XTCSPSZJBBGHKR-NXCFDTQHSA-N 1 0 565.080 5.315 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4c3cccc4Cl)CC2)C1 ZINC000028824427 561969637 /nfs/dbraw/zinc/96/96/37/561969637.db2.gz NZFCSAPTKKXGJD-QFIPXVFZSA-N 1 0 636.140 5.262 1 0 KKAFRO Cc1[nH]c2ccc(Cl)cc2c1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824430 561969644 /nfs/dbraw/zinc/96/96/44/561969644.db2.gz BPSAQZFVPPBVMN-DEOSSOPVSA-N 1 0 650.167 5.570 1 0 KKAFRO C[C@H]1C[N@H+](CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879404 561976303 /nfs/dbraw/zinc/97/63/03/561976303.db2.gz ZIDJCKAKCGREPA-XNZIZSAOSA-N 1 0 608.151 5.988 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CC[NH2+]CC2)c1 ZINC000028825259 561970687 /nfs/dbraw/zinc/97/06/87/561970687.db2.gz AEZQTUQCPDEUED-UHFFFAOYSA-N 1 0 507.034 5.668 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000028825278 561970695 /nfs/dbraw/zinc/97/06/95/561970695.db2.gz NQHNMXFESFWSLF-UHFFFAOYSA-N 1 0 597.159 7.581 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC[C@H]2CCCC[NH2+]2)c1 ZINC000028825258 561970704 /nfs/dbraw/zinc/97/07/04/561970704.db2.gz NZFYYEJXPLOPAU-OAQYLSRUSA-N 1 0 521.061 6.058 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CC[NH+](CC3CC3)CC2)c1 ZINC000028825270 561970710 /nfs/dbraw/zinc/97/07/10/561970710.db2.gz RDMCXRIZMCGROK-UHFFFAOYSA-N 1 0 561.126 6.790 1 0 KKAFRO [NH3+]CCCOc1cc(N2CCCCCC2)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000028825297 561970784 /nfs/dbraw/zinc/97/07/84/561970784.db2.gz JRUKETZDSGJGQQ-UHFFFAOYSA-N 1 0 522.049 5.348 1 0 KKAFRO COc1ccc2c(c1)c(CC(=O)N(CCCC[NH3+])C/C(C)=C/c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028825888 561971078 /nfs/dbraw/zinc/97/10/78/561971078.db2.gz BXQPDOCYIGQSTK-FCDQGJHFSA-N 1 0 558.122 6.514 1 0 KKAFRO COc1cc(Br)c(/C=C/CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000028826063 561971099 /nfs/dbraw/zinc/97/10/99/561971099.db2.gz MEDOEJBMXFGMBH-SOFGYWHQSA-N 1 0 650.702 8.279 1 0 KKAFRO COc1cc(Cl)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1OC ZINC000028826068 561971139 /nfs/dbraw/zinc/97/11/39/561971139.db2.gz BIPSMDWSUSSJDS-UHFFFAOYSA-N 1 0 686.337 8.953 1 0 KKAFRO O[C@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826467 561971354 /nfs/dbraw/zinc/97/13/54/561971354.db2.gz JUQWNHFUTIWARD-SOMWRMJPSA-N 1 0 502.250 5.642 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879630 561976407 /nfs/dbraw/zinc/97/64/07/561976407.db2.gz HFCBNESMBVZUHP-WDYNHAJCSA-N 1 0 622.178 6.522 1 0 KKAFRO COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(CCC(C)C)s4)n(C)c3)cc2)c1 ZINC000028864651 561973237 /nfs/dbraw/zinc/97/32/37/561973237.db2.gz JGJDRWTVFTVVEQ-OUKQBFOZSA-N 1 0 656.853 6.435 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000028867159 561973541 /nfs/dbraw/zinc/97/35/41/561973541.db2.gz XEPRNTQLEBCAFA-HLADLETHSA-N 1 0 541.180 5.249 1 0 KKAFRO COc1ccccc1[C@@H](c1ccccc1)N1CC[NH+](CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869857 561973806 /nfs/dbraw/zinc/97/38/06/561973806.db2.gz GUWMGLWQORYQFJ-SSEXGKCCSA-N 1 0 513.707 5.827 1 0 KKAFRO COc1ccccc1C(c1ccccc1OC)N1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869865 561973825 /nfs/dbraw/zinc/97/38/25/561973825.db2.gz HEJWFNURPGCDGT-UHFFFAOYSA-N 1 0 537.704 5.774 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc2ccccc2s1 ZINC000028869940 561973972 /nfs/dbraw/zinc/97/39/72/561973972.db2.gz WZTRJNUHJASJJE-UHFFFAOYSA-N 1 0 542.148 7.156 1 0 KKAFRO CCC(COC(C)=O)(COC(C)=O)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000028874453 561975178 /nfs/dbraw/zinc/97/51/78/561975178.db2.gz QWVFLOZCIRVGKF-UHFFFAOYSA-N 1 0 627.826 6.751 1 0 KKAFRO CCC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874672 561975204 /nfs/dbraw/zinc/97/52/04/561975204.db2.gz RYICDTOOZAJHGG-MUUNZHRXSA-N 1 0 507.675 5.230 1 0 KKAFRO CCC(CO)(CO)NC(=O)N(CCC1CC[NH+](Cc2ccc(C)cc2)CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000028874698 561975243 /nfs/dbraw/zinc/97/52/43/561975243.db2.gz GYZBVQHEGLLOMF-UHFFFAOYSA-N 1 0 561.742 5.748 1 0 KKAFRO CC(C)(OC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[C@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880601 561976749 /nfs/dbraw/zinc/97/67/49/561976749.db2.gz HSHATGMVTYSDEB-FQLXRVMXSA-N 1 0 606.204 6.629 1 0 KKAFRO CC[C@@H](C)C[C@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887400 561977796 /nfs/dbraw/zinc/97/77/96/561977796.db2.gz LOUSLMDIWLUSPD-NJHZRGNWSA-N 1 0 623.669 8.811 1 0 KKAFRO CC[NH+](CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887200 561977803 /nfs/dbraw/zinc/97/78/03/561977803.db2.gz WVQFUOVDZWCDRU-UHFFFAOYSA-N 1 0 551.562 7.560 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028887509 561977951 /nfs/dbraw/zinc/97/79/51/561977951.db2.gz NDGAGDVBEOJCDS-IBGZPJMESA-N 1 0 651.523 8.833 1 0 KKAFRO CN1CCN(C(=O)c2cc3c4ccccc4n(CCC[NH+]4CCCCC4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889689 561978156 /nfs/dbraw/zinc/97/81/56/561978156.db2.gz HOELLXZSKNZZQQ-UHFFFAOYSA-N 1 0 545.127 6.504 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccn2)n1C ZINC000028897645 561979387 /nfs/dbraw/zinc/97/93/87/561979387.db2.gz LGAWSQIHIHBBPT-UHFFFAOYSA-N 1 0 580.079 5.161 1 0 KKAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(-c3ccc(Cl)s3)s2)C1 ZINC000028955956 561983066 /nfs/dbraw/zinc/98/30/66/561983066.db2.gz NMADZMIBEVCFDZ-XLCPLWEUSA-N 1 0 577.197 5.180 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CC(=O)N(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957084 561983209 /nfs/dbraw/zinc/98/32/09/561983209.db2.gz BEPBXYAZDKQJHP-KKSFZXQISA-N 1 0 529.525 5.950 1 0 KKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCC[N@@H+]4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960885 561984072 /nfs/dbraw/zinc/98/40/72/561984072.db2.gz XOWKMVCDZXOXHR-NRFANRHFSA-N 1 0 523.464 6.459 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@H]3CCC[N@@H+](CC(C)C)C3)n2)s1 ZINC000028961223 561984147 /nfs/dbraw/zinc/98/41/47/561984147.db2.gz CGFALRMOMFBRRO-HXUWFJFHSA-N 1 0 598.695 7.303 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCN(CC(=O)N(C)C)CC2)c1 ZINC000028961473 561984220 /nfs/dbraw/zinc/98/42/20/561984220.db2.gz VPZCRWKFXSQLLK-UHFFFAOYSA-N 1 0 589.850 5.193 1 0 KKAFRO COc1cc(/C=C/C(=O)OC2CCC([N@H+](C)C3CCC(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000028967095 561985270 /nfs/dbraw/zinc/98/52/70/561985270.db2.gz GYWUGKYGQVCSEZ-CAOOACKPSA-N 1 0 641.758 5.706 1 0 KKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000028967690 561985317 /nfs/dbraw/zinc/98/53/17/561985317.db2.gz IANFZTQURGYKAN-UHFFFAOYSA-N 1 0 515.038 5.875 1 0 KKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6cccnc6)no5)CC4)cc3)nc2n1 ZINC000029037183 561988490 /nfs/dbraw/zinc/98/84/90/561988490.db2.gz FMXCGIWWQFOSTJ-UHFFFAOYSA-N 1 0 571.710 6.905 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039282 561989599 /nfs/dbraw/zinc/98/95/99/561989599.db2.gz YOHQLWKDUAJVSA-PKTNWEFCSA-N 1 0 639.228 6.309 1 0 KKAFRO CC(C)C[C@H](NC(=O)[C@@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039286 561989644 /nfs/dbraw/zinc/98/96/44/561989644.db2.gz SQHZFRPRZPWVMA-NEOYCHAESA-N 1 0 611.174 5.705 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2C(=O)OC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039344 561989743 /nfs/dbraw/zinc/98/97/43/561989743.db2.gz LCZSFRYSYIROLS-ALTZYDRJSA-N 1 0 637.143 5.119 1 0 KKAFRO CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039368 561989764 /nfs/dbraw/zinc/98/97/64/561989764.db2.gz OGVZETQIYCWTHE-JUFIIOIISA-N 1 0 589.608 5.575 1 0 KKAFRO CCOC(=O)N1CC[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2[C@@H]([NH3+])C(C)C)CC1 ZINC000029041098 561990948 /nfs/dbraw/zinc/99/09/48/561990948.db2.gz KUXIDPRKRBSWTL-ZSQFBXSQSA-N 1 0 547.527 5.312 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)OC(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041189 561991109 /nfs/dbraw/zinc/99/11/09/561991109.db2.gz XRFFPLYJFXWUFL-KGPYPHOUSA-N 1 0 541.136 5.356 1 0 KKAFRO COc1ccc2c(c1)[nH]cc2C1CC[NH+]([C@H](CO)C2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000029045133 561992398 /nfs/dbraw/zinc/99/23/98/561992398.db2.gz BOUGKGORFYZBDQ-PUNHFCBRSA-N 1 0 556.534 5.976 1 0 KKAFRO COCCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000029045904 561992728 /nfs/dbraw/zinc/99/27/28/561992728.db2.gz ZGGCVDLJPIVYGN-BVAGGSTKSA-N 1 0 504.502 5.317 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1O ZINC000029046863 561993145 /nfs/dbraw/zinc/99/31/45/561993145.db2.gz WCWRTGJHBXDPMB-HTXNQAPBSA-N 1 0 501.671 6.410 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccncc4)c3=O)CC2)C(C)C)c1 ZINC000029062206 561995880 /nfs/dbraw/zinc/99/58/80/561995880.db2.gz AYYSGMZEWUNOSV-SSEXGKCCSA-N 1 0 528.697 5.694 1 0 KKAFRO CN(CC[NH+](C)C)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125599 561997875 /nfs/dbraw/zinc/99/78/75/561997875.db2.gz QVLLFDDIYGBBAZ-HKBQPEDESA-N 1 0 715.269 5.503 1 0 KKAFRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029126777 561998904 /nfs/dbraw/zinc/99/89/04/561998904.db2.gz XZZVNLYLIJCASD-UHFFFAOYSA-N 1 0 525.660 6.436 1 0 KKAFRO Cn1nc(N)c2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc21 ZINC000029126917 561999269 /nfs/dbraw/zinc/99/92/69/561999269.db2.gz CFZCFLONWSUZFP-UHFFFAOYSA-N 1 0 529.648 5.365 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127173 561999551 /nfs/dbraw/zinc/99/95/51/561999551.db2.gz WHKXNUMKCCTWNI-UHFFFAOYSA-N 1 0 552.626 6.082 1 0 KKAFRO [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@H](c1c[nH]c2ccccc21)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F ZINC000029127845 562000331 /nfs/dbraw/zinc/00/03/31/562000331.db2.gz YZRDPNPPJTVMET-MHZLTWQESA-N 1 0 701.385 7.558 1 0 KKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000029130318 562002497 /nfs/dbraw/zinc/00/24/97/562002497.db2.gz ZXMLRIBTWAJYRQ-OOWIMERYSA-N 1 0 533.690 5.526 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 ZINC000029225566 562008129 /nfs/dbraw/zinc/00/81/29/562008129.db2.gz JFXHDYCZEZLQSE-NDEPHWFRSA-N 1 0 639.698 5.209 1 0 KKAFRO COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000029132988 562003511 /nfs/dbraw/zinc/00/35/11/562003511.db2.gz PEETWCXFFKUYPQ-UHFFFAOYSA-N 1 0 538.652 5.186 1 0 KKAFRO Cc1cc(-c2cc(OC(=O)c3c(Cl)cccc3Cl)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135714 562004516 /nfs/dbraw/zinc/00/45/16/562004516.db2.gz HZMBQKYDVRHSEH-UHFFFAOYSA-N 1 0 648.978 8.398 1 0 KKAFRO Cc1ccc(C(=O)Oc2ccc(Cl)c(-c3cc(C)c4nc(Nc5ccc(OCC[NH+]6CCCC6)cc5)nnc4c3)c2)cc1 ZINC000029136022 562004680 /nfs/dbraw/zinc/00/46/80/562004680.db2.gz JIXWHAJKXOZEJM-UHFFFAOYSA-N 1 0 594.115 7.399 1 0 KKAFRO COc1ccccc1COCCCOc1ncc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1 ZINC000029206599 562005161 /nfs/dbraw/zinc/00/51/61/562005161.db2.gz UNMOYPMWHBXSEG-NEEKEDPPSA-N 1 0 573.690 5.304 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 ZINC000029218550 562006855 /nfs/dbraw/zinc/00/68/55/562006855.db2.gz SLIMEVKNMJKEMU-XIFFEERXSA-N 1 0 632.746 5.451 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 ZINC000029222974 562007514 /nfs/dbraw/zinc/00/75/14/562007514.db2.gz LJZAWANAPKNWFU-PMERELPUSA-N 1 0 589.762 5.701 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 ZINC000029325883 562013362 /nfs/dbraw/zinc/01/33/62/562013362.db2.gz JTYWSBQBWKKARJ-LJAQVGFWSA-N 1 0 590.652 5.272 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029326529 562013533 /nfs/dbraw/zinc/01/35/33/562013533.db2.gz XLXGQVQLOQQNPQ-LJAQVGFWSA-N 1 0 608.642 6.089 1 0 KKAFRO Cc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029341463 562015254 /nfs/dbraw/zinc/01/52/54/562015254.db2.gz HOEDNINDIRCVBG-HSZRJFAPSA-N 1 0 502.467 6.139 1 0 KKAFRO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1)Nc1ccccc1 ZINC000029340713 562015265 /nfs/dbraw/zinc/01/52/65/562015265.db2.gz QNJLXHAEXOQYAY-ZWXJPIIXSA-N 1 0 563.771 5.927 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343727 562015867 /nfs/dbraw/zinc/01/58/67/562015867.db2.gz QXIZXTUHGDAAEB-IRRFQSKSSA-N 1 0 695.949 5.797 1 0 KKAFRO CN(CCC[NH+](C)C)C(=O)CN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029389336 562017004 /nfs/dbraw/zinc/01/70/04/562017004.db2.gz YLVLHHKAAKMTGN-PDDLMNHVSA-N 1 0 601.600 5.206 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCCC2)C1=O)NCc1cccc2ccccc21 ZINC000029392644 562017810 /nfs/dbraw/zinc/01/78/10/562017810.db2.gz TXTYPIWMDZWIMD-DLFZDVPBSA-N 1 0 613.611 5.398 1 0 KKAFRO C[NH+](C)CCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029393285 562017946 /nfs/dbraw/zinc/01/79/46/562017946.db2.gz KVAFEJLKEOBMSQ-ZEQKJWHPSA-N 1 0 516.494 5.357 1 0 KKAFRO Cn1nnnc1-c1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2ccccc2)c1 ZINC000029395336 562018420 /nfs/dbraw/zinc/01/84/20/562018420.db2.gz QXDGJWGKNDYCKN-QHCPKHFHSA-N 1 0 527.648 5.150 1 0 KKAFRO NC(=[NH2+])c1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029398667 562019246 /nfs/dbraw/zinc/01/92/46/562019246.db2.gz FCEQWUOAIRVQKP-UHFFFAOYSA-N 1 0 554.550 5.348 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1 ZINC000029334608 562014211 /nfs/dbraw/zinc/01/42/11/562014211.db2.gz VQTYANOITYVNNB-UHFFFAOYSA-N 1 0 537.660 6.792 1 0 KKAFRO CCOP(=O)(OCC)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000029408867 562021323 /nfs/dbraw/zinc/02/13/23/562021323.db2.gz OWFQFOYYSVADCB-UHFFFAOYSA-N 1 0 593.682 7.261 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029410987 562021681 /nfs/dbraw/zinc/02/16/81/562021681.db2.gz IDBKGTFOVFGQBA-FQEVSTJZSA-N 1 0 547.059 6.223 1 0 KKAFRO CCN(CCO)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1 ZINC000029412042 562021939 /nfs/dbraw/zinc/02/19/39/562021939.db2.gz YNYNCOSTUZSROQ-UHFFFAOYSA-N 1 0 512.698 5.456 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412993 562022320 /nfs/dbraw/zinc/02/23/20/562022320.db2.gz GETGSYUVNAQKQG-SZNOJMITSA-N 1 0 671.879 5.372 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc(Cl)c(Cl)c1)c2OCC[C@H]1CCCC[NH2+]1)NC1CC1 ZINC000029413073 562022331 /nfs/dbraw/zinc/02/23/31/562022331.db2.gz ASEOTCOKDIUIKD-OAHLLOKOSA-N 1 0 549.886 6.763 1 0 KKAFRO CC(=O)c1ccc2n(c1=O)[C@H](COC(=O)CCC(=O)NCCCOc1cccc(C[NH+]3CCCCC3)c1)Cc1c3ccccc3[nH]c1-2 ZINC000029462533 562023338 /nfs/dbraw/zinc/02/33/38/562023338.db2.gz YOYZIMDAMQNHQY-MHZLTWQESA-N 1 0 638.765 5.191 1 0 KKAFRO CCOC(=O)C1=C(COCC[NH+]2CCN(c3ccc(F)cc3)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029462970 562023423 /nfs/dbraw/zinc/02/34/23/562023423.db2.gz QIUWNYZCCWKEAE-TVLNSTGRSA-N 1 0 572.077 5.109 1 0 KKAFRO CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1=O ZINC000029480787 562027274 /nfs/dbraw/zinc/02/72/74/562027274.db2.gz WIYQBPUJBIMONN-DHUJRADRSA-N 1 0 606.815 6.468 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466637 562024473 /nfs/dbraw/zinc/02/44/73/562024473.db2.gz MRONPHMQIPIYRP-VYZBCKGMSA-N 1 0 724.002 5.103 1 0 KKAFRO CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029467372 562024707 /nfs/dbraw/zinc/02/47/07/562024707.db2.gz GNPAXXVNNKLBEO-UHFFFAOYSA-N 1 0 538.780 7.148 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)cc1 ZINC000029473031 562025896 /nfs/dbraw/zinc/02/58/96/562025896.db2.gz VYTBQANMHOWXBJ-UHFFFAOYSA-N 1 0 596.563 7.383 1 0 KKAFRO CCCN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2ccc(N3CCN(c4cc[nH+]cc4)CC3)cc2)C1=O ZINC000029474625 562026181 /nfs/dbraw/zinc/02/61/81/562026181.db2.gz QLODTSDJKHVWDH-YTTGMZPUSA-N 1 0 579.749 5.682 1 0 KKAFRO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029560326 562032957 /nfs/dbraw/zinc/03/29/57/562032957.db2.gz FKTJGLWQLNELFW-ZTTWIXQWSA-N 1 0 522.667 5.439 1 0 KKAFRO CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 ZINC000029484639 562027940 /nfs/dbraw/zinc/02/79/40/562027940.db2.gz VLMCGHLIULXVBE-CONSDPRKSA-N 1 0 535.773 5.698 1 0 KKAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn(Cc4ccccc4)n3)cc2)C1=O ZINC000029486645 562028516 /nfs/dbraw/zinc/02/85/16/562028516.db2.gz MPVBFVMTEILDFI-WJOKGBTCSA-N 1 0 599.739 5.147 1 0 KKAFRO COc1ccccc1N1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000029487763 562028736 /nfs/dbraw/zinc/02/87/36/562028736.db2.gz YOMYRRDBIFKPJV-VWLOTQADSA-N 1 0 528.480 5.026 1 0 KKAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)C1CCCCC1 ZINC000029488876 562028937 /nfs/dbraw/zinc/02/89/37/562028937.db2.gz RCNIBMAQLZWNRG-UWXQCODUSA-N 1 0 638.897 6.317 1 0 KKAFRO Cc1ccccc1N1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000029489331 562029049 /nfs/dbraw/zinc/02/90/49/562029049.db2.gz DUTQVRPRTFGQLG-SANMLTNESA-N 1 0 512.481 5.326 1 0 KKAFRO COc1ccc(OCCC[N@H+](CCOc2ccc3c(c2)OCO3)C(C)C)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551066 562030922 /nfs/dbraw/zinc/03/09/22/562030922.db2.gz LCYJTLRSGQLOLN-PMERELPUSA-N 1 0 564.704 5.792 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552334 562031338 /nfs/dbraw/zinc/03/13/38/562031338.db2.gz LBQWXRGNCPKOAP-PMERELPUSA-N 1 0 566.720 5.474 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552338 562031383 /nfs/dbraw/zinc/03/13/83/562031383.db2.gz LBQWXRGNCPKOAP-SSEXGKCCSA-N 1 0 566.720 5.474 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554685 562031809 /nfs/dbraw/zinc/03/18/09/562031809.db2.gz SILLYOVKLCANFF-SSEXGKCCSA-N 1 0 582.719 5.311 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC1CCCCC1)(C(=O)OC1CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029557343 562032300 /nfs/dbraw/zinc/03/23/00/562032300.db2.gz HCUYDELGRGZNGA-ZBLYBZFDSA-N 1 0 586.125 5.814 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCCOc1ccccc1)(C(=O)OCCOc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029562475 562033532 /nfs/dbraw/zinc/03/35/32/562033532.db2.gz LVPLNRZNJRTIGH-NJHZRGNWSA-N 1 0 662.135 5.306 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCc1cccc(Cl)c1)(C(=O)OCc1cccc(Cl)c1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029564241 562034024 /nfs/dbraw/zinc/03/40/24/562034024.db2.gz PUFQXDVTNLYBNT-PBBNMVCDSA-N 1 0 670.973 6.855 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 ZINC000029568405 562034896 /nfs/dbraw/zinc/03/48/96/562034896.db2.gz KNIUEVGRHZOFBO-HKBQPEDESA-N 1 0 584.767 5.657 1 0 KKAFRO COC(=O)[C@H](CCCC[NH3+])N(Cc1cccc(OCc2ccccc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000029569996 562035416 /nfs/dbraw/zinc/03/54/16/562035416.db2.gz OSGDQNFBVUNFDC-UMSFTDKQSA-N 1 0 552.715 6.517 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000029570036 562035433 /nfs/dbraw/zinc/03/54/33/562035433.db2.gz PVFRBOLJUSQATI-LJAQVGFWSA-N 1 0 596.734 6.285 1 0 KKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503568 562037406 /nfs/dbraw/zinc/03/74/06/562037406.db2.gz SGVAGNDDAYRYKV-PVTPYKNESA-N 1 0 517.739 5.738 1 0 KKAFRO OCCCCCCCCCCCCCc1ccc[n+](CCCCCCCCCCCCCc2cccnc2)c1 ZINC000034142494 562038224 /nfs/dbraw/zinc/03/82/24/562038224.db2.gz IJVPCYWZJDCIRA-UHFFFAOYSA-N 1 0 537.897 9.729 1 0 KKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c1-c1ccc(OC(C)C)cc1 ZINC000034252109 562038503 /nfs/dbraw/zinc/03/85/03/562038503.db2.gz UQPALZQYZZFISS-UHFFFAOYSA-N 1 0 512.694 7.413 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000034314929 562038679 /nfs/dbraw/zinc/03/86/79/562038679.db2.gz ZTBGLXWPXRXVOK-QZFRTWIZSA-N 1 0 515.698 5.002 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@H](C)OC(=O)C(C)(C)C)(C(=O)O[C@H](C)OC(=O)C(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561921 562033424 /nfs/dbraw/zinc/03/34/24/562033424.db2.gz JWTAFQLIDQSBBE-YCFYUYSTSA-N 1 0 678.175 5.019 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000034689167 562039664 /nfs/dbraw/zinc/03/96/64/562039664.db2.gz AINQVQKSQFDZMT-YDSCLTKRSA-N 1 0 547.655 5.490 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000034802924 562042250 /nfs/dbraw/zinc/04/22/50/562042250.db2.gz WWGXCRCPDYTLGA-UHFFFAOYSA-N 1 0 512.782 8.631 1 0 KKAFRO CC(=O)N1CCC[C@@H]([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804317 562043062 /nfs/dbraw/zinc/04/30/62/562043062.db2.gz JKIMXRFLUDBYCX-NAKRPHOHSA-N 1 0 621.666 6.666 1 0 KKAFRO CS(=O)(=O)N1CCC[C@@H]([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804368 562043146 /nfs/dbraw/zinc/04/31/46/562043146.db2.gz MTVVJDHGBGCJKF-SHQCIBLASA-N 1 0 657.721 6.079 1 0 KKAFRO CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804887 562043455 /nfs/dbraw/zinc/04/34/55/562043455.db2.gz JGSIEANYYGCVKS-VWLOTQADSA-N 1 0 655.718 5.113 1 0 KKAFRO Cn1c2ccc(Oc3ccnc(-c4nc(-c5ccccc5)c[nH]4)c3)cc2[nH+]c1Nc1cccc(C(C)(C)C)c1 ZINC000034983914 562044147 /nfs/dbraw/zinc/04/41/47/562044147.db2.gz PYBNNACSMHESLC-UHFFFAOYSA-N 1 0 514.633 7.859 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3CN(CCCc3cccnc3)CC4)CC2)c1 ZINC000036093023 562047099 /nfs/dbraw/zinc/04/70/99/562047099.db2.gz MYITWYAKEJQAFS-UHFFFAOYSA-N 1 0 528.144 5.893 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000036107633 562047324 /nfs/dbraw/zinc/04/73/24/562047324.db2.gz GUMNUIVKTFMZDK-IKZZSQBLSA-N 1 0 547.655 5.490 1 0 KKAFRO CC(C)NC(=O)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1 ZINC000036127115 562047773 /nfs/dbraw/zinc/04/77/73/562047773.db2.gz NPICKLFNKFSPIG-UHFFFAOYSA-N 1 0 500.578 5.001 1 0 KKAFRO Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCC(C)(C)CC5)C4)C3)s2)cc1 ZINC000036151836 562048222 /nfs/dbraw/zinc/04/82/22/562048222.db2.gz IYAIXFTUGYGMST-RPBOFIJWSA-N 1 0 522.759 5.623 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cccnc21 ZINC000036161415 562048658 /nfs/dbraw/zinc/04/86/58/562048658.db2.gz KTXQMKGEDUMKSB-AHKZPQOWSA-N 1 0 548.753 5.250 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)cc1Cl ZINC000036161450 562048806 /nfs/dbraw/zinc/04/88/06/562048806.db2.gz SBWGCQIBSAGBRU-WNCULLNHSA-N 1 0 546.177 5.664 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000036161702 562048916 /nfs/dbraw/zinc/04/89/16/562048916.db2.gz DDNUEGGLAHLSLQ-SZAHLOSFSA-N 1 0 581.782 6.429 1 0 KKAFRO c1cc(NCC2CCCCC2)cc2c1[nH]nc2-c1nc2cc(N3CCC([NH+]4CCCCC4)CC3)ccc2[nH]1 ZINC000036176866 562049345 /nfs/dbraw/zinc/04/93/45/562049345.db2.gz HMKZBWZSRGIVPM-UHFFFAOYSA-N 1 0 511.718 6.553 1 0 KKAFRO C[NH+](C)CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(N3CCOCC3)cc2)ncn1 ZINC000036187623 562050732 /nfs/dbraw/zinc/05/07/32/562050732.db2.gz UZDLHYRXAODLDT-UHFFFAOYSA-N 1 0 544.487 5.354 1 0 KKAFRO CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803245 562045356 /nfs/dbraw/zinc/04/53/56/562045356.db2.gz ZSCCDIZJMUBHJP-XMMPIXPASA-N 1 0 532.651 5.205 1 0 KKAFRO C[NH+](C)CCCNc1nccc(-c2c3ccc(C(F)(F)F)cn3nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000035904019 562045678 /nfs/dbraw/zinc/04/56/78/562045678.db2.gz OSYKJQYDJWZQOO-UHFFFAOYSA-N 1 0 508.470 5.860 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3c(o2)c2ccc3CCc3ccc(cc3)CC2)CC1 ZINC000036215323 562051152 /nfs/dbraw/zinc/05/11/52/562051152.db2.gz FNHANZYICZUWQM-UHFFFAOYSA-N 1 0 537.704 5.657 1 0 KKAFRO COc1cccc(Oc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)c1 ZINC000036241955 562052100 /nfs/dbraw/zinc/05/21/00/562052100.db2.gz JDUZSEINLGHJTH-UHFFFAOYSA-N 1 0 522.653 6.362 1 0 KKAFRO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCc3ccccc3C2)CC1 ZINC000036285022 562053616 /nfs/dbraw/zinc/05/36/16/562053616.db2.gz VQOIYAMYLOQWBL-SAIUNTKASA-N 1 0 620.213 5.385 1 0 KKAFRO CC[C@@H](C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285436 562054067 /nfs/dbraw/zinc/05/40/67/562054067.db2.gz DISYLWQACBWOEF-VOIUYBSRSA-N 1 0 516.435 6.340 1 0 KKAFRO Cc1[nH]c2ccccc2c1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285516 562054225 /nfs/dbraw/zinc/05/42/25/562054225.db2.gz WQMKKOKOWWDFGB-DEOSSOPVSA-N 1 0 500.609 5.822 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2F)CC1 ZINC000036285834 562054467 /nfs/dbraw/zinc/05/44/67/562054467.db2.gz LEEZXXVWCIZSBN-SBUREZEXSA-N 1 0 514.007 6.071 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2c(ncn2Cc2c(F)cccc2F)c(Br)c1 ZINC000036330277 562055475 /nfs/dbraw/zinc/05/54/75/562055475.db2.gz PUAJXXAGCRBPIT-UHFFFAOYSA-N 1 0 557.467 5.026 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 ZINC000036349190 562057860 /nfs/dbraw/zinc/05/78/60/562057860.db2.gz ARHSHAJHTRTUQE-GDLZYMKVSA-N 1 0 624.587 5.974 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000036351483 562058378 /nfs/dbraw/zinc/05/83/78/562058378.db2.gz NEDFFGGGMNIQHU-VMPREFPWSA-N 1 0 629.123 6.377 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000036351494 562058566 /nfs/dbraw/zinc/05/85/66/562058566.db2.gz SKWFXNIWDGEMBS-BJKOFHAPSA-N 1 0 591.744 6.070 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1 ZINC000036351614 562058857 /nfs/dbraw/zinc/05/88/57/562058857.db2.gz KUEKCOBCKTZYMK-GZGNHOFSSA-N 1 0 524.628 5.498 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000036378317 562059648 /nfs/dbraw/zinc/05/96/48/562059648.db2.gz XSULJBUFDAGKHO-HOFKKMOUSA-N 1 0 534.741 6.863 3 0 KKAFRO CC[C@H]1CN(c2ncc(-c3nnco3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488115 562060973 /nfs/dbraw/zinc/06/09/73/562060973.db2.gz IRFWKBVXRGRZHN-FQEVSTJZSA-N 1 0 519.452 5.143 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CC[NH+](C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000036758576 562061501 /nfs/dbraw/zinc/06/15/01/562061501.db2.gz QRDWGUVCGQETNO-UHFFFAOYSA-N 1 0 672.783 5.835 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(-c5cccs5)c4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000038146655 562065303 /nfs/dbraw/zinc/06/53/03/562065303.db2.gz CPTHLCALGNOEEX-UHFFFAOYSA-N 1 0 623.701 6.480 3 0 KKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(C[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000038149685 562066201 /nfs/dbraw/zinc/06/62/01/562066201.db2.gz QOIDPHCDTNXCDA-UHFFFAOYSA-N 1 0 569.155 7.305 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152412 562067260 /nfs/dbraw/zinc/06/72/60/562067260.db2.gz MSTVZNMCSCYCDP-UFCSOYEJSA-N 1 0 559.776 5.168 1 0 KKAFRO CN(C[C@@](C)(CC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152411 562067280 /nfs/dbraw/zinc/06/72/80/562067280.db2.gz MSTVZNMCSCYCDP-INJYMACJSA-N 1 0 559.776 5.168 1 0 KKAFRO CC/C=C\CCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000038155694 562067982 /nfs/dbraw/zinc/06/79/82/562067982.db2.gz DPKOMJNOBBYDOH-HJWRWDBZSA-N 1 0 571.187 8.152 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1 ZINC000040404749 562074849 /nfs/dbraw/zinc/07/48/49/562074849.db2.gz RRBYOZUVIOQSSM-UHFFFAOYSA-N 1 0 509.006 7.128 1 0 KKAFRO O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@H]2C[NH2+]C[C@@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000039260570 562072994 /nfs/dbraw/zinc/07/29/94/562072994.db2.gz SXZFQYPWEANJGQ-DWACAAAGSA-N 1 0 646.993 7.215 1 0 in-vitro KKAFRO CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392924 562073797 /nfs/dbraw/zinc/07/37/97/562073797.db2.gz JRDUTWSFVKMJDC-DCFHFQCYSA-N 1 0 530.540 6.356 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040393271 562073898 /nfs/dbraw/zinc/07/38/98/562073898.db2.gz XCKZULXGGOOYNU-DWACAAAGSA-N 1 0 510.122 5.632 1 0 KKAFRO CCN(C(=O)Cc1ccc(Cl)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040393272 562073943 /nfs/dbraw/zinc/07/39/43/562073943.db2.gz XCKZULXGGOOYNU-DFHRPNOPSA-N 1 0 510.122 5.632 1 0 KKAFRO CC(C)NC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394770 562074225 /nfs/dbraw/zinc/07/42/25/562074225.db2.gz WSYZPVUHMNOUKM-ONCRSHKTSA-N 1 0 507.505 7.172 1 0 KKAFRO C[N@H+](CCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000040875110 562082059 /nfs/dbraw/zinc/08/20/59/562082059.db2.gz LKCADBHGVXHIJF-UHFFFAOYSA-N 1 0 503.440 6.294 1 0 KKAFRO COCCCn1c2ccc(C[N@H+](C)C3CCCCC3)cc2nc1NC(=O)c1cccc(Br)c1 ZINC000040423635 562076325 /nfs/dbraw/zinc/07/63/25/562076325.db2.gz ACVANEVBTQGRLW-UHFFFAOYSA-N 1 0 513.480 5.852 1 0 KKAFRO CC(=O)O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040430260 562076718 /nfs/dbraw/zinc/07/67/18/562076718.db2.gz UGEKBRAUIATXBS-PMERELPUSA-N 1 0 507.625 5.285 1 0 KKAFRO COc1ccc(C(O)(c2ccc(OC)cc2)C2CC[NH+](CCCOc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000040503951 562077607 /nfs/dbraw/zinc/07/76/07/562077607.db2.gz RTANZDADMKOZHT-UHFFFAOYSA-N 1 0 533.665 5.332 1 0 KKAFRO COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C(C)C)CC1 ZINC000040565492 562077921 /nfs/dbraw/zinc/07/79/21/562077921.db2.gz VBEOBBGCDHWKJI-QFIPXVFZSA-N 1 0 505.486 6.269 1 0 KKAFRO COc1cc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567893 562078219 /nfs/dbraw/zinc/07/82/19/562078219.db2.gz ZPMYQJFFJVPFJF-UHFFFAOYSA-N 1 0 514.588 7.131 1 0 KKAFRO CCOC(=O)c1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040641550 562078676 /nfs/dbraw/zinc/07/86/76/562078676.db2.gz JQBLCRRCBHPNJN-UHFFFAOYSA-N 1 0 509.593 5.559 1 0 KKAFRO CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH2+]CC)c(CC)c1 ZINC000040874302 562081921 /nfs/dbraw/zinc/08/19/21/562081921.db2.gz MIHWNDZQGFGAGU-UHFFFAOYSA-N 1 0 519.423 6.162 1 0 KKAFRO C[NH2+]CCCOc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000040891765 562082700 /nfs/dbraw/zinc/08/27/00/562082700.db2.gz SXRPINFLPQMOJG-LBPRGKRZSA-N 1 0 501.887 5.488 1 0 KKAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1NCCOc1ccccc1)[N@H+](CCOc1ccccc1)CC2 ZINC000040894605 562083022 /nfs/dbraw/zinc/08/30/22/562083022.db2.gz YVKMEOMVEXNHNK-XIFFEERXSA-N 1 0 524.661 6.221 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895176 562083029 /nfs/dbraw/zinc/08/30/29/562083029.db2.gz GJNISUGDHSTIAF-MHZLTWQESA-N 1 0 501.509 5.422 1 0 KKAFRO COc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccccn2)C3)c1 ZINC000040898073 562083157 /nfs/dbraw/zinc/08/31/57/562083157.db2.gz FZGJOQIUVBVNBJ-VWLOTQADSA-N 1 0 517.551 6.285 1 0 KKAFRO CC[NH2+]Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)[nH]1 ZINC000040914112 562083776 /nfs/dbraw/zinc/08/37/76/562083776.db2.gz ZKRKJAPDCNQMCJ-UHFFFAOYSA-N 1 0 508.022 6.911 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(N3CC[NH2+]CC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000040914242 562083781 /nfs/dbraw/zinc/08/37/81/562083781.db2.gz RGONZPPAFAIBGE-UHFFFAOYSA-N 1 0 526.725 5.859 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)[nH]1 ZINC000040918256 562084229 /nfs/dbraw/zinc/08/42/29/562084229.db2.gz ZUDQNEUWKCAHQC-UHFFFAOYSA-N 1 0 508.022 6.863 1 0 KKAFRO O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937373 562085387 /nfs/dbraw/zinc/08/53/87/562085387.db2.gz VKLJOUGRSNUTNZ-DEOSSOPVSA-N 1 0 521.652 6.299 1 0 in-vitro KKAFRO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000040939694 562085676 /nfs/dbraw/zinc/08/56/76/562085676.db2.gz FAQFTGOKWFPSKQ-UHFFFAOYSA-N 1 0 510.613 5.408 1 0 KKAFRO O=C1N=C(NC2CCCCC2)C2(CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)N1c1cccc(F)c1 ZINC000040956184 562086572 /nfs/dbraw/zinc/08/65/72/562086572.db2.gz JPHRZSOAJYCXBN-UHFFFAOYSA-N 1 0 510.657 6.788 1 0 KKAFRO C=CC(=O)O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974822 562087083 /nfs/dbraw/zinc/08/70/83/562087083.db2.gz ABVNRCMHGLYMGT-PMERELPUSA-N 1 0 519.636 5.971 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@@]1(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C1)CC2 ZINC000042802926 562087983 /nfs/dbraw/zinc/08/79/83/562087983.db2.gz XSVMXTIGTBKCGV-MGBGTMOVSA-N 1 0 605.610 6.263 1 0 KKAFRO S=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3ccn12 ZINC000042803732 562088366 /nfs/dbraw/zinc/08/83/66/562088366.db2.gz QURASFLBSZXYIT-UHFFFAOYSA-N 1 0 595.736 6.460 1 0 KKAFRO FC(F)(F)c1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc(C[NH+]3CCCC3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000042803940 562088456 /nfs/dbraw/zinc/08/84/56/562088456.db2.gz NKVRCQXNNIAFFP-AREMUKBSSA-N 1 0 563.973 8.723 1 0 KKAFRO CNC(=[NH2+])Nc1cccc(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OCCCC(C)C)c2)c1 ZINC000085596225 560063512 /nfs/dbraw/zinc/06/35/12/560063512.db2.gz OWDNWJFASGTLDQ-LJAQVGFWSA-N 1 0 553.788 6.912 1 0 biogenic,in-vitro KKAFRO COc1cc(CCC(=O)CC(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085627007 560068957 /nfs/dbraw/zinc/06/89/57/560068957.db2.gz NKJWYLRSEHACNG-WHMAPKLYSA-N 1 0 579.697 6.117 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@]3(CCCC4(CCCC4)C3)C[N@@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532330 560073019 /nfs/dbraw/zinc/07/30/19/560073019.db2.gz CJULYHCDODMXPM-KIPSNJRYSA-N 1 0 577.806 7.162 1 0 biogenic,in-vitro KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c4c(c31)Oc1c(cc3c(c1OC)C(=NCC3)C2)O4 ZINC000085531053 560073263 /nfs/dbraw/zinc/07/32/63/560073263.db2.gz RRLSZRJXBFELBU-DEOSSOPVSA-N 1 0 576.649 6.734 1 0 biogenic,in-vitro KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043120042 562646031 /nfs/dbraw/zinc/64/60/31/562646031.db2.gz UWQWKEPZJZVFAV-PMERELPUSA-N 1 0 532.610 6.399 1 0 KKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1-c1ccc2ccccc2c1 ZINC000043132928 562646330 /nfs/dbraw/zinc/64/63/30/562646330.db2.gz INRVVENBVKPKAM-UHFFFAOYSA-N 1 0 618.785 7.861 1 0 KKAFRO O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000043176701 562646667 /nfs/dbraw/zinc/64/66/67/562646667.db2.gz JVVGHVJDZJSKRA-UHFFFAOYSA-N 1 0 584.086 6.553 1 0 in-vitro KKAFRO CCOC(=O)c1ccc(-n2c3cc(F)ccc3c(C3CC[NH+](CCCSc4ccc(F)cc4)CC3)c2CC)nc1 ZINC000043195446 562646727 /nfs/dbraw/zinc/64/67/27/562646727.db2.gz WCDMZYLZUNFULY-UHFFFAOYSA-N 1 0 563.714 7.405 1 0 KKAFRO CN(CCC[NH+](C)C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1 ZINC000043199963 562646875 /nfs/dbraw/zinc/64/68/75/562646875.db2.gz LWWQYOWAPGRPRH-NDEPHWFRSA-N 1 0 629.636 7.152 1 0 in-vitro KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1cccs1 ZINC000043205437 562646994 /nfs/dbraw/zinc/64/69/94/562646994.db2.gz OCZMNYKUZZMGJF-SANMLTNESA-N 1 0 541.758 5.169 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@](O)(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000043409130 562648219 /nfs/dbraw/zinc/64/82/19/562648219.db2.gz PTEAYHWSRKORAG-PMERELPUSA-N 1 0 541.610 6.334 1 0 KKAFRO COC(=O)CCCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543879 562649472 /nfs/dbraw/zinc/64/94/72/562649472.db2.gz QJUAXODEEXVVSK-NWKCFVCZSA-N 1 0 515.779 6.846 1 0 KKAFRO C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000043589941 562650101 /nfs/dbraw/zinc/65/01/01/562650101.db2.gz UTHMUINLECVICV-VCWUMBODSA-N 1 0 550.096 5.115 1 0 KKAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052552 562651789 /nfs/dbraw/zinc/65/17/89/562651789.db2.gz MDLRAEPVBHKBOT-AREMUKBSSA-N 1 0 546.405 5.135 1 0 KKAFRO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000044053439 562652031 /nfs/dbraw/zinc/65/20/31/562652031.db2.gz UCNXWZXDSONCSL-NOCHOARKSA-N 1 0 600.763 5.491 1 0 KKAFRO COC(=O)C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044069517 562652080 /nfs/dbraw/zinc/65/20/80/562652080.db2.gz UCAVKEAIPYYIJW-NRFANRHFSA-N 1 0 544.536 5.789 1 0 KKAFRO O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)c1 ZINC000044306553 562653764 /nfs/dbraw/zinc/65/37/64/562653764.db2.gz FVOSZWWLOFOCFP-UHFFFAOYSA-N 1 0 601.661 7.328 1 0 KKAFRO CCc1ccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH]2)cc1 ZINC000044307743 562654090 /nfs/dbraw/zinc/65/40/90/562654090.db2.gz QHVQCMAHEGNPBI-UHFFFAOYSA-N 1 0 534.586 5.888 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@H]3CCC[N@H+]3CC(C)C)ncn2)s1 ZINC000044351231 562654522 /nfs/dbraw/zinc/65/45/22/562654522.db2.gz GYHAPTAGIQVJLR-JOCHJYFZSA-N 1 0 598.651 6.582 1 0 KKAFRO CCC[NH+](CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 ZINC000044351506 562654731 /nfs/dbraw/zinc/65/47/31/562654731.db2.gz HSYKEOJQDMDTMN-LLGBQNBKSA-N 1 0 627.795 5.407 1 0 KKAFRO COCCN(CC(=O)N(C)[C@@H](C[NH+]1CCCC1)c1ccc(-c2ccc(C(N)=O)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000044351862 562654896 /nfs/dbraw/zinc/65/48/96/562654896.db2.gz GWRZMVNMDPUMHU-LJAQVGFWSA-N 1 0 583.560 5.508 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(CC[NH+]3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044352618 562655215 /nfs/dbraw/zinc/65/52/15/562655215.db2.gz HBKSVRJUPJKKTN-UHFFFAOYSA-N 1 0 531.504 7.111 1 0 KKAFRO COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc21 ZINC000044360798 562655648 /nfs/dbraw/zinc/65/56/48/562655648.db2.gz CAQLNQYCCKYWJX-UHFFFAOYSA-N 1 0 543.716 6.220 1 0 KKAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000044387532 562656135 /nfs/dbraw/zinc/65/61/35/562656135.db2.gz KPCQJMOTOVCVKD-BHDXBOSCSA-N 1 0 582.745 5.024 1 0 KKAFRO CC[N@H+](CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416752 562656978 /nfs/dbraw/zinc/65/69/78/562656978.db2.gz UPQMKAIHADRBKX-JOCHJYFZSA-N 1 0 568.187 5.988 1 0 KKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(C(F)(F)F)c2)C1 ZINC000044417572 562657129 /nfs/dbraw/zinc/65/71/29/562657129.db2.gz QCLCLBSPZZIVTH-UHFFFAOYSA-N 1 0 535.574 6.062 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)cs1 ZINC000044419309 562657444 /nfs/dbraw/zinc/65/74/44/562657444.db2.gz RAKHTNLGXMUAQG-UHFFFAOYSA-N 1 0 603.166 6.669 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1I ZINC000045167627 562657998 /nfs/dbraw/zinc/65/79/98/562657998.db2.gz CYQRUYGVNWTHRA-UHFFFAOYSA-N 1 0 501.368 5.543 1 0 KKAFRO C[N@H+]([C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)C1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000045167720 562658078 /nfs/dbraw/zinc/65/80/78/562658078.db2.gz FQOWQNGUWRKVAS-ZKEULCGYSA-N 1 0 543.752 6.473 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4cnccc43)CC2)CC1 ZINC000045168238 562658089 /nfs/dbraw/zinc/65/80/89/562658089.db2.gz HWGRSQUAXSSSHZ-DUXPYHPUSA-N 1 0 511.497 6.391 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCOc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000045168638 562658145 /nfs/dbraw/zinc/65/81/45/562658145.db2.gz BLKQMXAHAGKFHQ-YBFXNURJSA-N 1 0 516.682 6.554 1 0 KKAFRO COc1cc(C(=O)NCc2ccco2)ccc1OC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000045187237 562658285 /nfs/dbraw/zinc/65/82/85/562658285.db2.gz FGZRRYLJNQMTFW-UHFFFAOYSA-N 1 0 510.634 5.894 1 0 KKAFRO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045188710 562658311 /nfs/dbraw/zinc/65/83/11/562658311.db2.gz RFYJBIAMIACESA-UHFFFAOYSA-N 1 0 517.848 5.849 1 0 KKAFRO COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045189283 562658377 /nfs/dbraw/zinc/65/83/77/562658377.db2.gz FHVDHCUIIDBQIS-UHFFFAOYSA-N 1 0 508.449 6.545 1 0 KKAFRO O=C(Nc1ccccc1)Nc1cccc(-c2cc(C[NH2+]CCc3ccccc3)sc2-c2ccncc2)c1 ZINC000045191281 562658580 /nfs/dbraw/zinc/65/85/80/562658580.db2.gz AYMPPEXLQZDLQA-UHFFFAOYSA-N 1 0 504.659 7.453 1 0 KKAFRO OC[C@@H](c1ccccc1)n1c(COc2ccc(Cl)cc2)nc2c1cccc2OCCC[NH+]1CCCCC1 ZINC000045192666 562658599 /nfs/dbraw/zinc/65/85/99/562658599.db2.gz QGNUHSXLFMVOCI-MHZLTWQESA-N 1 0 520.073 6.105 1 0 KKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)cc3)nc2c1 ZINC000045194142 562658746 /nfs/dbraw/zinc/65/87/46/562658746.db2.gz PULJRYWDZXWXFU-UHFFFAOYSA-N 1 0 514.555 6.028 1 0 KKAFRO O=C(NCCC[NH+]1CCC(NC(=O)c2ccc(-c3cccnc3)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000045201012 562658974 /nfs/dbraw/zinc/65/89/74/562658974.db2.gz VEZUJWAAVJQUQH-UHFFFAOYSA-N 1 0 511.453 5.070 1 0 KKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)c1 ZINC000045201388 562659068 /nfs/dbraw/zinc/65/90/68/562659068.db2.gz LNOHPYFABWLRNJ-UHFFFAOYSA-N 1 0 515.535 6.992 1 0 KKAFRO COc1cc2c(c(Cl)c1OC)CC[N@H+](Cc1ccccc1)C[C@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201382 562659077 /nfs/dbraw/zinc/65/90/77/562659077.db2.gz QQMFIUATCMBQRK-QFIPXVFZSA-N 1 0 518.963 6.048 1 0 KKAFRO O=c1cc(NCCC[NH2+]Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000045203011 562659222 /nfs/dbraw/zinc/65/92/22/562659222.db2.gz FTEVECRFPKFLGW-UHFFFAOYSA-N 1 0 516.856 6.659 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC1CCC([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202896 562659258 /nfs/dbraw/zinc/65/92/58/562659258.db2.gz SGHXIAUNTIFVHL-XYOKQWHBSA-N 1 0 510.509 7.043 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045210012 562659299 /nfs/dbraw/zinc/65/92/99/562659299.db2.gz QQSRLTFRRAMEFT-MGBGTMOVSA-N 1 0 529.725 6.001 1 0 KKAFRO O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(cccc3OCC[NH+]3CCCC3)c2-c2ccncc2)c1 ZINC000045210179 562659305 /nfs/dbraw/zinc/65/93/05/562659305.db2.gz WOIBPTLVUTZQDO-UHFFFAOYSA-N 1 0 518.621 6.182 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045210703 562659316 /nfs/dbraw/zinc/65/93/16/562659316.db2.gz QOOXSJMYERMZSS-LOULHMMLSA-N 1 0 522.904 6.297 1 0 KKAFRO O=C(N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045227789 562659385 /nfs/dbraw/zinc/65/93/85/562659385.db2.gz SPNHGMFIFSJOHI-VWLOTQADSA-N 1 0 531.619 5.359 1 0 KKAFRO O=C(Nc1ccc(-c2ccccc2)c(OCCN2CC[NH2+]CC2)c1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000045227887 562659425 /nfs/dbraw/zinc/65/94/25/562659425.db2.gz UBBASWZRWMTLAX-UHFFFAOYSA-N 1 0 512.053 6.210 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3nc4cc(O)ccc4[nH]3)CC2)CC1 ZINC000045228687 562659491 /nfs/dbraw/zinc/65/94/91/562659491.db2.gz UVMNBMQAHZNMSN-QHHAFSJGSA-N 1 0 527.496 6.097 1 0 KKAFRO O=C(/C=C/c1ccc(F)c(Br)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045230286 562659650 /nfs/dbraw/zinc/65/96/50/562659650.db2.gz WKYDCISPEYFOET-PKNBQFBNSA-N 1 0 512.467 6.249 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000045230206 562659654 /nfs/dbraw/zinc/65/96/54/562659654.db2.gz NTJSOYUWJIZESR-HSZRJFAPSA-N 1 0 523.621 5.281 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccc(F)cc3)c3n(c2=O)CCCC3)CC1 ZINC000045253546 562659852 /nfs/dbraw/zinc/65/98/52/562659852.db2.gz GLFGCJCRFFGZER-UHFFFAOYSA-N 1 0 528.672 5.602 1 0 KKAFRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Nc3cc[nH+]c4ccc(N)cc34)cc2)c1 ZINC000045260236 562660066 /nfs/dbraw/zinc/66/00/66/562660066.db2.gz MKHUGLZLKVCOGF-UHFFFAOYSA-N 1 0 505.626 6.996 1 0 in-vitro KKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2c[nH]c4ccccc42)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000045285805 562660132 /nfs/dbraw/zinc/66/01/32/562660132.db2.gz GUYJHASVHZWTMS-UGDMGKLASA-N 1 0 513.601 5.744 1 0 KKAFRO O=c1c(-c2ccccc2Cl)c2n(c(=O)n1CCCC[NH+]1CCC(c3c[nH]c4ccccc43)CC1)CCCC2 ZINC000045286009 562660191 /nfs/dbraw/zinc/66/01/91/562660191.db2.gz UUQZQIZSWPXUSA-UHFFFAOYSA-N 1 0 531.100 5.808 1 0 KKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000045302250 562660615 /nfs/dbraw/zinc/66/06/15/562660615.db2.gz VKQDNTPKFYDCPW-AWNIVKPZSA-N 1 0 504.568 6.173 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000045303018 562660716 /nfs/dbraw/zinc/66/07/16/562660716.db2.gz WYDJYWOGADOEGJ-HSZRJFAPSA-N 1 0 523.621 5.281 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000045302825 562660737 /nfs/dbraw/zinc/66/07/37/562660737.db2.gz SMAYZCZQKATJKP-MOAIHYDFSA-N 1 0 527.496 5.342 1 0 KKAFRO COc1ccccc1NC(=O)NC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045323417 562661170 /nfs/dbraw/zinc/66/11/70/562661170.db2.gz BZUWJDZAUOMGLF-ZRDIBKRKSA-N 1 0 533.500 5.588 1 0 KKAFRO O=C(/C=C/c1cc(C(F)(F)F)ccc1F)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045324927 562661215 /nfs/dbraw/zinc/66/12/15/562661215.db2.gz QNPKASZKZRXSKZ-VMPITWQZSA-N 1 0 513.579 6.457 1 0 KKAFRO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@H+](CCN2CCOc3c(Br)cccc3C2=O)CC1 ZINC000045335034 562661316 /nfs/dbraw/zinc/66/13/16/562661316.db2.gz ZOMSOXGKTBRFBH-UHFFFAOYSA-N 1 0 514.851 5.516 1 0 KKAFRO O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2nc(Cl)c(N3CCC[NH2+]CC3)cc2=O)c1 ZINC000045337814 562661417 /nfs/dbraw/zinc/66/14/17/562661417.db2.gz LIIQDIXVCNBPRH-UHFFFAOYSA-N 1 0 529.044 5.056 1 0 KKAFRO C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338441 562661473 /nfs/dbraw/zinc/66/14/73/562661473.db2.gz FZYZAZVPXUZVPL-BYCVKDJDSA-N 1 0 530.112 5.657 1 0 KKAFRO COc1cc(OC)cc([C@H](c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045358061 562661968 /nfs/dbraw/zinc/66/19/68/562661968.db2.gz RPLRXHLXRQIHHQ-UMSFTDKQSA-N 1 0 520.673 6.160 1 0 KKAFRO C[NH+]1CCC([C@H](c2ccc(Cl)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365034 562662044 /nfs/dbraw/zinc/66/20/44/562662044.db2.gz QUDJCWKOPXBSPH-YTTGMZPUSA-N 1 0 516.129 6.089 1 0 KKAFRO O=C(c1ccc(Cl)cc1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000048307245 562662893 /nfs/dbraw/zinc/66/28/93/562662893.db2.gz FXYIXDRALCQPTK-SSEXGKCCSA-N 1 0 557.949 7.284 1 0 KKAFRO C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000048307339 562663033 /nfs/dbraw/zinc/66/30/33/562663033.db2.gz BLZPLDNMGSLTPO-RZBOESAMSA-N 1 0 580.984 6.337 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)CN1c2ccccc2S(=O)(=O)N=C1CCc1cccc(F)c1F ZINC000048307367 562663019 /nfs/dbraw/zinc/66/30/19/562663019.db2.gz CCPGRQGQBNQBCG-UHFFFAOYSA-N 1 0 712.785 7.561 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(SCC[NH+]4CCN(C)CC4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000048307408 562663105 /nfs/dbraw/zinc/66/31/05/562663105.db2.gz AEJUGCKSWCWINC-GOSISDBHSA-N 1 0 556.157 5.319 1 0 KKAFRO Cn1c2ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2[nH+]c1NCc1cc(F)cc2c1OCOC2 ZINC000048308727 562663135 /nfs/dbraw/zinc/66/31/35/562663135.db2.gz RTWXCRSCPQVJST-UHFFFAOYSA-N 1 0 589.653 5.013 1 0 KKAFRO CCCC[C@@H]1CN(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998248 562663187 /nfs/dbraw/zinc/66/31/87/562663187.db2.gz IDEGMDBRNXENQR-AREMUKBSSA-N 1 0 539.765 5.372 1 0 KKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049845 562663755 /nfs/dbraw/zinc/66/37/55/562663755.db2.gz IHOVJSHWHKBKCL-SETSBSEESA-N 1 0 521.488 6.436 1 0 KKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054475 562663864 /nfs/dbraw/zinc/66/38/64/562663864.db2.gz VKEKQOWZBFVSMP-OFSOJUDTSA-N 1 0 520.595 6.148 1 0 KKAFRO Cc1ccccc1N1CCN(c2cc(=O)oc3ccc(C[NH+]4CCN(c5ccccc5C)CC4)cc32)CC1 ZINC000049573651 562664869 /nfs/dbraw/zinc/66/48/69/562664869.db2.gz VVCQZNQSNQDNJA-UHFFFAOYSA-N 1 0 508.666 5.059 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(Nc2nccc(-c3c4ccccn4nc3-c3cccc(NC(=O)c4c(F)cccc4F)c3)n2)cc1F ZINC000049604960 562665104 /nfs/dbraw/zinc/66/51/04/562665104.db2.gz MGAJFDXBBJDXDR-UHFFFAOYSA-N 1 0 665.720 7.982 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)ccc1I ZINC000049605016 562665210 /nfs/dbraw/zinc/66/52/10/562665210.db2.gz XRGRWUKOXJUFIL-UHFFFAOYSA-N 1 0 536.801 5.591 1 0 KKAFRO Cn1c2ccccc2c2c1CC[N@@H+](CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605011 562665245 /nfs/dbraw/zinc/66/52/45/562665245.db2.gz RJLGXVRLVXGYAW-YTTGMZPUSA-N 1 0 562.541 6.230 1 0 KKAFRO O=c1cc(NCCCN[C@H](C[NH2+]CCc2ccccc2)c2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605108 562665318 /nfs/dbraw/zinc/66/53/18/562665318.db2.gz PCSDQIHDKNLAEG-AREMUKBSSA-N 1 0 598.383 6.018 1 0 KKAFRO O=C(NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1)C1=CCCC1 ZINC000049605093 562665325 /nfs/dbraw/zinc/66/53/25/562665325.db2.gz UJDFHIVIRUREAQ-HSZRJFAPSA-N 1 0 588.344 5.413 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605096 562665364 /nfs/dbraw/zinc/66/53/64/562665364.db2.gz MRYZOUPPHRSBHL-NTUHNPAUSA-N 1 0 585.498 6.942 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000049605182 562665459 /nfs/dbraw/zinc/66/54/59/562665459.db2.gz XCSGMHOGUNQPBU-UHFFFAOYSA-N 1 0 570.612 5.178 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605171 562665462 /nfs/dbraw/zinc/66/54/62/562665462.db2.gz OYYMPUVUTLUQIO-WUXMJOGZSA-N 1 0 571.471 6.552 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605196 562665529 /nfs/dbraw/zinc/66/55/29/562665529.db2.gz OTFSAJHSVWRWKK-CSKARUKUSA-N 1 0 537.919 6.233 1 0 KKAFRO Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCc1ccncc1 ZINC000049605249 562665595 /nfs/dbraw/zinc/66/55/95/562665595.db2.gz QNUOEOFHDFSXSC-UHFFFAOYSA-N 1 0 625.213 7.573 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC1CCC([NH+]2CCC(c3c[nH]c4ccc(O)cc43)CC2)CC1 ZINC000049605269 562665613 /nfs/dbraw/zinc/66/56/13/562665613.db2.gz MXPBMCJHAOFJOO-ONNFQVAWSA-N 1 0 540.535 7.138 1 0 KKAFRO CCCC[NH+](CCCC)CCNC(=O)c1cccc(NC(=O)N2CCc3cc(SC)c(C(F)(F)F)cc32)c1 ZINC000049605411 562665837 /nfs/dbraw/zinc/66/58/37/562665837.db2.gz MDMZSABWOOONSP-UHFFFAOYSA-N 1 0 550.691 6.654 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc5ccccc5cc4[nH]3)c(F)c2)CC1 ZINC000049605470 562665885 /nfs/dbraw/zinc/66/58/85/562665885.db2.gz RFRSACOMWSZCDH-UHFFFAOYSA-N 1 0 572.084 6.126 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000049605454 562665936 /nfs/dbraw/zinc/66/59/36/562665936.db2.gz YNICKHGLSOFOOR-WYMLVPIESA-N 1 0 566.573 6.978 1 0 KKAFRO COc1ccc(C2CC[NH+](CCN3CCC(NC(=O)c4ccc(-c5cccc(C(F)(F)F)c5C(F)(F)F)cc4)CC3)CC2)c(OC)c1 ZINC000049605570 562666040 /nfs/dbraw/zinc/66/60/40/562666040.db2.gz GQURRQVCXYIXPI-UHFFFAOYSA-N 1 0 663.703 7.482 1 0 KKAFRO CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049605594 562666074 /nfs/dbraw/zinc/66/60/74/562666074.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 1 0 608.570 6.336 1 0 KKAFRO C[C@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]Cc3ccccc3)cc2)cc1)N(CCc1cccc(Cl)c1)C(=O)OC(C)(C)C ZINC000049605600 562666082 /nfs/dbraw/zinc/66/60/82/562666082.db2.gz HYHQHAJWOYYCOO-HHHXNRCGSA-N 1 0 612.214 8.293 1 0 KKAFRO O=C(Nc1ccccc1F)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605648 562666134 /nfs/dbraw/zinc/66/61/34/562666134.db2.gz BBFJSRCGOGJAQE-UHFFFAOYSA-N 1 0 554.695 6.560 1 0 KKAFRO O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605734 562666294 /nfs/dbraw/zinc/66/62/94/562666294.db2.gz UPECNCZLZOVUOM-ROJLCIKYSA-N 1 0 576.770 6.454 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605727 562666309 /nfs/dbraw/zinc/66/63/09/562666309.db2.gz FWOCVWATTUPVMG-UFYCRDLUSA-N 1 0 572.364 6.586 1 0 KKAFRO CCOC(=O)c1ccc(N2CC[NH+](CCCNC(=O)/C(=C/C=C/c3cc4cc(Cl)c(Cl)cc4[nH]3)OC)CC2)cc1 ZINC000049605818 562666360 /nfs/dbraw/zinc/66/63/60/562666360.db2.gz AOGTVONPIXRSQH-UWHRFUOESA-N 1 0 585.532 5.523 1 0 KKAFRO Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 ZINC000049614319 562666544 /nfs/dbraw/zinc/66/65/44/562666544.db2.gz KWNNFRFNOLSRJT-UMSFTDKQSA-O 1 0 676.819 6.118 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000049625507 562666766 /nfs/dbraw/zinc/66/67/66/562666766.db2.gz VRDUPMWPDXKROC-UHFFFAOYSA-N 1 0 601.138 8.132 1 0 KKAFRO C[C@@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)c3)c(=O)c2Cl)C[C@H](C)[NH2+]1 ZINC000049625659 562666813 /nfs/dbraw/zinc/66/68/13/562666813.db2.gz BAEPGMVUGRRLAR-OYRHEFFESA-N 1 0 543.071 5.443 1 0 KKAFRO COc1ccc([C@H]2CC[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c(OC)c1 ZINC000049625713 562666836 /nfs/dbraw/zinc/66/68/36/562666836.db2.gz YGZHXPNLNQZMNK-QHCPKHFHSA-N 1 0 536.072 5.609 1 0 KKAFRO O=C(CC1CCCC1)N(CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049625786 562666861 /nfs/dbraw/zinc/66/68/61/562666861.db2.gz ZSVFLFLTSOOISJ-UHFFFAOYSA-N 1 0 561.664 6.507 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049625917 562666878 /nfs/dbraw/zinc/66/68/78/562666878.db2.gz SXMQYKKLPXRIKQ-UHFFFAOYSA-N 1 0 651.251 7.835 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049625961 562666908 /nfs/dbraw/zinc/66/69/08/562666908.db2.gz RPYFPONCOKUOBA-KPKJPENVSA-N 1 0 555.016 6.037 1 0 KKAFRO CC[C@H]1C[N@H+](CCCC(=O)c2ccccc2)CC[C@H]1CCCc1ccnc2ccc(OC(=O)c3ccccc3)cc12 ZINC000049626003 562666929 /nfs/dbraw/zinc/66/69/29/562666929.db2.gz AGMXRNYKUDRUDW-WUFINQPMSA-N 1 0 548.727 7.788 1 0 KKAFRO Cc1nc(-c2ccc(-c3ccc(NC(=O)Nc4ccc(I)c(OCC[NH+](C)C)c4)cc3)c(C)c2)no1 ZINC000049625925 562666947 /nfs/dbraw/zinc/66/69/47/562666947.db2.gz SHTQAFIHFISRBZ-UHFFFAOYSA-N 1 0 597.457 6.209 1 0 KKAFRO CCCCCCNC(=O)[C@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000049626051 562667009 /nfs/dbraw/zinc/66/70/09/562667009.db2.gz QSNUEMGYDMCCEY-AREMUKBSSA-N 1 0 537.546 5.633 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCCC1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626181 562667049 /nfs/dbraw/zinc/66/70/49/562667049.db2.gz UYOYAWQYGOPBCL-WSGPNKEYSA-N 1 0 556.578 6.615 1 0 KKAFRO CC[NH2+]C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049626194 562667054 /nfs/dbraw/zinc/66/70/54/562667054.db2.gz SYOXYRXTKYAUDD-UHFFFAOYSA-N 1 0 676.730 7.563 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(C)c(-c4ccc(C(F)(F)F)cc4)c3)CC2)ccc2c1CCCC2 ZINC000049626174 562667082 /nfs/dbraw/zinc/66/70/82/562667082.db2.gz VCKTYLSSAWZBCT-UHFFFAOYSA-N 1 0 578.719 7.958 1 0 KKAFRO O=C(/C=C/c1cccc(Cl)c1)N1CC2(CC[NH+](C[C@H](O)C3CCN(C(=O)/C=C/c4cccc(Cl)c4)CC3)CC2)c2ccccc21 ZINC000049626289 562667127 /nfs/dbraw/zinc/66/71/27/562667127.db2.gz ZPDRTCQTMQVUEM-MNJHUCPYSA-N 1 0 644.643 6.700 1 0 KKAFRO Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc45)CC3)CC2)s1 ZINC000049626525 562667203 /nfs/dbraw/zinc/66/72/03/562667203.db2.gz STTPJAOIZAKJFB-UHFFFAOYSA-N 1 0 569.697 6.817 1 0 KKAFRO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(c(-c3ccc(F)cc3)c1)CC[N@H+](CC1CC1)CC2 ZINC000049626537 562667204 /nfs/dbraw/zinc/66/72/04/562667204.db2.gz AVWRJIXOQSKYLG-UHFFFAOYSA-N 1 0 576.133 7.369 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)N[C@H]3C[C@H]3c3ccccc3)cs2)cc1 ZINC000049626518 562667208 /nfs/dbraw/zinc/66/72/08/562667208.db2.gz WBHJKHQFAXZOKA-VMPREFPWSA-N 1 0 542.753 6.054 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049626637 562667279 /nfs/dbraw/zinc/66/72/79/562667279.db2.gz SOBNIOXHKGHHSS-VQHVLOKHSA-N 1 0 586.391 7.230 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCO)CCCC3)CC1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CO ZINC000049626703 562667294 /nfs/dbraw/zinc/66/72/94/562667294.db2.gz SLTNEXJZJQJFFE-UHFFFAOYSA-N 1 0 631.761 5.961 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049626685 562667332 /nfs/dbraw/zinc/66/73/32/562667332.db2.gz SJWUKHCSCHZFJM-DHIUTWEWSA-N 1 0 551.946 6.323 1 0 KKAFRO CCOc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(Cl)c1 ZINC000049626914 562667368 /nfs/dbraw/zinc/66/73/68/562667368.db2.gz YBISMSOWZUIHQY-UHFFFAOYSA-N 1 0 568.545 7.034 1 0 KKAFRO COc1cc(C(=O)N2CCO[C@@](CC[N@@H+]3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626820 562667429 /nfs/dbraw/zinc/66/74/29/562667429.db2.gz VKBOHUOLSFEMDO-UUWRZZSWSA-N 1 0 638.592 6.327 1 0 KKAFRO CC1(C)[C@@H]2C[C@H]1[C@H](CNc1nc(NCC(=O)Nc3ccc4ccccc4c3)nc(N3CCC([NH+]4CCCC4)CC3)n1)CC2 ZINC000049627032 562667507 /nfs/dbraw/zinc/66/75/07/562667507.db2.gz UNDGXHIXXWQLET-ZEZDXWPOSA-N 1 0 582.797 5.624 1 0 KKAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3cccs3)C(=O)O[C@@]21C ZINC000049637731 562667544 /nfs/dbraw/zinc/66/75/44/562667544.db2.gz MMLNSDHFMYYFIF-ZXICEDJXSA-N 1 0 706.943 5.236 1 0 KKAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049639182 562667659 /nfs/dbraw/zinc/66/76/59/562667659.db2.gz POSUVJWRTUDBQQ-UHFFFAOYSA-N 1 0 588.940 5.426 1 0 KKAFRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639161 562667679 /nfs/dbraw/zinc/66/76/79/562667679.db2.gz RRZNSSADTPDARM-XZOQPEGZSA-N 1 0 535.491 5.809 1 0 KKAFRO O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000049639704 562667782 /nfs/dbraw/zinc/66/77/82/562667782.db2.gz WZSXQVUTYDCZRO-UHFFFAOYSA-N 1 0 661.290 9.419 1 0 KKAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679563 562668933 /nfs/dbraw/zinc/66/89/33/562668933.db2.gz JOTYMLKDQAFRFK-VAVYLYDRSA-N 1 0 688.872 5.745 1 0 KKAFRO Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(N)cc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[C@H]([NH+](C)C)C3)c2F)c1 ZINC000049695499 562670654 /nfs/dbraw/zinc/67/06/54/562670654.db2.gz QBCOMEKKPNBIQB-QHCPKHFHSA-N 1 0 589.643 5.799 1 0 KKAFRO CCOP(=O)(OCC)[C@@H](NCCc1c[nH]c2ccccc12)c1ccc([C@@H](NCCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708918 562671132 /nfs/dbraw/zinc/67/11/32/562671132.db2.gz GCQPKRXHOAIDEP-TYHGNQNSSA-N 1 0 694.750 8.843 1 0 KKAFRO O=C(CCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049709476 562671321 /nfs/dbraw/zinc/67/13/21/562671321.db2.gz KNKJQCHFWAWCLO-RUZDIDTESA-N 1 0 572.196 5.863 1 0 KKAFRO O=C(OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049710109 562671548 /nfs/dbraw/zinc/67/15/48/562671548.db2.gz WYNIZCUIDXTOCU-HSZRJFAPSA-N 1 0 560.141 5.302 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710369 562671616 /nfs/dbraw/zinc/67/16/16/562671616.db2.gz ULUFTMCPJDOCPU-MJSOWUPRSA-N 1 0 613.224 5.145 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](CCO)CC1 ZINC000049710887 562671860 /nfs/dbraw/zinc/67/18/60/562671860.db2.gz HBSUMCXFBJWFIF-UHFFFAOYSA-N 1 0 703.752 7.236 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000049722742 562672420 /nfs/dbraw/zinc/67/24/20/562672420.db2.gz TVOYCNZPGKHXCR-OAQYLSRUSA-N 1 0 537.648 5.528 1 0 KKAFRO O=C(NCc1ccccc1)[C@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000049722739 562672431 /nfs/dbraw/zinc/67/24/31/562672431.db2.gz MUPCPQJMLASLLG-HHHXNRCGSA-N 1 0 543.509 5.252 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCCO)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722740 562672477 /nfs/dbraw/zinc/67/24/77/562672477.db2.gz CZKMIZVTUNGDNE-UHFFFAOYSA-N 1 0 608.745 7.402 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049722855 562672625 /nfs/dbraw/zinc/67/26/25/562672625.db2.gz XVZNRUGROMDFEO-RTWAWAEBSA-N 1 0 603.488 6.827 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049722874 562672655 /nfs/dbraw/zinc/67/26/55/562672655.db2.gz GHQAZOFJLBXOHF-UHFFFAOYSA-N 1 0 557.724 6.283 1 0 KKAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1ccc(SC(F)(F)F)cc1 ZINC000049723075 562672922 /nfs/dbraw/zinc/67/29/22/562672922.db2.gz XDXWFEOSPRBMSP-UHFFFAOYSA-N 1 0 553.010 5.001 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)/C=C/c5ccccc5Cl)CC4)CC3)c2c1 ZINC000049744881 562673514 /nfs/dbraw/zinc/67/35/14/562673514.db2.gz CTUJKVUYONJFEP-MDWZMJQESA-N 1 0 569.171 5.761 1 0 KKAFRO COc1ccc2[nH]cc(C3C[C@H]4CC[C@@H](C3)[N@H+]4CCC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000049745384 562673868 /nfs/dbraw/zinc/67/38/68/562673868.db2.gz GVGVVFDFEQBKTI-KSULOFDMSA-N 1 0 566.573 7.536 1 0 KKAFRO COc1ccc(C(=O)C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000049745910 562674133 /nfs/dbraw/zinc/67/41/33/562674133.db2.gz HNLBXFKIRYMXLC-UHFFFAOYSA-N 1 0 582.528 6.359 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1cccc2[nH]c4ccccc4c21)CCc1cc2c(cc1-3)OCO2 ZINC000049746322 562674396 /nfs/dbraw/zinc/67/43/96/562674396.db2.gz ODQXGYCKFSTMIR-UHFFFAOYSA-N 1 0 545.615 6.570 1 0 KKAFRO CS(=O)(=O)Nc1ccc2c(c1)[nH]cc2C1CC[NH+](CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049746729 562674573 /nfs/dbraw/zinc/67/45/73/562674573.db2.gz CPURYTULHDHXRE-XVNBXDOJSA-N 1 0 603.616 6.368 1 0 KKAFRO CC(=O)c1cccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000049746839 562674614 /nfs/dbraw/zinc/67/46/14/562674614.db2.gz MZUAXMSVXLUTKU-ZRDIBKRKSA-N 1 0 545.511 5.736 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000049756114 562674881 /nfs/dbraw/zinc/67/48/81/562674881.db2.gz CMIIQBKWBQTWKO-VZUCSPMQSA-N 1 0 591.023 6.897 1 0 KKAFRO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCCCC2)nn1 ZINC000049756610 562675102 /nfs/dbraw/zinc/67/51/02/562675102.db2.gz ICQNEYDWZJCYMM-SYBRLPANSA-N 1 0 611.684 7.347 1 0 KKAFRO CC[NH+](CC)CCOc1ccc([C@H]2c3ccccc3O[C@@H](c3ccc(OC(C)=O)cc3)[C@@H]2c2ccccc2)cc1 ZINC000049757154 562675637 /nfs/dbraw/zinc/67/56/37/562675637.db2.gz CTYDIRPKQWLTQI-XFQWPLCWSA-N 1 0 535.684 7.382 1 0 KKAFRO COc1cccc(CCNC(=O)c2ccc(OC3CC[NH+](CC(c4ccccc4)c4ccccc4)CC3)c(OC)c2)c1 ZINC000049762424 562676521 /nfs/dbraw/zinc/67/65/21/562676521.db2.gz GXLZJBXARDWULA-UHFFFAOYSA-N 1 0 564.726 6.352 1 0 KKAFRO NC(=[NH2+])Cc1c(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000049766989 562677312 /nfs/dbraw/zinc/67/73/12/562677312.db2.gz PYMDSMHRMYDTDG-UHFFFAOYSA-N 1 0 566.464 5.587 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049767502 562677557 /nfs/dbraw/zinc/67/75/57/562677557.db2.gz RGGYJEYZTPRESN-UHFFFAOYSA-N 1 0 559.667 5.863 1 0 KKAFRO CC(C)[NH+](CCOc1ccc([C@H]2c3ccccc3O[C@@H](c3ccc(O)cc3)[C@@H]2c2ccccc2)cc1)C(C)C ZINC000049767661 562677654 /nfs/dbraw/zinc/67/76/54/562677654.db2.gz ILPHLCAAQUEVAS-XFQWPLCWSA-N 1 0 521.701 7.939 1 0 KKAFRO OCCCCC[NH2+]C[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000049769897 562677896 /nfs/dbraw/zinc/67/78/96/562677896.db2.gz ODNXMCRXHMDJSU-MXPQMBJJSA-N 1 0 678.870 6.960 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774660 562678715 /nfs/dbraw/zinc/67/87/15/562678715.db2.gz VUFRFPUOFHXBBM-CCLHPLFOSA-N 1 0 534.527 5.857 1 0 KKAFRO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC000049775593 562679180 /nfs/dbraw/zinc/67/91/80/562679180.db2.gz LMZLCWZGOBCEDV-HSZRJFAPSA-N 1 0 533.628 5.222 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](CCCN2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1 ZINC000049777060 562679606 /nfs/dbraw/zinc/67/96/06/562679606.db2.gz FOXUTIZHAYSOSZ-HKBQPEDESA-N 1 0 600.804 5.027 1 0 KKAFRO CCn1ncc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000049777371 562679924 /nfs/dbraw/zinc/67/99/24/562679924.db2.gz VKXBGRGBSIALJG-BHBYDHKZSA-N 1 0 621.704 5.429 1 0 KKAFRO Oc1ccc(C[NH+](Cc2cccc(I)c2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049777569 562680236 /nfs/dbraw/zinc/68/02/36/562680236.db2.gz KAEVGKLVCMVJRS-UHFFFAOYSA-N 1 0 547.396 6.001 1 0 KKAFRO CCNc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 ZINC000049777684 562680397 /nfs/dbraw/zinc/68/03/97/562680397.db2.gz VHVPOXNMDWTTLR-DAANFHMWSA-N 1 0 539.715 5.057 1 0 KKAFRO O=C(CCC(=O)c1ccc2c3c(cccc31)CC2)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000049777666 562680402 /nfs/dbraw/zinc/68/04/02/562680402.db2.gz JBJIIGSTDJPMHR-UHFFFAOYSA-N 1 0 547.743 6.937 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3ccc(NC(=O)CC[NH+]4CCCCC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000049777961 562680744 /nfs/dbraw/zinc/68/07/44/562680744.db2.gz XGJSSOZECJIKFN-SFHVURJKSA-N 1 0 552.100 5.794 1 0 KKAFRO CCOc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 ZINC000049778085 562680890 /nfs/dbraw/zinc/68/08/90/562680890.db2.gz MZEIROPEHDVJSM-DAANFHMWSA-N 1 0 540.699 5.024 1 0 KKAFRO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c([C@@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778146 562680976 /nfs/dbraw/zinc/68/09/76/562680976.db2.gz ZPOHWIIFZLLEPQ-XIFFEERXSA-N 1 0 643.800 7.972 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)c3ccc(Cl)cc3)C2)C1 ZINC000049780141 562681407 /nfs/dbraw/zinc/68/14/07/562681407.db2.gz ZIYMZLIFVYQZGG-JSOSNVBQSA-N 1 0 641.178 7.324 1 0 KKAFRO O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049780195 562681462 /nfs/dbraw/zinc/68/14/62/562681462.db2.gz ZUFUIYOZVFSEPX-PZSMLTKBSA-N 1 0 542.723 6.714 1 0 KKAFRO COc1cc2c(cc1OCCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3cc(OC)c(OC)c(OC)c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049780282 562681593 /nfs/dbraw/zinc/68/15/93/562681593.db2.gz BUYHLDWXPSOEMW-LJAQVGFWSA-N 1 0 713.876 6.051 1 0 KKAFRO C[NH2+]C[C@@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049781190 562682774 /nfs/dbraw/zinc/68/27/74/562682774.db2.gz AUJWASLBKNLABL-JOCHJYFZSA-N 1 0 595.945 7.506 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4cc(C[NH+](C)C)ccc4C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784087 562683417 /nfs/dbraw/zinc/68/34/17/562683417.db2.gz KJAGZTFLBMDQQT-UHFFFAOYSA-N 1 0 569.713 7.794 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(C[NH2+]CCN4CCOCC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784106 562683447 /nfs/dbraw/zinc/68/34/47/562683447.db2.gz JPQQLLUZYXRSBP-UHFFFAOYSA-N 1 0 564.694 5.179 1 0 KKAFRO CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](CCSC)C(=O)OCC)[n+](Cc3ccccc3)cc21 ZINC000049784290 562683536 /nfs/dbraw/zinc/68/35/36/562683536.db2.gz MKVMYYQQGLNBRD-VWLOTQADSA-O 1 0 518.703 5.345 1 0 KKAFRO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Nc5ccccc5Cl)cc3)c4N)c2)CC1 ZINC000049793642 562685070 /nfs/dbraw/zinc/68/50/70/562685070.db2.gz FRBJLBMEOUWTOH-UHFFFAOYSA-N 1 0 553.070 5.695 1 0 KKAFRO S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC23CC4CC(CC(C4)C2)C3)C1=S ZINC000049793869 562685243 /nfs/dbraw/zinc/68/52/43/562685243.db2.gz YWMSOSPOLKIGPV-GUFIDOBTSA-N 1 0 732.120 7.594 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCCC5)c(OC)cc43)ccc2s1 ZINC000049803007 562685975 /nfs/dbraw/zinc/68/59/75/562685975.db2.gz TXBBKAYUKKTFCI-UHFFFAOYSA-N 1 0 506.628 5.638 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCCCC5)cc43)ccc2s1 ZINC000049803439 562686114 /nfs/dbraw/zinc/68/61/14/562686114.db2.gz CCERKNMFZXRODI-UHFFFAOYSA-N 1 0 520.655 6.028 1 0 KKAFRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CCN2C)cc1 ZINC000049832998 562687409 /nfs/dbraw/zinc/68/74/09/562687409.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 1 0 668.787 6.457 1 0 KKAFRO CC(C)c1ccc(CN(Cc2ccc(C(C)C)cc2)c2ccc(NC(=O)c3ccc(NCCNC(N)=[NH2+])c(-c4ccccc4)c3)cc2)cc1 ZINC000049833369 562687758 /nfs/dbraw/zinc/68/77/58/562687758.db2.gz LNUJBDRKHLYUCJ-UHFFFAOYSA-N 1 0 652.887 8.954 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1 ZINC000049872288 562689929 /nfs/dbraw/zinc/68/99/29/562689929.db2.gz PLSJRTWHSTXKHL-UHFFFAOYSA-N 1 0 540.639 5.417 1 0 KKAFRO O=C(Nc1cccc(SC(F)(F)F)c1)N1CCC([NH+]2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1 ZINC000049872345 562689953 /nfs/dbraw/zinc/68/99/53/562689953.db2.gz GIWVDIDTRYDGRF-UHFFFAOYSA-N 1 0 554.038 5.928 1 0 KKAFRO O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCC[NH+]3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000049872520 562690102 /nfs/dbraw/zinc/69/01/02/562690102.db2.gz VCILCSWAAWCHHY-UHFFFAOYSA-N 1 0 524.404 5.080 1 0 KKAFRO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H]([NH2+]CCNc5ccnc6cc(Cl)ccc65)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049889370 562692048 /nfs/dbraw/zinc/69/20/48/562692048.db2.gz KRNXBGIVMRDNEB-PANYSFOQSA-N 1 0 710.356 7.590 1 0 KKAFRO O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000049898379 562692498 /nfs/dbraw/zinc/69/24/98/562692498.db2.gz DYQHILNGKHLBCV-POURPWNDSA-N 1 0 641.621 6.079 1 0 KKAFRO COc1cc(N2CCC([N@@H+]3CC[C@@H](F)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049899482 562693160 /nfs/dbraw/zinc/69/31/60/562693160.db2.gz KTTFYLAOPGCPOV-HHHXNRCGSA-N 1 0 718.784 7.754 1 0 KKAFRO CC[N@@H+]1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908035 562693410 /nfs/dbraw/zinc/69/34/10/562693410.db2.gz BETUISKNIITDDN-JGCGQSQUSA-N 1 0 673.726 7.874 1 0 KKAFRO CC1(C)CCC(C)(C)c2c(O)c(C3CC[NH+](CCCCNC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)ccc21 ZINC000049908060 562693480 /nfs/dbraw/zinc/69/34/80/562693480.db2.gz KBPKSQCJXSEFQB-UHFFFAOYSA-N 1 0 573.221 8.451 1 0 KKAFRO O=C(NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917558 562693537 /nfs/dbraw/zinc/69/35/37/562693537.db2.gz DPBDEJSHFAVZAV-SFTDATJTSA-N 1 0 603.488 6.781 1 0 KKAFRO O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000049917599 562693633 /nfs/dbraw/zinc/69/36/33/562693633.db2.gz JONSCBPGWJVBSH-GOJCVTOHSA-N 1 0 670.766 6.108 1 0 KKAFRO CCc1c2cc(Br)ccc2[nH]c1C(=O)NC1CCC([NH+]2CCC(c3ccccc3OC)CC2)CC1 ZINC000049917671 562693724 /nfs/dbraw/zinc/69/37/24/562693724.db2.gz IAHPFPPYWYEEPT-UHFFFAOYSA-N 1 0 538.530 6.422 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c4ccccc4[nH]c3-c3ccccc3)CC2)CC1 ZINC000049917731 562693797 /nfs/dbraw/zinc/69/37/97/562693797.db2.gz AKNCNPZZPFPAFZ-ACCUITESSA-N 1 0 572.580 8.273 1 0 KKAFRO Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)Cc1cnc(C)cn1 ZINC000049917741 562693821 /nfs/dbraw/zinc/69/38/21/562693821.db2.gz GVNCBRLPIIFDQJ-UHFFFAOYSA-N 1 0 686.842 5.315 1 0 KKAFRO COC(=O)c1ccc(C(=O)NCCCC[NH+]2CCC(c3ccc4c(c3OC)CCCC4)CC2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000049917758 562693849 /nfs/dbraw/zinc/69/38/49/562693849.db2.gz CMEYZUFHVIKDPG-UHFFFAOYSA-N 1 0 622.728 7.436 1 0 KKAFRO CCOc1ccc(C(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049917771 562693900 /nfs/dbraw/zinc/69/39/00/562693900.db2.gz DGHVTGUWSIZXBN-JGCGQSQUSA-N 1 0 567.557 7.030 1 0 KKAFRO COc1ccc(CC(=O)N[C@@H](CCC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000049917817 562693947 /nfs/dbraw/zinc/69/39/47/562693947.db2.gz CSDJOEYMYKNHRU-NDEPHWFRSA-N 1 0 555.546 7.070 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049917809 562693968 /nfs/dbraw/zinc/69/39/68/562693968.db2.gz IGVIPNTVKMMVSN-PNIVXLCQSA-N 1 0 565.758 5.320 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@@H](NC(=O)/C=C/c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049917847 562693992 /nfs/dbraw/zinc/69/39/92/562693992.db2.gz CZLTVXNYOSUZAA-FUCFDFLFSA-N 1 0 598.596 6.068 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCCc2cccc(F)c2F)c(=O)c2ccccc21 ZINC000049917867 562694050 /nfs/dbraw/zinc/69/40/50/562694050.db2.gz VKAMYOORSPTUCM-UHFFFAOYSA-N 1 0 689.769 8.511 1 0 KKAFRO CC[NH+](CC)CCCNc1nccc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)n1 ZINC000049917882 562694052 /nfs/dbraw/zinc/69/40/52/562694052.db2.gz MGEGFAPPWLMROB-UHFFFAOYSA-N 1 0 591.135 6.088 1 0 KKAFRO O=C(NCC[NH+]1CCC(c2ccncc2)CC1)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000049917946 562694185 /nfs/dbraw/zinc/69/41/85/562694185.db2.gz DNFFEPBRCVRCNW-UHFFFAOYSA-N 1 0 585.712 6.761 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000049917939 562694218 /nfs/dbraw/zinc/69/42/18/562694218.db2.gz OVOQKPVGHPMAAO-NRFANRHFSA-N 1 0 531.600 5.148 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCC1CCCCC1 ZINC000049918085 562694435 /nfs/dbraw/zinc/69/44/35/562694435.db2.gz TUXMBWRQVZPMCK-UHFFFAOYSA-N 1 0 646.798 7.966 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3ccnc3)C(=O)[C@@H]3COc4ccccc4O3)cs2)cc1 ZINC000049918140 562694473 /nfs/dbraw/zinc/69/44/73/562694473.db2.gz XBRJRQXGAQVGAQ-NDEPHWFRSA-N 1 0 545.709 5.155 1 0 KKAFRO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[NH+](CCCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918150 562694495 /nfs/dbraw/zinc/69/44/95/562694495.db2.gz LECRWSOBKXDJBO-WYMLVPIESA-N 1 0 584.548 6.496 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC[C@@H](NC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918199 562694619 /nfs/dbraw/zinc/69/46/19/562694619.db2.gz OUIYXSOGPADYFB-GDLZYMKVSA-N 1 0 657.639 7.570 1 0 KKAFRO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000049938426 562695295 /nfs/dbraw/zinc/69/52/95/562695295.db2.gz DUTXSEWRTZPJLR-SHXLRKJTSA-N 1 0 691.889 5.986 1 0 KKAFRO CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H]([NH2+]Cc5cc(F)cc(F)c5)C(C)(C)[C@@H]4CC[C@@]32C)C(=O)O1 ZINC000052955865 562695957 /nfs/dbraw/zinc/69/59/57/562695957.db2.gz NVKMWWXPYRYPPV-MCUMUYCUSA-N 1 0 583.804 7.731 1 0 KKAFRO CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(N3CCN(c4cc[nH+]cc4)CC3)cc2)C1=O ZINC000053113089 562696231 /nfs/dbraw/zinc/69/62/31/562696231.db2.gz VLIFIGMDNURHMV-UMSFTDKQSA-N 1 0 601.755 5.735 1 0 KKAFRO Cc1nc(Nc2nccn2-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230348 562696684 /nfs/dbraw/zinc/69/66/84/562696684.db2.gz HWOFUQCIZZVQMK-UHFFFAOYSA-N 1 0 566.588 5.182 1 0 KKAFRO C[NH+]1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053294808 562697277 /nfs/dbraw/zinc/69/72/77/562697277.db2.gz DYHGXVWUXCUFSP-UHFFFAOYSA-N 1 0 578.521 5.819 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000053294364 562697294 /nfs/dbraw/zinc/69/72/94/562697294.db2.gz MERHBTZUAONODB-MHZLTWQESA-N 1 0 602.584 5.008 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3nccc(-c4c5ccccn5nc4-c4cccc(NC(=O)c5c(F)cccc5F)c4)n3)cc2)CC1 ZINC000055779993 562697797 /nfs/dbraw/zinc/69/77/97/562697797.db2.gz BDJMJVCQVXQIKX-UHFFFAOYSA-N 1 0 616.676 6.484 1 0 KKAFRO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058482407 562698018 /nfs/dbraw/zinc/69/80/18/562698018.db2.gz XOQWEZVGZTXXBC-KHZGDVNHSA-N 1 0 531.737 5.287 1 0 KKAFRO CC[C@](C)(CC[NH+]1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000058506811 562698340 /nfs/dbraw/zinc/69/83/40/562698340.db2.gz SYSNHJYXRAUBPE-MUUNZHRXSA-N 1 0 501.662 5.737 1 0 KKAFRO CCOc1ccc(-c2ccc(C(=O)N[C@@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000058508739 562698413 /nfs/dbraw/zinc/69/84/13/562698413.db2.gz VMQAFJPSEXTGNA-KKRYXQMISA-N 1 0 561.682 5.880 1 0 KKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1-c1ccccc1 ZINC000058540822 562698939 /nfs/dbraw/zinc/69/89/39/562698939.db2.gz ASMLMEYIAIQETR-UHFFFAOYSA-N 1 0 513.513 6.122 1 0 KKAFRO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000058554957 562699266 /nfs/dbraw/zinc/69/92/66/562699266.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 1 0 668.787 6.457 1 0 KKAFRO O=C(CCC[NH2+]Cc1c(Cl)cccc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058568544 562699488 /nfs/dbraw/zinc/69/94/88/562699488.db2.gz SXZPHXWUKCRLIY-NDEPHWFRSA-N 1 0 530.927 6.450 1 0 KKAFRO CC(=O)Nc1cccc(N2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583337 562700094 /nfs/dbraw/zinc/70/00/94/562700094.db2.gz PBVBPXGSZSMYCO-UHFFFAOYSA-N 1 0 503.050 5.262 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000058583581 562700105 /nfs/dbraw/zinc/70/01/05/562700105.db2.gz CJMPRNGIJURBAZ-UHFFFAOYSA-N 1 0 565.640 6.623 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000058590919 562700371 /nfs/dbraw/zinc/70/03/71/562700371.db2.gz GMGCMYUGTUXMIL-UHFFFAOYSA-N 1 0 545.709 5.069 1 0 KKAFRO O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)N[C@@H]1CCCc2cc(C3(C[NH+]4CCCCC4)CC3)ccc21 ZINC000058594241 562700673 /nfs/dbraw/zinc/70/06/73/562700673.db2.gz XVKFTKTYQSDOGT-ROJLCIKYSA-N 1 0 639.784 6.826 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2c(Cl)cccc2Cl)C3)cc1 ZINC000058639016 562701207 /nfs/dbraw/zinc/70/12/07/562701207.db2.gz LQYPBKQMDVWUGO-UHFFFAOYSA-N 1 0 515.445 5.824 1 0 in-vitro KKAFRO [NH3+]CCCCCOC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCCc2cc3ccccc3[nH]2)O1 ZINC000058669802 562701469 /nfs/dbraw/zinc/70/14/69/562701469.db2.gz FRAXZZCXXRETTJ-IIRNBEKSSA-N 1 0 572.746 6.158 1 0 KKAFRO COCCOc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031010 562701584 /nfs/dbraw/zinc/70/15/84/562701584.db2.gz PNMPIKWWBRRSSD-HHHXNRCGSA-N 1 0 594.579 8.045 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(N(C)C(C)=O)c2)ccc1OC(C)C ZINC000059375781 562702018 /nfs/dbraw/zinc/70/20/18/562702018.db2.gz LCUIJLFLRNXHCD-SSEXGKCCSA-N 1 0 555.679 5.455 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(OC4CC[NH2+]CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000059716238 562702181 /nfs/dbraw/zinc/70/21/81/562702181.db2.gz SLGRRBVHGIPHNQ-OAHLLOKOSA-N 1 0 530.572 5.476 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895955 562702918 /nfs/dbraw/zinc/70/29/18/562702918.db2.gz VTZGCABMMZRTAE-GDLZYMKVSA-N 1 0 513.041 6.040 3 0 KKAFRO O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061903071 562702960 /nfs/dbraw/zinc/70/29/60/562702960.db2.gz ZDZJTQJMGWRFBP-GDLZYMKVSA-N 1 0 518.032 6.024 3 0 KKAFRO COc1ccc(/C=C/C[NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904316 562702981 /nfs/dbraw/zinc/70/29/81/562702981.db2.gz FSGLJBPFKQQGAQ-LQOJHXMCSA-N 1 0 509.625 6.014 3 0 KKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061904000 562702983 /nfs/dbraw/zinc/70/29/83/562702983.db2.gz QOJZVIWTELKIOI-SSEXGKCCSA-N 1 0 513.613 5.379 3 0 KKAFRO COc1ccc(N2c3ccccc3C[N@@H+](Cc3ccccc3)C[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921052 562703115 /nfs/dbraw/zinc/70/31/15/562703115.db2.gz ZZOLLJSJHAOYSU-MUUNZHRXSA-N 1 0 524.661 6.486 3 0 KKAFRO COc1ccccc1[C@@H](NC(=O)C1CC[NH+](CCc2ccc(Br)cc2)CC1)c1ccccn1 ZINC000061925968 562703605 /nfs/dbraw/zinc/70/36/05/562703605.db2.gz TTXOQYWJSDKOOH-AREMUKBSSA-N 1 0 508.460 5.013 3 0 KKAFRO Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(CN5CC[NH+](C)CC5)cc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064437127 562705250 /nfs/dbraw/zinc/70/52/50/562705250.db2.gz ATQDMZRXTGWPPT-UHFFFAOYSA-N 1 0 574.007 5.824 1 0 KKAFRO CC[C@H](C)C[C@H](NC(=O)[C@@H](NC[C@@H](O)[C@@H]([NH3+])CCCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)NCCCc1ccccc1 ZINC000064437242 562705256 /nfs/dbraw/zinc/70/52/56/562705256.db2.gz BTJIOQIVSIPVBA-GUKRFWIHSA-N 1 0 628.902 5.649 1 0 KKAFRO CCCCn1c2ccccc2c2cc(CNCC[NH+](CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447253 562705339 /nfs/dbraw/zinc/70/53/39/562705339.db2.gz RKMALPULVSQSRW-UHFFFAOYSA-N 1 0 518.702 6.114 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447410 562705390 /nfs/dbraw/zinc/70/53/90/562705390.db2.gz ULFBVDCNWCBUQT-UAUZOSSZSA-N 1 0 606.774 7.470 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2c1cc(F)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448388 562705478 /nfs/dbraw/zinc/70/54/78/562705478.db2.gz TUDBQXAJQWDULL-PTLVVNQVSA-N 1 0 515.596 5.948 1 0 KKAFRO Cc1cc2ncn(CC[NH+](CCn3cnc4cc(C)c(C)cc43)Cc3ccc(Cl)cc3Cl)c2cc1C ZINC000064527661 562707062 /nfs/dbraw/zinc/70/70/62/562707062.db2.gz DVIJIHGAZPRIGU-UHFFFAOYSA-N 1 0 520.508 7.129 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2nnco2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064527767 562707155 /nfs/dbraw/zinc/70/71/55/562707155.db2.gz OJUNTGQGOBJANH-ZWEKWIFMSA-N 1 0 611.177 7.149 1 0 KKAFRO COC(=O)Cc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064548444 562707854 /nfs/dbraw/zinc/70/78/54/562707854.db2.gz COEFPCKSMNXHEU-HHHXNRCGSA-N 1 0 592.563 7.736 1 0 KKAFRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)OC2CC(C)(C)[NH2+]C(C)(C)C2)CN3c2ccccc2)cc1 ZINC000066058928 562709215 /nfs/dbraw/zinc/70/92/15/562709215.db2.gz FCPFLYPSHXYJIO-UHFFFAOYSA-N 1 0 588.793 5.118 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066440 562709378 /nfs/dbraw/zinc/70/93/78/562709378.db2.gz ZYQUJIGXLRKQQU-IEWVHIKDSA-N 1 0 599.002 6.691 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073654 562709496 /nfs/dbraw/zinc/70/94/96/562709496.db2.gz NUISDCKIKSBXQV-XYFQYJLHSA-N 1 0 599.002 6.691 1 0 KKAFRO CSc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073707 562709563 /nfs/dbraw/zinc/70/95/63/562709563.db2.gz WKAVKEJZJBPTLN-SYBRLPANSA-N 1 0 610.651 6.759 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccccc2)nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)n1 ZINC000066077295 562710290 /nfs/dbraw/zinc/71/02/90/562710290.db2.gz KASDFPKTJBBKGT-UHFFFAOYSA-N 1 0 554.102 7.058 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000066099419 562711100 /nfs/dbraw/zinc/71/11/00/562711100.db2.gz NJEMEONEYOQVJD-JGMOMGQESA-N 1 0 508.544 5.715 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 ZINC000066099945 562711213 /nfs/dbraw/zinc/71/12/13/562711213.db2.gz ZJUHRABFWFINOC-XYFQYJLHSA-N 1 0 582.547 6.176 1 0 KKAFRO CC[NH+](CC)CCc1cccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)c1 ZINC000066104156 562711676 /nfs/dbraw/zinc/71/16/76/562711676.db2.gz NLYQLZRTNURPGL-QIXIFPRPSA-N 1 0 574.674 5.110 1 0 KKAFRO O=C(CC[NH+]1CCC(c2nc(-c3ccncc3)no2)CC1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066104371 562711707 /nfs/dbraw/zinc/71/17/07/562711707.db2.gz HOQHCHFWEDZFJN-QFIPXVFZSA-N 1 0 540.455 5.248 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000066104585 562711746 /nfs/dbraw/zinc/71/17/46/562711746.db2.gz KUCOHCRXHSTSOZ-UHFFFAOYSA-N 1 0 567.699 6.732 1 0 KKAFRO [NH3+]Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066112762 562712112 /nfs/dbraw/zinc/71/21/12/562712112.db2.gz USXXPFFCBBHACO-IBGZPJMESA-N 1 0 524.543 5.444 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066165849 562714017 /nfs/dbraw/zinc/71/40/17/562714017.db2.gz IYHPIUZHKVLRCJ-ZRLASMASSA-N 1 0 541.692 5.054 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccs2)=[NH+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000066167240 562714332 /nfs/dbraw/zinc/71/43/32/562714332.db2.gz WNWHHBLGODVYBJ-XMMPIXPASA-N 1 0 513.585 5.959 1 0 KKAFRO Cc1ccc(C(CCC[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(C)cc2)cc1 ZINC000066251724 562714537 /nfs/dbraw/zinc/71/45/37/562714537.db2.gz ABUFKTCKXYEFDP-UHFFFAOYSA-N 1 0 516.047 7.871 1 0 KKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066252750 562714865 /nfs/dbraw/zinc/71/48/65/562714865.db2.gz QBWLTDPVSJCLIE-UHFFFAOYSA-N 1 0 538.000 7.923 1 0 KKAFRO CC[NH+](CC)Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000066259822 562715357 /nfs/dbraw/zinc/71/53/57/562715357.db2.gz QQOHHVBBSPVBNM-UHFFFAOYSA-N 1 0 513.729 5.794 1 0 KKAFRO COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(C[NH2+]Cc4ccoc4)cc3)n2)C2CCCC2)cc1 ZINC000066259825 562715363 /nfs/dbraw/zinc/71/53/63/562715363.db2.gz IJLFSDUMPYNLFI-UHFFFAOYSA-N 1 0 537.707 5.835 1 0 KKAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000068087551 562715770 /nfs/dbraw/zinc/71/57/70/562715770.db2.gz HGMNTONUIRWZDC-LHEWISCISA-N 1 0 654.775 5.305 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000068246015 562716119 /nfs/dbraw/zinc/71/61/19/562716119.db2.gz GJFJLQXYFZSVOD-UHFFFAOYSA-N 1 0 536.636 6.129 1 0 in-vitro KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631593 562716449 /nfs/dbraw/zinc/71/64/49/562716449.db2.gz AKSPVPSPCDRFDG-RJRADHEHSA-N 1 0 519.730 5.189 1 0 KKAFRO CCc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071280569 562716564 /nfs/dbraw/zinc/71/65/64/562716564.db2.gz CUMDMOOQNRMOBT-BETPUDKTSA-N 1 0 546.759 7.031 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)c(C(F)(F)F)c1)CCc1cc2c(cc1-3)OCO2 ZINC000071296412 562717505 /nfs/dbraw/zinc/71/75/05/562717505.db2.gz DKDAQDMJKXCQRC-UHFFFAOYSA-N 1 0 512.435 5.465 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296447 562717535 /nfs/dbraw/zinc/71/75/35/562717535.db2.gz OMQIHQKBNCOMND-XBBWARJSSA-N 1 0 592.489 7.158 1 0 KKAFRO CCC[N@@H+]1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296833 562717599 /nfs/dbraw/zinc/71/75/99/562717599.db2.gz CRNOHPGCPLJAOD-GFUPRDBPSA-N 1 0 503.771 7.454 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296987 562717711 /nfs/dbraw/zinc/71/77/11/562717711.db2.gz GXZNBYLIQYWZLV-BKMJKUGQSA-N 1 0 509.046 5.653 1 0 KKAFRO Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000071297140 562717748 /nfs/dbraw/zinc/71/77/48/562717748.db2.gz OWRSMOOCLOGSNK-RUZDIDTESA-N 1 0 501.070 7.242 1 0 KKAFRO Cc1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071317021 562718077 /nfs/dbraw/zinc/71/80/77/562718077.db2.gz KIXBJYUJUOHEKG-PPHZAIPVSA-N 1 0 595.493 7.151 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071317084 562718083 /nfs/dbraw/zinc/71/80/83/562718083.db2.gz LLWKBGRAWPNWFD-WIOPSUGQSA-N 1 0 520.073 6.133 1 0 KKAFRO Cc1ccnc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071317449 562718205 /nfs/dbraw/zinc/71/82/05/562718205.db2.gz BVAMORINWXWHBN-XHCCPWGMSA-N 1 0 606.392 6.895 1 0 KKAFRO Cc1cccnc1O[C@@H](c1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071319244 562718742 /nfs/dbraw/zinc/71/87/42/562718742.db2.gz PCRDJCMCFNPFTE-BCHFMIIMSA-N 1 0 595.493 7.151 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071329657 562718971 /nfs/dbraw/zinc/71/89/71/562718971.db2.gz SPZVGUOPAIQFIW-XUZZJYLKSA-N 1 0 506.046 5.743 1 0 KKAFRO COc1ccc(CC[N@@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000071329685 562718979 /nfs/dbraw/zinc/71/89/79/562718979.db2.gz MSCPVCCJMDVFEH-DHLKQENFSA-N 1 0 509.046 5.054 1 0 KKAFRO Cc1cccc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071330055 562719057 /nfs/dbraw/zinc/71/90/57/562719057.db2.gz YJMPQXVFNAVTQP-UZTOHYMASA-N 1 0 606.392 6.895 1 0 KKAFRO Cc1ccnc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 ZINC000071330083 562719069 /nfs/dbraw/zinc/71/90/69/562719069.db2.gz RUEHTYDIJMMJEX-PPHZAIPVSA-N 1 0 595.493 7.151 1 0 KKAFRO Cc1ccc(O[C@H](c2ccc(Br)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 ZINC000071330541 562719150 /nfs/dbraw/zinc/71/91/50/562719150.db2.gz RNFWJVYCNCVOTK-UZTOHYMASA-N 1 0 606.392 6.895 1 0 KKAFRO Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(-c5cncnc5)cc4)CC[NH2+]C3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071334234 562719524 /nfs/dbraw/zinc/71/95/24/562719524.db2.gz FTWZBLGJBOTITA-BHVANESWSA-N 1 0 599.739 5.846 1 0 KKAFRO C[C@H]1C=C(CCCCCCCCC[NH2+]CCNC[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071335147 562719681 /nfs/dbraw/zinc/71/96/81/562719681.db2.gz MMIAMAPNSXHRDA-PNIUZAESSA-N 1 0 520.755 5.121 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072104279 562720442 /nfs/dbraw/zinc/72/04/42/562720442.db2.gz LYMUYLCMDRKWKZ-YZZMFXRHSA-N 1 0 601.791 7.002 3 0 KKAFRO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104696 562720561 /nfs/dbraw/zinc/72/05/61/562720561.db2.gz UJPBDGGSRHPSDU-UHFFFAOYSA-N 1 0 514.501 5.382 1 0 KKAFRO Cc1c(Cl)cccc1N1CC[NH+](CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2Cn2cncn2)CC1 ZINC000072105036 562720642 /nfs/dbraw/zinc/72/06/42/562720642.db2.gz YMAOGAGJBIXOCM-UHFFFAOYSA-N 1 0 595.151 5.083 1 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[n+]1cn(Cc2ccc(Cl)cc2Cl)cn1 ZINC000072106639 562721104 /nfs/dbraw/zinc/72/11/04/562721104.db2.gz ZJIHQFNJDFINKU-UHFFFAOYSA-N 1 0 545.244 5.128 1 0 KKAFRO CCN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110104 562721722 /nfs/dbraw/zinc/72/17/22/562721722.db2.gz TZEYDLFBHODDKD-GKRYNVPLSA-N 1 0 628.248 7.293 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@@H](O)C2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072111001 562721878 /nfs/dbraw/zinc/72/18/78/562721878.db2.gz WJOOVZMVFYNXBU-LRJWDFOKSA-N 1 0 656.258 6.408 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113402 562722340 /nfs/dbraw/zinc/72/23/40/562722340.db2.gz AMSJSZPDCWXZJX-RYWJELEGSA-N 1 0 504.719 5.904 1 0 KKAFRO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)OCC[NH+](C)C)c(OC(C)C)c1 ZINC000072114292 562722689 /nfs/dbraw/zinc/72/26/89/562722689.db2.gz UNDGFWXBHFJPGJ-IZLXSDGUSA-N 1 0 570.517 7.032 1 0 KKAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118056 562723391 /nfs/dbraw/zinc/72/33/91/562723391.db2.gz JLJBKTJUXXMOSG-MHZLTWQESA-N 1 0 594.559 7.752 1 0 KKAFRO CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CC[NH3+])cc2)n1 ZINC000072118166 562723441 /nfs/dbraw/zinc/72/34/41/562723441.db2.gz MYEIKWHKVVCIES-UHFFFAOYSA-N 1 0 549.597 5.581 1 0 KKAFRO CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CC[NH3+])cc2)n1 ZINC000072118400 562723496 /nfs/dbraw/zinc/72/34/96/562723496.db2.gz PTYHYMCDJLJYLH-UHFFFAOYSA-N 1 0 535.570 5.191 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072120607 562724084 /nfs/dbraw/zinc/72/40/84/562724084.db2.gz IYJRQNXFGXVMAT-QRIZJJBVSA-N 1 0 704.022 6.326 3 0 KKAFRO O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072122107 562724409 /nfs/dbraw/zinc/72/44/09/562724409.db2.gz CVNUDPVQPWCUGZ-BHYWQNONSA-N 1 0 649.760 7.693 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123629 562724769 /nfs/dbraw/zinc/72/47/69/562724769.db2.gz GNXSWEKHDYCYOO-NLGDKJDOSA-N 1 0 633.447 7.344 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123704 562724853 /nfs/dbraw/zinc/72/48/53/562724853.db2.gz NFGNNHZUGBVANR-SPWOZAQASA-N 1 0 720.021 6.031 3 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123721 562724893 /nfs/dbraw/zinc/72/48/93/562724893.db2.gz MEAVCUVGGFTUOL-OFKCIZEBSA-N 1 0 659.728 7.501 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072127637 562725707 /nfs/dbraw/zinc/72/57/07/562725707.db2.gz WZRJGOIAGUHCGN-BCRFLOQVSA-N 1 0 653.529 7.008 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127659 562725741 /nfs/dbraw/zinc/72/57/41/562725741.db2.gz KDYSWVIVVGBOTF-KWRMZWAXSA-N 1 0 686.004 5.835 3 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127733 562725879 /nfs/dbraw/zinc/72/58/79/562725879.db2.gz IXGXEPVYDMHUEI-HQPLKVBUSA-N 1 0 742.068 6.465 3 0 KKAFRO CCCCNC(=O)[C@@H](C1CCCCC1)N(CC[NH+](C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127740 562725911 /nfs/dbraw/zinc/72/59/11/562725911.db2.gz HUJIOOUZBZWSBP-ACEXITHZSA-N 1 0 749.997 7.473 3 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000072129845 562726465 /nfs/dbraw/zinc/72/64/65/562726465.db2.gz UWECJOYEFRYCLM-QLXKLKPCSA-N 1 0 631.910 7.376 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129849 562726501 /nfs/dbraw/zinc/72/65/01/562726501.db2.gz ALRLDFZCRHXLMW-ULJKERAFSA-N 1 0 680.702 6.731 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134197 562727274 /nfs/dbraw/zinc/72/72/74/562727274.db2.gz UHQCOWSGJCJWSA-BQYLNSIHSA-N 1 0 712.042 6.369 3 0 KKAFRO CCc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000072134826 562727349 /nfs/dbraw/zinc/72/73/49/562727349.db2.gz QCPKDNFHSPNEEC-UHFFFAOYSA-N 1 0 537.733 6.142 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134885 562727391 /nfs/dbraw/zinc/72/73/91/562727391.db2.gz GSEAIWAWPQWVOK-ZYADHFCISA-N 1 0 730.057 6.233 3 0 KKAFRO CC(C)NC(=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 ZINC000072135053 562727482 /nfs/dbraw/zinc/72/74/82/562727482.db2.gz NKJVEESZKXXZFT-TXHDDHBJSA-N 1 0 650.783 6.163 3 0 KKAFRO O=C1[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000072136884 562728197 /nfs/dbraw/zinc/72/81/97/562728197.db2.gz JCNKOMGLEKUJCE-VIDGLSEISA-N 1 0 582.022 5.366 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137487 562728219 /nfs/dbraw/zinc/72/82/19/562728219.db2.gz RZTCCTLWYPHIEV-WISKXVKBSA-N 1 0 676.053 6.857 3 0 KKAFRO O=C(N[C@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137567 562728331 /nfs/dbraw/zinc/72/83/31/562728331.db2.gz KJMXSWBTEKEAHU-SANMLTNESA-N 1 0 528.436 5.114 3 0 KKAFRO O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC([NH+]4CCCCC4)CC3)cc1S2(=O)=O ZINC000072137740 562728375 /nfs/dbraw/zinc/72/83/75/562728375.db2.gz QYWMDGVCAOOYAT-UHFFFAOYSA-N 1 0 646.131 6.121 3 0 KKAFRO O=C(N[C@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137885 562728483 /nfs/dbraw/zinc/72/84/83/562728483.db2.gz FUYRUIZKDAQTBJ-AREMUKBSSA-N 1 0 528.436 5.114 3 0 KKAFRO O=C(N[C@@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137886 562728491 /nfs/dbraw/zinc/72/84/91/562728491.db2.gz FUYRUIZKDAQTBJ-SANMLTNESA-N 1 0 528.436 5.114 3 0 KKAFRO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072138378 562728778 /nfs/dbraw/zinc/72/87/78/562728778.db2.gz SGXJPGOGXFONHH-GDLZYMKVSA-N 1 0 530.594 6.280 3 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072141378 562729362 /nfs/dbraw/zinc/72/93/62/562729362.db2.gz ANYWDFUJODKORF-RXCFDRAVSA-N 1 0 533.761 5.173 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072142382 562729516 /nfs/dbraw/zinc/72/95/16/562729516.db2.gz GFQKDUOYURHVMT-ZRLASMASSA-N 1 0 543.683 5.474 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147620 562729725 /nfs/dbraw/zinc/72/97/25/562729725.db2.gz XRZNDNRJEXKCKQ-WDYNHAJCSA-N 1 0 677.069 6.510 1 0 KKAFRO COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1 ZINC000072148930 562729983 /nfs/dbraw/zinc/72/99/83/562729983.db2.gz KHSXQDCDBJMHDO-SXOMAYOGSA-N 1 0 699.582 7.246 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000072151430 562730108 /nfs/dbraw/zinc/73/01/08/562730108.db2.gz MWIOXPKQVFBCTI-NOCHOARKSA-N 1 0 648.848 6.621 1 0 KKAFRO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCN(c3ccccc3)CC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000072151429 562730122 /nfs/dbraw/zinc/73/01/22/562730122.db2.gz MWIOXPKQVFBCTI-SZAHLOSFSA-N 1 0 648.848 6.621 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072162121 562730195 /nfs/dbraw/zinc/73/01/95/562730195.db2.gz MGGHUDXSRZOVRJ-ZVBBVAIHSA-N 1 0 715.147 7.385 1 0 KKAFRO COc1cc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCC[NH+](C)C ZINC000072172350 562730737 /nfs/dbraw/zinc/73/07/37/562730737.db2.gz CNWRBESNMYPGNX-UHFFFAOYSA-N 1 0 536.625 5.127 1 0 KKAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173159 562730824 /nfs/dbraw/zinc/73/08/24/562730824.db2.gz LREBZSFQVNJDOZ-KSXZBKJASA-N 1 0 547.696 5.251 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180648 562732551 /nfs/dbraw/zinc/73/25/51/562732551.db2.gz DWRSFLPJFKITBF-MRXNPFEDSA-N 1 0 517.432 5.742 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl ZINC000072183500 562732966 /nfs/dbraw/zinc/73/29/66/562732966.db2.gz WONIGLPPCGGIDN-XMSQKQJNSA-N 1 0 541.042 6.103 1 0 KKAFRO COc1cc2c(cc1OCCCCN1CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317213 562733157 /nfs/dbraw/zinc/73/31/57/562733157.db2.gz OIZRASSZMCQBRV-NDEPHWFRSA-N 1 0 607.799 6.381 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2cccnc23)cc1 ZINC000072317812 562733232 /nfs/dbraw/zinc/73/32/32/562733232.db2.gz LKCGVBONYVRCLD-QFIPXVFZSA-N 1 0 509.355 6.898 1 0 KKAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1ccc(-c3cccc(C[NH+]4Cc5ccccc5C4)c3)cc1)ccc2[O-] ZINC000073197707 562735434 /nfs/dbraw/zinc/73/54/34/562735434.db2.gz XYMOHROKZRXUHD-LJAQVGFWSA-N 1 0 537.685 5.344 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccc(Cl)cc2)c2ccc(Br)cc2)CC1 ZINC000073198194 562735634 /nfs/dbraw/zinc/73/56/34/562735634.db2.gz NXCBLDPRJDFZIB-IBGZPJMESA-N 1 0 624.838 7.484 1 0 KKAFRO COc1cccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5ccc(Cl)cn5)CC4)[C@@H](c4ccsc4)C3)CCC2)c1 ZINC000073220603 562736251 /nfs/dbraw/zinc/73/62/51/562736251.db2.gz RPKRJYUGJQDOGS-FPNNDXFKSA-N 1 0 565.183 6.075 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073224341 562736664 /nfs/dbraw/zinc/73/66/64/562736664.db2.gz JZLGUOKBQBXEDW-YRUKQIKQSA-N 1 0 532.006 5.752 1 0 KKAFRO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1ccc(C[NH2+]C2CC2)cc1 ZINC000073240406 562736909 /nfs/dbraw/zinc/73/69/09/562736909.db2.gz OTAJLAURFDNMKV-UKTHLTGXSA-N 1 0 515.032 7.323 1 0 KKAFRO CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=[NH2+])N(C)[C@@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000073243003 562737019 /nfs/dbraw/zinc/73/70/19/562737019.db2.gz BMGKUMOJIJODJU-CYBMUJFWSA-N 1 0 555.457 5.067 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ncccc23)cc1 ZINC000073275871 562737286 /nfs/dbraw/zinc/73/72/86/562737286.db2.gz YEDVQMXBJGPGIO-QHCPKHFHSA-N 1 0 509.355 6.898 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280284 562737459 /nfs/dbraw/zinc/73/74/59/562737459.db2.gz XXWFSNOROXVFAO-UUWRZZSWSA-N 1 0 620.835 5.038 1 0 KKAFRO C[NH+]1CCN(CCCNc2nccc(-c3c4ccc(C(F)(F)F)cn4nc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073292280 562737506 /nfs/dbraw/zinc/73/75/06/562737506.db2.gz NSYDPJXKRVPARU-UHFFFAOYSA-N 1 0 563.550 5.545 1 0 KKAFRO C[NH+](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)N[C@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000073294369 562737605 /nfs/dbraw/zinc/73/76/05/562737605.db2.gz QPOUCHIQTFZFLC-MRENJSGMSA-N 1 0 548.841 7.068 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000073310876 562737854 /nfs/dbraw/zinc/73/78/54/562737854.db2.gz ABABGOMCKUKBIN-COOQHBHUSA-N 1 0 580.747 6.303 1 0 KKAFRO COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390986 562738647 /nfs/dbraw/zinc/73/86/47/562738647.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 1 0 576.693 6.831 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000080627731 562738868 /nfs/dbraw/zinc/73/88/68/562738868.db2.gz SZESKYUCLVPQFH-YUXVDHEWSA-N 1 0 591.626 5.943 1 0 KKAFRO CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082140227 562739336 /nfs/dbraw/zinc/73/93/36/562739336.db2.gz HJYICCQACOCTRF-RCIPHKFISA-N 1 0 692.820 5.178 1 0 KKAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082149729 562739728 /nfs/dbraw/zinc/73/97/28/562739728.db2.gz RMGCGPJQYHWELG-SSEXGKCCSA-N 1 0 660.042 6.019 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082152197 562740014 /nfs/dbraw/zinc/74/00/14/562740014.db2.gz MXQUYHYUVZZMQP-WJOKGBTCSA-N 1 0 655.161 5.559 1 0 KKAFRO CCN1CC[NH+](C[C@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157518 562740926 /nfs/dbraw/zinc/74/09/26/562740926.db2.gz UUJNEICCDMYHRP-LDNVYYCDSA-N 1 0 705.889 5.419 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(Cl)cc4F)c4ccccc4c3=O)CC2)c1 ZINC000082157813 562741013 /nfs/dbraw/zinc/74/10/13/562741013.db2.gz BPINRSGEBWYMRZ-UHFFFAOYSA-N 1 0 533.047 6.084 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164708 562741177 /nfs/dbraw/zinc/74/11/77/562741177.db2.gz SZDNRBMQYZRUIM-AFPLUKJUSA-N 1 0 691.862 5.110 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cc(Cl)cc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000082178775 562741815 /nfs/dbraw/zinc/74/18/15/562741815.db2.gz APTNUAHTAUPJSF-SSEXGKCCSA-N 1 0 672.741 5.098 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1C[NH+]1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082190129 562742489 /nfs/dbraw/zinc/74/24/89/562742489.db2.gz MXVXMKOCRSBIMB-UHFFFAOYSA-N 1 0 665.723 5.029 1 0 KKAFRO COc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000084466484 562743237 /nfs/dbraw/zinc/74/32/37/562743237.db2.gz CCAKCPJSKBQNCZ-UHFFFAOYSA-N 1 0 503.524 6.718 1 0 KKAFRO COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c([nH+]c5cc(Cl)cc(Cl)c53)CCCC4)oc2c1 ZINC000084596261 562743676 /nfs/dbraw/zinc/74/36/76/562743676.db2.gz ZBIJYSUQXYNZEQ-UHFFFAOYSA-N 1 0 654.635 8.507 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)cc2)n1 ZINC000084596536 562743714 /nfs/dbraw/zinc/74/37/14/562743714.db2.gz IMIUVJGRGRFANP-IZZNHLLZSA-N 1 0 524.631 5.818 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3c(F)cc(F)cc3F)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084604450 562744289 /nfs/dbraw/zinc/74/42/89/562744289.db2.gz VSXBEFLLDLMWSD-JTQLQIEISA-N 1 0 524.421 5.284 1 0 KKAFRO c1ccc2sc(-c3ccc(OCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)cc3)nc2c1 ZINC000084616507 562744626 /nfs/dbraw/zinc/74/46/26/562744626.db2.gz JWYPYYYWTOWHTP-UHFFFAOYSA-N 1 0 507.703 8.442 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(-c2cc4ccccc4o2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084616777 562744659 /nfs/dbraw/zinc/74/46/59/562744659.db2.gz GCHQCIMIQVSYSE-UHFFFAOYSA-N 1 0 572.637 7.349 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2C)n1 ZINC000084618022 562745020 /nfs/dbraw/zinc/74/50/20/562745020.db2.gz YRHPPMMDYQCAKS-IZZNHLLZSA-N 1 0 555.113 6.641 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(Cc2ccccc2)n1 ZINC000084633510 562745734 /nfs/dbraw/zinc/74/57/34/562745734.db2.gz RRCOLRWNEODLST-IZZNHLLZSA-N 1 0 521.656 5.133 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O ZINC000084633580 562745753 /nfs/dbraw/zinc/74/57/53/562745753.db2.gz FIEWONGMXHAGRE-PVHODMMVSA-N 1 0 620.713 5.319 1 0 KKAFRO CCN(Cc1ccccc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084634552 562745893 /nfs/dbraw/zinc/74/58/93/562745893.db2.gz VVAZCDRSMWTUJT-UHFFFAOYSA-N 1 0 581.201 5.391 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC000084634923 562746002 /nfs/dbraw/zinc/74/60/02/562746002.db2.gz RJVIOWALVXBBFB-DQEYMECFSA-N 1 0 594.675 5.433 1 0 KKAFRO Nc1ncc(-c2cnn(CC[NH+]3CCCCC3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c21 ZINC000084635531 562746193 /nfs/dbraw/zinc/74/61/93/562746193.db2.gz RQYYSAWYJHRJJK-UHFFFAOYSA-N 1 0 555.683 6.678 1 0 KKAFRO CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C1=O ZINC000084635949 562746268 /nfs/dbraw/zinc/74/62/68/562746268.db2.gz PVAHDYWWVLMYMW-SSEXGKCCSA-N 1 0 575.109 5.332 1 0 KKAFRO Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000084651852 562746384 /nfs/dbraw/zinc/74/63/84/562746384.db2.gz JMQZBLUVCUYBTG-UHFFFAOYSA-N 1 0 657.035 7.410 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084652841 562746677 /nfs/dbraw/zinc/74/66/77/562746677.db2.gz ZYELMAMLXVAEML-CYFIQEHSSA-N 1 0 673.793 5.456 1 0 KKAFRO C[C@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655414 562747478 /nfs/dbraw/zinc/74/74/78/562747478.db2.gz AKWNDIGQZONPHP-INIZCTEOSA-N 1 0 540.611 6.379 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084670492 562748281 /nfs/dbraw/zinc/74/82/81/562748281.db2.gz MJJXCIAWUYSLTC-IAYPMUAMSA-N 1 0 634.793 6.397 1 0 KKAFRO COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000084688800 562749260 /nfs/dbraw/zinc/74/92/60/562749260.db2.gz WLLDCVHJRCZONV-PMERELPUSA-N 1 0 529.706 6.633 1 0 KKAFRO CC[N@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690063 562749476 /nfs/dbraw/zinc/74/94/76/562749476.db2.gz PWPZLEJFRYZEQC-HPJLMOCUSA-N 1 0 590.712 5.639 1 0 KKAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)OC(=O)Nc1ccccc12 ZINC000084690953 562749785 /nfs/dbraw/zinc/74/97/85/562749785.db2.gz WGJMVERMPFJOTM-GDLZYMKVSA-N 1 0 615.800 5.552 1 0 KKAFRO c1cc(-c2ccncc2)oc1C1=NO[C@H](c2ccccc2-c2cncnc2)N1c1ccc(N2CC[NH2+]CC2)cc1 ZINC000084709174 562750293 /nfs/dbraw/zinc/75/02/93/562750293.db2.gz XJPWEUGASNNPSG-WJOKGBTCSA-N 1 0 529.604 5.105 1 0 KKAFRO CNC(=O)c1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710040 562750418 /nfs/dbraw/zinc/75/04/18/562750418.db2.gz ZGSCLCGORFILOB-UUWRZZSWSA-N 1 0 585.668 5.070 1 0 KKAFRO Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cccnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084711158 562750601 /nfs/dbraw/zinc/75/06/01/562750601.db2.gz DSIICHITQDHXRE-XIFFEERXSA-N 1 0 562.073 6.969 1 0 KKAFRO OC[C@@H](OCc1ccccc1)[C@H]([NH2+]CCCn1cnc2c1ncnc2NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000084714473 562750955 /nfs/dbraw/zinc/75/09/55/562750955.db2.gz KOPMJIUGQCSLNZ-VSGBNLITSA-N 1 0 591.543 6.044 1 0 KKAFRO O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)c1cc(N2CC[NH+](CCO)CC2)cc(C(F)(F)F)c1 ZINC000084723410 562751067 /nfs/dbraw/zinc/75/10/67/562751067.db2.gz ROGVCVXQLSVUBO-CEUNXORHSA-N 1 0 616.644 5.636 1 0 KKAFRO C[NH+]1CCC([C@@H](CCCCC(=O)N2CC[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)C2)c2ccccc2)CC1 ZINC000084758469 562752640 /nfs/dbraw/zinc/75/26/40/562752640.db2.gz PEVJKPBZHLDFLW-DWACAAAGSA-N 1 0 544.567 6.258 1 0 KKAFRO Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@@H+](CC2CCC2)CC4)cc1 ZINC000095536784 562754105 /nfs/dbraw/zinc/75/41/05/562754105.db2.gz KDCJWNPHQQJZSG-RRKBCBNCSA-N 1 0 742.527 8.961 1 0 KKAFRO O=C(CCCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540077 562755520 /nfs/dbraw/zinc/75/55/20/562755520.db2.gz FSXQTMXCXNMEIZ-KDXMTYKHSA-N 1 0 806.848 8.887 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(F)(F)F)cc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095540193 562755566 /nfs/dbraw/zinc/75/55/66/562755566.db2.gz FTJYPJGCIQMROC-JTTJSRJUSA-N 1 0 813.874 6.757 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095541473 562756143 /nfs/dbraw/zinc/75/61/43/562756143.db2.gz BUPULZSGJRTAJI-VZUYHUTRSA-N 1 0 787.962 5.803 1 0 KKAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000095541485 562756146 /nfs/dbraw/zinc/75/61/46/562756146.db2.gz VVPFNZPWNRMYKV-UHFFFAOYSA-N 1 0 755.663 6.651 1 0 KKAFRO CCCC[NH+]1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000095541684 562756248 /nfs/dbraw/zinc/75/62/48/562756248.db2.gz RWWQSVQTYQZYBD-BPVPUQSSSA-N 1 0 745.843 5.901 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)C1=O ZINC000095541767 562756333 /nfs/dbraw/zinc/75/63/33/562756333.db2.gz YZHTWMSZYMJRIF-RWYGWLOXSA-N 1 0 773.935 6.226 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccsc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095543018 562757004 /nfs/dbraw/zinc/75/70/04/562757004.db2.gz JKJCIZRGISBRCE-WLUIYZHOSA-N 1 0 771.974 5.171 1 0 KKAFRO O=S(=O)(c1ccccc1)N(Cc1ccc(I)cc1)[C@H]1C[NH2+]C[C@@H]1N(Cc1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000095543484 562757289 /nfs/dbraw/zinc/75/72/89/562757289.db2.gz ALNICVDMFYPVLU-KYJUHHDHSA-N 1 0 813.521 5.318 1 0 in-vitro KKAFRO COc1ccc(NS(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH+](CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544869 562757955 /nfs/dbraw/zinc/75/79/55/562757955.db2.gz YRADJILHDILUQA-UHFFFAOYSA-N 1 0 801.092 7.376 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545711 562758179 /nfs/dbraw/zinc/75/81/79/562758179.db2.gz VBMKWPABKWXAOB-RWYGWLOXSA-N 1 0 756.731 7.581 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)CC[N@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)C2 ZINC000095548750 562759477 /nfs/dbraw/zinc/75/94/77/562759477.db2.gz FKTHCDIXZKIHTP-UHFFFAOYSA-N 1 0 776.887 6.194 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2cccnc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000095551835 562760461 /nfs/dbraw/zinc/76/04/61/562760461.db2.gz LAAYZOBRFBMBLF-UHFFFAOYSA-N 1 0 761.861 7.930 1 0 KKAFRO CCCCc1sc(-c2ccc(OCC[NH+]3CCCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095557874 562762270 /nfs/dbraw/zinc/76/22/70/562762270.db2.gz WUCLJDCOPCRNES-UHFFFAOYSA-N 1 0 547.164 9.130 1 0 KKAFRO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1C ZINC000095564102 562764173 /nfs/dbraw/zinc/76/41/73/562764173.db2.gz UYSKQJRXYUOGNB-YKZWVJOCSA-N 1 0 522.733 6.577 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566271 562764872 /nfs/dbraw/zinc/76/48/72/562764872.db2.gz ACSVFUACEODJDN-UNTHUGQZSA-N 1 0 594.712 5.478 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566497 562764990 /nfs/dbraw/zinc/76/49/90/562764990.db2.gz URAPLHCKRADHID-XMERXJNXSA-N 1 0 626.701 5.920 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566900 562765376 /nfs/dbraw/zinc/76/53/76/562765376.db2.gz WPPOVSPAEBFYOJ-RDXDNIQESA-N 1 0 652.748 6.204 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095567117 562765546 /nfs/dbraw/zinc/76/55/46/562765546.db2.gz RQWZPZKMXFSKNS-YYULODDRSA-N 1 0 603.642 5.306 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567386 562765752 /nfs/dbraw/zinc/76/57/52/562765752.db2.gz OFYJPRSBIVOGOZ-RLCGNTSFSA-N 1 0 666.663 6.649 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095567435 562765816 /nfs/dbraw/zinc/76/58/16/562765816.db2.gz NHGHJDDGJPIKGB-FYQCMVGJSA-N 1 0 590.687 5.512 1 0 KKAFRO COc1ccc(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 ZINC000095567661 562765944 /nfs/dbraw/zinc/76/59/44/562765944.db2.gz LFZLAWVTNRSJHJ-MJZSVGSSSA-N 1 0 735.866 6.442 1 0 KKAFRO Cc1cc(N2CCN([C@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2[nH+]1 ZINC000095567745 562766013 /nfs/dbraw/zinc/76/60/13/562766013.db2.gz NQPUPOVUVGQHQG-YTTGMZPUSA-N 1 0 504.678 6.132 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567756 562766040 /nfs/dbraw/zinc/76/60/40/562766040.db2.gz HLJJEFQTBOXRLT-CUBHQPEVSA-N 1 0 644.816 6.379 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567855 562766100 /nfs/dbraw/zinc/76/61/00/562766100.db2.gz ACSVFUACEODJDN-CAHKVJEUSA-N 1 0 594.712 5.478 1 0 KKAFRO 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 ZINC000095567864 562766143 /nfs/dbraw/zinc/76/61/43/562766143.db2.gz YPKBHAMQCQAOQB-FZLAZKPRSA-N 1 0 732.804 6.465 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567974 562766199 /nfs/dbraw/zinc/76/61/99/562766199.db2.gz YUKCNNACWFASQX-HNPLUWAHSA-N 1 0 628.648 5.430 1 0 KKAFRO 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 ZINC000095568024 562766209 /nfs/dbraw/zinc/76/62/09/562766209.db2.gz YPKBHAMQCQAOQB-ZENPUIFLSA-N 1 0 732.804 6.465 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568409 562766618 /nfs/dbraw/zinc/76/66/18/562766618.db2.gz GEPWAINBAFOOPW-NVOANOBXSA-N 1 0 613.799 6.279 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568400 562766624 /nfs/dbraw/zinc/76/66/24/562766624.db2.gz KPNIWBUOMWGGPJ-TWVHRYOLSA-N 1 0 698.692 6.455 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095568427 562766642 /nfs/dbraw/zinc/76/66/42/562766642.db2.gz SWHQDKJXWQFGPY-CZPUGAFSSA-N 1 0 643.568 5.647 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568957 562767045 /nfs/dbraw/zinc/76/70/45/562767045.db2.gz IXNRSUPNSZLJQC-YXFUQEGNSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569035 562767102 /nfs/dbraw/zinc/76/71/02/562767102.db2.gz QLYAZMSBNLAUET-GOFIJKOKSA-N 1 0 692.842 5.735 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569179 562767237 /nfs/dbraw/zinc/76/72/37/562767237.db2.gz VYCOOHAMPRTWAW-VEFCPFGPSA-N 1 0 719.927 6.745 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569250 562767319 /nfs/dbraw/zinc/76/73/19/562767319.db2.gz GCNTVXNBVJIYRL-PHLCOOFXSA-N 1 0 580.729 5.765 1 0 KKAFRO 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(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095569264 562767350 /nfs/dbraw/zinc/76/73/50/562767350.db2.gz ZGZURALGAMDSDO-DOKVQHETSA-N 1 0 690.848 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569391 562767400 /nfs/dbraw/zinc/76/74/00/562767400.db2.gz FKBDGSUSUALVGO-AXHSOIPPSA-N 1 0 674.842 6.433 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569493 562767445 /nfs/dbraw/zinc/76/74/45/562767445.db2.gz YUKCNNACWFASQX-JVAKCPTJSA-N 1 0 628.648 5.430 1 0 KKAFRO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000095569934 562767818 /nfs/dbraw/zinc/76/78/18/562767818.db2.gz ONZMGLOOFFOJCP-FVBCXUTKSA-N 1 0 550.744 5.190 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570886 562768563 /nfs/dbraw/zinc/76/85/63/562768563.db2.gz RKBLFXPXPCVUTN-SFXKCFQESA-N 1 0 662.252 6.089 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570953 562768690 /nfs/dbraw/zinc/76/86/90/562768690.db2.gz DOYVPIVJJALYPS-IHMCZWCLSA-N 1 0 604.714 6.011 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571328 562768965 /nfs/dbraw/zinc/76/89/65/562768965.db2.gz ZMUNMDKTHUEIDP-SFXKCFQESA-N 1 0 645.797 5.575 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571316 562768969 /nfs/dbraw/zinc/76/89/69/562768969.db2.gz NKYSZIASVRRVQA-QQJQPJPWSA-N 1 0 705.900 6.816 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000095571685 562769215 /nfs/dbraw/zinc/76/92/15/562769215.db2.gz CUQFOTQJZNKDLP-LMUOQGPPSA-N 1 0 577.124 7.031 1 0 KKAFRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@H](CNC(=S)Nc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095571916 562769261 /nfs/dbraw/zinc/76/92/61/562769261.db2.gz TZPCZKQYTIJARE-VMPREFPWSA-N 1 0 589.806 5.164 1 0 KKAFRO Cc1c(Cl)ccc(OC2CC[NH+](CC3CC[NH+]([C@@H](Cc4ccc(F)cc4)C(=O)[O-])CC3)CC2)c1Cl ZINC000095572037 562769279 /nfs/dbraw/zinc/76/92/79/562769279.db2.gz SEIOTCVWLCUESB-DEOSSOPVSA-N 1 0 523.476 5.692 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5cc(Cl)ccc5Cl)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095572875 562769519 /nfs/dbraw/zinc/76/95/19/562769519.db2.gz NQEPFLPQRDIOOO-UHFFFAOYSA-N 1 0 537.499 6.487 1 0 KKAFRO COc1ccccc1C[C@@H](C(=O)[O-])[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095573145 562769575 /nfs/dbraw/zinc/76/95/75/562769575.db2.gz VOPUEJLKUSXAOZ-VWLOTQADSA-N 1 0 521.485 5.253 1 0 KKAFRO CCC[NH2+]CC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1ccc(Cn2cnc4c2ncnc4Cl)cc1)OCO3 ZINC000095574243 562769930 /nfs/dbraw/zinc/76/99/30/562769930.db2.gz HVBWCONIXZASFI-CZNDPXEESA-N 1 0 712.203 6.171 1 0 KKAFRO Cc1cc(OC2CC[NH+](CC3CC[NH+]([C@@](C)(Cc4ccc(F)cc4)C(=O)[O-])CC3)CC2)ccc1Cl ZINC000095574378 562769956 /nfs/dbraw/zinc/76/99/56/562769956.db2.gz LEHDCEDFGAFVGX-NDEPHWFRSA-N 1 0 503.058 5.429 1 0 KKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([NH2+]Cc1ccc(I)cc1)CC2 ZINC000095574416 562769965 /nfs/dbraw/zinc/76/99/65/562769965.db2.gz SONYUBBIGVSXIN-NRFANRHFSA-N 1 0 573.427 5.130 1 0 KKAFRO O=C([O-])[C@H](Cc1ccccc1Cl)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095576196 562770567 /nfs/dbraw/zinc/77/05/67/562770567.db2.gz IUIGATKKQCOBAF-VWLOTQADSA-N 1 0 525.904 5.898 1 0 KKAFRO C[NH+](C)[C@H]1CCN([C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095576492 562770665 /nfs/dbraw/zinc/77/06/65/562770665.db2.gz SRNWDHOEWQLILF-JAUJNAEBSA-N 1 0 551.613 5.255 1 0 KKAFRO Cc1ccccc1C[C@@H](C(=O)[O-])[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095577353 562770911 /nfs/dbraw/zinc/77/09/11/562770911.db2.gz GKKOWDZJMOVEBY-SANMLTNESA-N 1 0 505.486 5.553 1 0 KKAFRO O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095577316 562770942 /nfs/dbraw/zinc/77/09/42/562770942.db2.gz HBKRQZPHQINADC-UHFFFAOYSA-N 1 0 527.694 5.964 1 0 KKAFRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)c(Br)c2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095578219 562771207 /nfs/dbraw/zinc/77/12/07/562771207.db2.gz FEXJIPJGMAGXEC-SPHVMLLUSA-N 1 0 537.433 5.106 1 0 KKAFRO CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095578320 562771225 /nfs/dbraw/zinc/77/12/25/562771225.db2.gz VOPNGBLDZXPEHL-CCDWMCETSA-N 1 0 549.634 5.013 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5cccc(NC(=O)c6ccccc6)c5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095578816 562771384 /nfs/dbraw/zinc/77/13/84/562771384.db2.gz JNPLSSMHUNNPCB-UHFFFAOYSA-N 1 0 587.732 6.433 1 0 KKAFRO [NH3+]C1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095579193 562771488 /nfs/dbraw/zinc/77/14/88/562771488.db2.gz XQBGHGICHOVVTE-UHFFFAOYSA-N 1 0 515.448 6.244 1 0 KKAFRO C[N@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2cccc3ccccc32)cc1)Cc1ccccc1 ZINC000095579519 562771576 /nfs/dbraw/zinc/77/15/76/562771576.db2.gz NYQBQOPAOPOYLH-UHFFFAOYSA-N 1 0 581.756 9.945 1 0 KKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579807 562771633 /nfs/dbraw/zinc/77/16/33/562771633.db2.gz JGXVOAQWJQPIDB-HSTAETNISA-N 1 0 548.768 5.646 1 0 KKAFRO CC(C)[C@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccccc1F ZINC000095581356 562772145 /nfs/dbraw/zinc/77/21/45/562772145.db2.gz XGDDPVUCHSMVBM-AREMUKBSSA-N 1 0 521.036 5.426 1 0 KKAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@@H]2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC ZINC000095585191 562773529 /nfs/dbraw/zinc/77/35/29/562773529.db2.gz YVMRZYPIAAUZMZ-DQEYMECFSA-N 1 0 523.073 5.489 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095586470 562773925 /nfs/dbraw/zinc/77/39/25/562773925.db2.gz GQUAAJHEELJJGV-PPMCTTEPSA-N 1 0 507.715 5.338 1 0 KKAFRO c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c2-c2ccccc2)cc1 ZINC000095587233 562774275 /nfs/dbraw/zinc/77/42/75/562774275.db2.gz VRPRFMSKPPZJFK-UHFFFAOYSA-N 1 0 590.815 10.374 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c([C@@H](O)C(F)(F)C(F)(F)F)csc4c3)[nH]2)cc1 ZINC000095588326 562774617 /nfs/dbraw/zinc/77/46/17/562774617.db2.gz MRRAFIQTUKCGLD-AREMUKBSSA-N 1 0 588.602 7.192 1 0 KKAFRO COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095588674 562774720 /nfs/dbraw/zinc/77/47/20/562774720.db2.gz PEMQHAPIVQKWHA-UHFFFAOYSA-N 1 0 620.841 10.382 1 0 KKAFRO CCc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c(C)[nH]nc21 ZINC000095591009 562775425 /nfs/dbraw/zinc/77/54/25/562775425.db2.gz BMBUNRAVRJCKBO-XIFFEERXSA-N 1 0 654.860 5.043 1 0 KKAFRO Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095591112 562775516 /nfs/dbraw/zinc/77/55/16/562775516.db2.gz CWCYPRVQVGCZSY-UHFFFAOYSA-N 1 0 653.314 11.807 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)C[N@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095591416 562775615 /nfs/dbraw/zinc/77/56/15/562775615.db2.gz AJXVQXUPENYTDG-UHFFFAOYSA-N 1 0 719.835 6.566 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095592186 562775883 /nfs/dbraw/zinc/77/58/83/562775883.db2.gz LNCUOIFARAALBE-UHFFFAOYSA-N 1 0 587.676 6.516 1 0 KKAFRO CC[NH+](CC)CC[C@H](C)COc1c(I)cc(I)c2cccnc21 ZINC000095594397 562776451 /nfs/dbraw/zinc/77/64/51/562776451.db2.gz DXAQCASUGRSAKF-ZDUSSCGKSA-N 1 0 538.211 5.191 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@@H+](C)C4CCCCC4)c(C)c3oc2=O)ccc1O ZINC000095594437 562776487 /nfs/dbraw/zinc/77/64/87/562776487.db2.gz USWQFJPYJGNIBZ-UHFFFAOYSA-N 1 0 532.681 6.601 1 0 KKAFRO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1)COc1c(I)cc(I)c2cccnc21 ZINC000095594923 562776607 /nfs/dbraw/zinc/77/66/07/562776607.db2.gz XESVDBWKQYGELW-AWEZNQCLSA-N 1 0 606.673 6.292 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCC[C@@H]4CCCC[NH2+]4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596282 562776914 /nfs/dbraw/zinc/77/69/14/562776914.db2.gz QLDCMOPBHQHYSP-VWLOTQADSA-N 1 0 532.637 5.699 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598758 562777468 /nfs/dbraw/zinc/77/74/68/562777468.db2.gz ILRCCMQCDZZMAZ-XFBASLRHSA-N 1 0 706.265 5.327 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598718 562777522 /nfs/dbraw/zinc/77/75/22/562777522.db2.gz GQVRJEGSXSCMGQ-DSRMTXSPSA-N 1 0 650.780 5.517 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095599218 562777852 /nfs/dbraw/zinc/77/78/52/562777852.db2.gz IVGISJLMDFIDFY-NOMHHCBYSA-N 1 0 590.687 6.082 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095599224 562777868 /nfs/dbraw/zinc/77/78/68/562777868.db2.gz UFTUBZJHXRESLK-IFGDVQFWSA-N 1 0 724.723 6.861 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599262 562777958 /nfs/dbraw/zinc/77/79/58/562777958.db2.gz ZKPAWGOFKUDAFA-WCPDHXNLSA-N 1 0 685.788 6.672 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095599340 562777979 /nfs/dbraw/zinc/77/79/79/562777979.db2.gz QMCFBRPLMVFDBX-QZCKSCMDSA-N 1 0 740.285 7.087 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778021 /nfs/dbraw/zinc/77/80/21/562778021.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N 1 0 620.599 5.075 1 0 KKAFRO COc1ccc(N2c3ccccc3C[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000095599343 562778029 /nfs/dbraw/zinc/77/80/29/562778029.db2.gz RODVYEFULQJVLM-VWLRAHFJSA-N 1 0 524.708 8.516 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599484 562778137 /nfs/dbraw/zinc/77/81/37/562778137.db2.gz RBOAJFBNHJWMOW-VAQOQGKESA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095600588 562779062 /nfs/dbraw/zinc/77/90/62/562779062.db2.gz LFCBJIZGBQWHQM-QTLXSIBASA-N 1 0 602.776 5.261 3 0 KKAFRO 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(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600888 562779329 /nfs/dbraw/zinc/77/93/29/562779329.db2.gz CZGXFYZCYNDJOB-IUVSGJEMSA-N 1 0 752.797 8.296 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095600940 562779340 /nfs/dbraw/zinc/77/93/40/562779340.db2.gz RCFXVEPLISCIDK-KMVLGAPJSA-N 1 0 618.562 5.523 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095601946 562779839 /nfs/dbraw/zinc/77/98/39/562779839.db2.gz RXIJSVCALBVVES-FXKJGQKXSA-N 1 0 706.733 6.722 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095602373 562780073 /nfs/dbraw/zinc/78/00/73/562780073.db2.gz UQRVVYXDOOLUAO-SUCLBKFRSA-N 1 0 723.830 6.573 1 0 KKAFRO 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(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095602400 562780088 /nfs/dbraw/zinc/78/00/88/562780088.db2.gz QKQHOPFIEPLIHC-PUMORYBASA-N 1 0 689.738 6.914 1 0 KKAFRO COc1ccc(NC(=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 ZINC000095603124 562780418 /nfs/dbraw/zinc/78/04/18/562780418.db2.gz MQYRYLVPTZBBHK-HJBDBDOVSA-N 1 0 714.826 7.286 1 0 KKAFRO 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)c3ccccc3)cc2C1=O ZINC000095603405 562780501 /nfs/dbraw/zinc/78/05/01/562780501.db2.gz RXIJSVCALBVVES-GJWZSCNASA-N 1 0 706.733 6.722 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@H](C)O3)cc1 ZINC000095603447 562780535 /nfs/dbraw/zinc/78/05/35/562780535.db2.gz GNVPCHVWJKYRPL-FBTROWELSA-N 1 0 647.817 5.662 1 0 KKAFRO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(C[NH+]6CCCCC6)c5)cc43)cc2Cl)c1 ZINC000095603938 562780761 /nfs/dbraw/zinc/78/07/61/562780761.db2.gz RVHBEEYZMLKBFB-UHFFFAOYSA-N 1 0 553.081 8.398 1 0 KKAFRO 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 ZINC000095604012 562780765 /nfs/dbraw/zinc/78/07/65/562780765.db2.gz UIKXZKCHSBRXDR-CYCDCDHJSA-N 1 0 705.840 6.434 1 0 KKAFRO 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 ZINC000095604360 562780992 /nfs/dbraw/zinc/78/09/92/562780992.db2.gz FDDMFJKLVOMWML-FOXNFBMGSA-N 1 0 703.683 7.704 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095604333 562781004 /nfs/dbraw/zinc/78/10/04/562781004.db2.gz QMCFBRPLMVFDBX-NAJARDBOSA-N 1 0 740.285 7.087 1 0 KKAFRO 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 ZINC000095605155 562781350 /nfs/dbraw/zinc/78/13/50/562781350.db2.gz XGMQKVJTWVADHD-RLJUXYCZSA-N 1 0 714.826 7.286 1 0 KKAFRO COc1ccc(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 ZINC000095605107 562781367 /nfs/dbraw/zinc/78/13/67/562781367.db2.gz LFZLAWVTNRSJHJ-BTHRYZMCSA-N 1 0 735.866 6.442 1 0 KKAFRO 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(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095605184 562781417 /nfs/dbraw/zinc/78/14/17/562781417.db2.gz PIPSXTOHKBCCEO-QZCKSCMDSA-N 1 0 702.790 7.416 1 0 KKAFRO O=C(Nc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095605328 562781496 /nfs/dbraw/zinc/78/14/96/562781496.db2.gz WAZWRCTZGZUBKE-OAPYJULQSA-N 1 0 593.525 7.002 1 0 KKAFRO COc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000095607155 562782659 /nfs/dbraw/zinc/78/26/59/562782659.db2.gz RMSWKUOSOVPFPF-SANMLTNESA-N 1 0 521.485 5.253 1 0 KKAFRO C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc4[nH]ccc43)cc2)CC1 ZINC000095607626 562782904 /nfs/dbraw/zinc/78/29/04/562782904.db2.gz STAGSNVHYTWZTE-UHFFFAOYSA-N 1 0 507.465 6.927 1 0 KKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)C(C/C=C/I)C/C=C/I)[N@@H+]3C)cc1 ZINC000095607604 562782908 /nfs/dbraw/zinc/78/29/08/562782908.db2.gz RKPWYMFEVAXQBZ-VLBHHFNZSA-N 1 0 589.299 6.424 1 0 KKAFRO O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000095612976 562785969 /nfs/dbraw/zinc/78/59/69/562785969.db2.gz WQVDZDREHNVNGE-ASUKMMDNSA-N 1 0 743.827 5.653 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095613174 562786107 /nfs/dbraw/zinc/78/61/07/562786107.db2.gz KFDDKHKLWGIBTA-FNCFBVQQSA-N 1 0 771.881 6.434 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000095613520 562786339 /nfs/dbraw/zinc/78/63/39/562786339.db2.gz LNIGEZFVMPRKQR-KEZHEGSASA-N 1 0 799.935 7.071 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095615801 562787551 /nfs/dbraw/zinc/78/75/51/562787551.db2.gz QLCVVOWGJDDYNM-JTTJSRJUSA-N 1 0 745.877 5.738 1 0 KKAFRO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670199 562788278 /nfs/dbraw/zinc/78/82/78/562788278.db2.gz DPSGNGUIODYZLY-SQHAQQRYSA-N 1 0 501.545 5.790 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095782658 562789065 /nfs/dbraw/zinc/78/90/65/562789065.db2.gz UPYOMULBLKVBBL-PWTWFPBBSA-N 1 0 622.851 6.638 1 0 KKAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)CN(Cc2ccncc2)[C@@H]1CO ZINC000095796784 562789169 /nfs/dbraw/zinc/78/91/69/562789169.db2.gz RIBPBJMOZQOLJW-JGCGQSQUSA-N 1 0 559.714 5.717 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095833224 562789298 /nfs/dbraw/zinc/78/92/98/562789298.db2.gz FORWBLLIOZUMCF-CGQTXMLISA-N 1 0 653.632 6.721 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095857135 562789637 /nfs/dbraw/zinc/78/96/37/562789637.db2.gz VWCVFDWYUIZVLY-SGQICDRISA-N 1 0 676.736 7.494 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nn[nH]n3)cccc2C1=O ZINC000095872121 562789986 /nfs/dbraw/zinc/78/99/86/562789986.db2.gz ZOMBISWWQFPDRT-KDYSTLNUSA-N 1 0 526.641 5.039 1 0 KKAFRO CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872172 562790058 /nfs/dbraw/zinc/79/00/58/562790058.db2.gz BFKLOOYJPCVUIN-AFMDSPMNSA-N 1 0 580.516 6.485 1 0 KKAFRO C[C@@H]1CN(C)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095872938 562790107 /nfs/dbraw/zinc/79/01/07/562790107.db2.gz COTMOQJVMZRAAK-DJUQAAIZSA-N 1 0 550.659 5.727 1 0 KKAFRO O=C(c1ccc(F)cc1C(F)(F)F)N(c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000096173899 562791594 /nfs/dbraw/zinc/79/15/94/562791594.db2.gz HQZJXPHHIKXPCH-UHFFFAOYSA-N 1 0 502.508 6.393 1 0 KKAFRO OC1(c2ccccc2)CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174010 562791610 /nfs/dbraw/zinc/79/16/10/562791610.db2.gz UVZLUMOZKUSHMU-UHFFFAOYSA-N 1 0 500.606 5.537 1 0 KKAFRO O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174110 562791718 /nfs/dbraw/zinc/79/17/18/562791718.db2.gz ZZQVEWCNZOVNBP-UHFFFAOYSA-N 1 0 560.637 5.979 1 0 KKAFRO O=C(Nc1ccccc1F)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174100 562791728 /nfs/dbraw/zinc/79/17/28/562791728.db2.gz ZMIDWLHXCHSSLD-UHFFFAOYSA-N 1 0 560.637 5.979 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CC[N@@H+](C(C)C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175744 562791929 /nfs/dbraw/zinc/79/19/29/562791929.db2.gz FAPPNSTXRLTGTB-UHFFFAOYSA-N 1 0 657.841 6.504 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@H]5CC[NH2+]C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175755 562791960 /nfs/dbraw/zinc/79/19/60/562791960.db2.gz PVJJKPKHVQSUDO-FQEVSTJZSA-N 1 0 603.749 5.084 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@@H]5CC[N@H+](C)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175756 562791995 /nfs/dbraw/zinc/79/19/95/562791995.db2.gz FJWLTICFCATXQI-OAQYLSRUSA-N 1 0 617.776 5.426 1 0 KKAFRO C[C@H](C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270074 562793133 /nfs/dbraw/zinc/79/31/33/562793133.db2.gz YAJBEERVPURFIL-NRFANRHFSA-N 1 0 572.637 5.839 1 0 KKAFRO C[C@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270060 562793141 /nfs/dbraw/zinc/79/31/41/562793141.db2.gz WHKJEXOECXIDBC-SANMLTNESA-N 1 0 642.772 7.789 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c3cc(F)ccc3c2=O)cc1F ZINC000096270736 562793367 /nfs/dbraw/zinc/79/33/67/562793367.db2.gz FHEBCVQEJHCJPC-UHFFFAOYSA-N 1 0 740.207 8.420 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)cc1F ZINC000096271509 562793755 /nfs/dbraw/zinc/79/37/55/562793755.db2.gz MMLHZEYVLDVWPX-UHFFFAOYSA-N 1 0 705.230 9.797 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271290 562793758 /nfs/dbraw/zinc/79/37/58/562793758.db2.gz YJNLZKNMMIUXMH-UHFFFAOYSA-N 1 0 569.193 8.920 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271292 562793766 /nfs/dbraw/zinc/79/37/66/562793766.db2.gz PNWRLRLEZRJJMK-UHFFFAOYSA-N 1 0 640.272 8.426 1 0 KKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)NCCCCCc1nc2ccccc2s1 ZINC000096273395 562794444 /nfs/dbraw/zinc/79/44/44/562794444.db2.gz UTCPGOBWDZEESH-UHFFFAOYSA-N 1 0 514.739 7.225 1 0 KKAFRO C[NH+](C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1Br ZINC000096921934 562801573 /nfs/dbraw/zinc/80/15/73/562801573.db2.gz GYGWWRXWIAUDSU-UHFFFAOYSA-N 1 0 560.290 5.365 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCc3cc(O)ccc32)C1 ZINC000096284302 562795084 /nfs/dbraw/zinc/79/50/84/562795084.db2.gz LBDDGYXLYQLAQV-XRODADMRSA-N 1 0 528.537 6.518 1 0 KKAFRO CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284380 562795122 /nfs/dbraw/zinc/79/51/22/562795122.db2.gz BKWGSIZDACKFHE-SSEXGKCCSA-N 1 0 537.708 5.622 1 0 KKAFRO C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)n1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285297 562795443 /nfs/dbraw/zinc/79/54/43/562795443.db2.gz JMFRZCFVKSIBHG-SANMLTNESA-N 1 0 632.784 6.271 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 ZINC000096285336 562795445 /nfs/dbraw/zinc/79/54/45/562795445.db2.gz LTECMHSUEOHWDT-OFVILXPXSA-N 1 0 526.125 5.212 1 0 KKAFRO Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285386 562795614 /nfs/dbraw/zinc/79/56/14/562795614.db2.gz RQYNLNIHIFFLTK-LVXARBLLSA-N 1 0 572.219 6.198 1 0 KKAFRO Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285375 562795592 /nfs/dbraw/zinc/79/55/92/562795592.db2.gz FRBJEUDAEXXYFS-NGQVCNFZSA-N 1 0 560.787 5.495 1 0 KKAFRO CCn1nc(Cc2ccc3ccccc3c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903983 562798072 /nfs/dbraw/zinc/79/80/72/562798072.db2.gz CHOHDRRBJZPQIH-URSHZUDISA-N 1 0 610.818 7.180 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903945 562798092 /nfs/dbraw/zinc/79/80/92/562798092.db2.gz MEPXXUYZHJICDR-AREMUKBSSA-N 1 0 613.551 9.291 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2cccnc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096905084 562798453 /nfs/dbraw/zinc/79/84/53/562798453.db2.gz WJTJNOGJRJYRJN-DMSFNOBKSA-N 1 0 608.635 7.405 1 0 KKAFRO Cc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CC[NH+](C5CCC5)CC4)c3)c2)c1Cl ZINC000096906425 562798744 /nfs/dbraw/zinc/79/87/44/562798744.db2.gz NDZXQUQZWJOGKU-UHFFFAOYSA-N 1 0 543.115 5.631 1 0 KKAFRO C[C@](O)(CCC[NH2+]Cc1cccnc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096907054 562798982 /nfs/dbraw/zinc/79/89/82/562798982.db2.gz QRRRCYGPDKJSMY-VDPSFHEQSA-N 1 0 526.806 5.719 1 0 KKAFRO COc1cc2c(cc1OCCC[N@@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908963 562799543 /nfs/dbraw/zinc/79/95/43/562799543.db2.gz ZFEYMTGWHMQIRG-DEOSSOPVSA-N 1 0 624.811 7.813 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908961 562799545 /nfs/dbraw/zinc/79/95/45/562799545.db2.gz AWDWKAXXQXTXNH-UHFFFAOYSA-N 1 0 603.148 7.071 1 0 KKAFRO CN(CC[NH+]1CCCCC1)Cc1cnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909364 562799559 /nfs/dbraw/zinc/79/95/59/562799559.db2.gz ZARZGMZWVQWUJG-UHFFFAOYSA-N 1 0 744.903 8.060 1 0 KKAFRO Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000096909424 562799611 /nfs/dbraw/zinc/79/96/11/562799611.db2.gz DVAYSMRAAGGOEC-QXUSSCGESA-N 1 0 759.904 5.390 1 0 KKAFRO COc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096909599 562799671 /nfs/dbraw/zinc/79/96/71/562799671.db2.gz NXMDPNGPDQYQEL-PZGXJGMVSA-N 1 0 503.643 5.158 1 0 KKAFRO COc1ccc(C[C@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913941 562800595 /nfs/dbraw/zinc/80/05/95/562800595.db2.gz MMCZBTWRJUEGHU-PMERELPUSA-N 1 0 587.761 5.035 1 0 KKAFRO CC[NH+](CC)CCNC(=O)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 ZINC000096923205 562802011 /nfs/dbraw/zinc/80/20/11/562802011.db2.gz OGIHDRYHOHQLED-UHFFFAOYSA-N 1 0 545.536 6.744 1 0 KKAFRO O=c1cc(-c2cccs2)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929478 562803054 /nfs/dbraw/zinc/80/30/54/562803054.db2.gz IKMSNBKYOWTWIS-UHFFFAOYSA-N 1 0 518.610 6.840 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccccc3)n2)cc1F ZINC000096932302 562803360 /nfs/dbraw/zinc/80/33/60/562803360.db2.gz XDODDVGSEUMRQE-UHFFFAOYSA-N 1 0 607.686 7.139 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3C)ccn2)cc1F ZINC000096932320 562803379 /nfs/dbraw/zinc/80/33/79/562803379.db2.gz LKJFGAFEPSNWPJ-UHFFFAOYSA-N 1 0 635.740 6.814 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932319 562803386 /nfs/dbraw/zinc/80/33/86/562803386.db2.gz ZEXVKTFRFYFERV-UHFFFAOYSA-N 1 0 610.661 7.493 1 0 KKAFRO CC(C)[NH2+][C@@H]1CCCC[C@@H]1Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143526261 562835133 /nfs/dbraw/zinc/83/51/33/562835133.db2.gz OBORHCMBBBMVJQ-BDAKNGLRSA-N 1 0 587.980 6.334 1 0 KKAFRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000096937285 562804168 /nfs/dbraw/zinc/80/41/68/562804168.db2.gz QXBRLYYVUXFWHN-UHFFFAOYSA-N 1 0 596.084 5.644 1 0 KKAFRO CCCCOC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938761 562804605 /nfs/dbraw/zinc/80/46/05/562804605.db2.gz QXSZXBVVTIIUON-UHFFFAOYSA-N 1 0 580.725 7.117 1 0 KKAFRO CC(C)(C)CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 ZINC000098065460 562805147 /nfs/dbraw/zinc/80/51/47/562805147.db2.gz ZQYCYGZSRBLFBG-UHFFFAOYSA-N 1 0 500.521 6.778 1 0 KKAFRO O=C1[C@H]2[C@@H](C(=O)N1CCCN1CC[NH+](CCCN3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085232 562805811 /nfs/dbraw/zinc/80/58/11/562805811.db2.gz NIYHRHQXPVSRCC-YANSGNLESA-N 1 0 716.882 5.169 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000100076227 562806593 /nfs/dbraw/zinc/80/65/93/562806593.db2.gz ZCRCVSPHENOIHO-PKQPGRETSA-N 1 0 558.702 5.532 1 0 KKAFRO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CC1)C2 ZINC000100076424 562806690 /nfs/dbraw/zinc/80/66/90/562806690.db2.gz FFFPZUZINGLABU-CSSKISATSA-N 1 0 580.777 6.091 1 0 KKAFRO CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2C(c2ccccc2)c2ccccc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000100716000 562807242 /nfs/dbraw/zinc/80/72/42/562807242.db2.gz AFEZFXAMXLGUTD-TZHWMEPESA-N 1 0 604.751 7.255 1 0 KKAFRO CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000100855498 562808267 /nfs/dbraw/zinc/80/82/67/562808267.db2.gz ZYJSDERZORMBNJ-CCIZXNCKSA-N 1 0 509.738 7.325 1 0 KKAFRO NC(C=O)c1cccc(N2C(=O)N(c3cccc(C(=[NH2+])NO)c3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000101003361 562808619 /nfs/dbraw/zinc/80/86/19/562808619.db2.gz RSDCQRDGVPPDHN-XYRIMNNSSA-N 1 0 577.685 5.226 1 0 KKAFRO CC(C)(Cc1c[nH]c2ccccc12)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101050407 562808906 /nfs/dbraw/zinc/80/89/06/562808906.db2.gz VNABIAHDXXGREU-UVMFRMCBSA-N 1 0 569.709 6.965 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 ZINC000101085010 562809049 /nfs/dbraw/zinc/80/90/49/562809049.db2.gz RVPGPLCUKORXKA-BGYRXZFFSA-N 1 0 562.601 5.698 1 0 KKAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC ZINC000101086034 562809059 /nfs/dbraw/zinc/80/90/59/562809059.db2.gz USIWFTPEBGPOSA-MEMLXQNLSA-N 1 0 556.647 5.114 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+]([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000101127797 562809384 /nfs/dbraw/zinc/80/93/84/562809384.db2.gz KAHFZGUOPFFVHW-OYRHEFFESA-N 1 0 526.530 5.192 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000101141206 562809420 /nfs/dbraw/zinc/80/94/20/562809420.db2.gz FKCAMFNRBHONBH-KUMHGWDASA-N 1 0 500.691 6.315 1 0 KKAFRO COc1ccccc1NC(=O)N(CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 ZINC000101138409 562809428 /nfs/dbraw/zinc/80/94/28/562809428.db2.gz BIDHOLBHYBEPOD-GPOLMCQNSA-N 1 0 516.690 6.015 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000101161913 562809546 /nfs/dbraw/zinc/80/95/46/562809546.db2.gz LPUMYQIFRLFYJR-UBRQYEGLSA-N 1 0 555.554 7.313 1 0 KKAFRO Cc1nc(C(C)C)n([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101177000 562809657 /nfs/dbraw/zinc/80/96/57/562809657.db2.gz PTUIAFZYMVYAII-QUMGSSFMSA-N 1 0 513.677 5.951 1 0 KKAFRO COC(=O)[C@@H](c1ccccc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809843 /nfs/dbraw/zinc/80/98/43/562809843.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 1 0 576.785 6.851 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193592 562809873 /nfs/dbraw/zinc/80/98/73/562809873.db2.gz YOJOIMABKIOJRY-MOYSKTIJSA-N 1 0 590.812 7.379 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193589 562809905 /nfs/dbraw/zinc/80/99/05/562809905.db2.gz PJUZFIMJBIWYQW-MOYSKTIJSA-N 1 0 590.812 7.379 1 0 KKAFRO COc1cc(Nc2ncnc3ccc(-c4ccc(C[N@@H+]5C[C@H]6[C@@H](CO)[C@H]6C5)cc4)cc32)ccc1Oc1ccccc1 ZINC000101216381 562810009 /nfs/dbraw/zinc/81/00/09/562810009.db2.gz WZZXMNBOPNKKSX-RLPLKTQASA-N 1 0 544.655 6.511 1 0 KKAFRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(F)cc1F ZINC000101338029 562810347 /nfs/dbraw/zinc/81/03/47/562810347.db2.gz KUBVRBHREBOZQR-JNXJTYLLSA-N 1 0 506.584 5.059 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(OC(=O)c3oc4ccccc4c3C)c(OC)c2)C1C(=O)OC ZINC000101486591 562810980 /nfs/dbraw/zinc/81/09/80/562810980.db2.gz VSSKPDOVYLOWLY-UIKMQHARSA-N 1 0 505.523 5.390 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(OC(=O)c3oc4ccccc4c3C)c(OC)c2)C1C(=O)OC ZINC000101486588 562810987 /nfs/dbraw/zinc/81/09/87/562810987.db2.gz VSSKPDOVYLOWLY-AVQAENAPSA-N 1 0 505.523 5.390 1 0 KKAFRO COc1cc(OC(=O)[C@H]2CC[C@@H]([NH+](C)[C@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101514846 562811179 /nfs/dbraw/zinc/81/11/79/562811179.db2.gz OVPVKROOCINTRG-KBQPQWKXSA-N 1 0 615.720 5.299 1 0 KKAFRO C[NH2+][C@H]1CC[C@@H](N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000101549231 562811283 /nfs/dbraw/zinc/81/12/83/562811283.db2.gz OBYJCKCGYTYXFN-HZCBDIJESA-N 1 0 524.517 7.443 1 0 KKAFRO C[NH2+][C@H]1CC[C@H](N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000101549227 562811285 /nfs/dbraw/zinc/81/12/85/562811285.db2.gz OBYJCKCGYTYXFN-SZPZYZBQSA-N 1 0 524.517 7.443 1 0 KKAFRO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645076 562811524 /nfs/dbraw/zinc/81/15/24/562811524.db2.gz XWWBOYDUGHVMQG-DNQXCXABSA-N 1 0 526.633 5.201 1 0 KKAFRO O=C(CC[NH2+]CCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696393 562811878 /nfs/dbraw/zinc/81/18/78/562811878.db2.gz WJFSDFGKTJQREP-UHFFFAOYSA-N 1 0 626.779 5.305 1 0 KKAFRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696383 562811888 /nfs/dbraw/zinc/81/18/88/562811888.db2.gz TWPQZUPBFGJHLF-SZPZYZBQSA-N 1 0 597.737 6.102 1 0 KKAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000103168462 562814658 /nfs/dbraw/zinc/81/46/58/562814658.db2.gz BZGXJAYQPGNMPS-UHFFFAOYSA-N 1 0 574.070 5.275 1 0 KKAFRO CC1CC[NH+](CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000103175740 562815070 /nfs/dbraw/zinc/81/50/70/562815070.db2.gz NSMOPVPYVGXDIL-UHFFFAOYSA-N 1 0 521.927 5.740 1 0 KKAFRO CCCN(C(=O)COc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198879 562815995 /nfs/dbraw/zinc/81/59/95/562815995.db2.gz XERFUSFVPGQKBI-GDLZYMKVSA-N 1 0 577.791 5.263 1 0 KKAFRO O=c1[nH]c(Cc2ccccc2Nc2c(Cl)cccc2Cl)nc2c1[C@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000103201550 562816103 /nfs/dbraw/zinc/81/61/03/562816103.db2.gz FUHFWCJOWKLAHZ-DLFZDVPBSA-N 1 0 629.592 7.674 1 0 KKAFRO CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103214762 562816987 /nfs/dbraw/zinc/81/69/87/562816987.db2.gz YWEINOSANVASTB-MHZLTWQESA-N 1 0 563.783 7.272 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224997 562817651 /nfs/dbraw/zinc/81/76/51/562817651.db2.gz GWHGPTZUEFQPNH-GWMMUDDPSA-N 1 0 521.731 5.030 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225803 562817772 /nfs/dbraw/zinc/81/77/72/562817772.db2.gz WFRWQETYSFTMTJ-UUROJUAVSA-N 1 0 535.758 5.204 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225789 562817779 /nfs/dbraw/zinc/81/77/79/562817779.db2.gz IJDZPNGINLWIJW-PJMCFOBISA-N 1 0 556.776 6.181 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3cnccc32)CC1 ZINC000103226386 562817813 /nfs/dbraw/zinc/81/78/13/562817813.db2.gz IUSRBIIIVXBAOM-UHFFFAOYSA-N 1 0 553.629 7.156 1 0 KKAFRO CC(C)(C)C[N@@H+]1CC[C@@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226404 562817814 /nfs/dbraw/zinc/81/78/14/562817814.db2.gz ZRQYABBZGJNCMK-LJAQVGFWSA-N 1 0 538.614 7.371 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227162 562817860 /nfs/dbraw/zinc/81/78/60/562817860.db2.gz SCNLACQHVSYICA-UUQNIDNHSA-N 1 0 562.749 7.145 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227185 562817892 /nfs/dbraw/zinc/81/78/92/562817892.db2.gz SCDVTYVEEOZJQT-BPXGVECKSA-N 1 0 528.722 5.665 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228613 562818013 /nfs/dbraw/zinc/81/80/13/562818013.db2.gz HUVJPZPMBVNPFR-UHFFFAOYSA-N 1 0 533.625 5.701 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3cc(OCC[NH+]4CCCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228657 562818032 /nfs/dbraw/zinc/81/80/32/562818032.db2.gz QPPKSAZYOCPGKH-UHFFFAOYSA-N 1 0 547.652 6.009 1 0 KKAFRO Clc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230156 562818140 /nfs/dbraw/zinc/81/81/40/562818140.db2.gz LZGQSXPHQTXUGY-PGSXWIQSSA-N 1 0 536.915 8.046 1 0 KKAFRO COc1ccccc1/C=C1\C[NH2+]CC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@H]2c1ccccc1OC ZINC000103230118 562818151 /nfs/dbraw/zinc/81/81/51/562818151.db2.gz FVKWBAHPUAWUCW-PEEFESNKSA-N 1 0 511.622 6.242 1 0 KKAFRO C[NH+](C)CC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232920 562818405 /nfs/dbraw/zinc/81/84/05/562818405.db2.gz QOAOOBLEORARMS-OAHLLOKOSA-N 1 0 548.306 5.572 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233999 562818568 /nfs/dbraw/zinc/81/85/68/562818568.db2.gz BMQGIPHCTZAMMW-CSSKISATSA-N 1 0 532.732 6.777 1 0 KKAFRO COc1ccc(C[C@H]2COc3cc(OCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)ccc3C2=O)cc1 ZINC000103248548 562820026 /nfs/dbraw/zinc/82/00/26/562820026.db2.gz VPASMJLIZUECKG-SANMLTNESA-N 1 0 564.726 7.608 1 0 KKAFRO O=C(Nc1ccc(-n2nccn2)nc1)N1CCC2(CC1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103260736 562821230 /nfs/dbraw/zinc/82/12/30/562821230.db2.gz BQRNKAAATNSNDN-UHFFFAOYSA-N 1 0 558.086 6.018 1 0 KKAFRO O=C(Nc1noc2ccccc21)N1CCC2(C[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)CC1 ZINC000103263317 562821714 /nfs/dbraw/zinc/82/17/14/562821714.db2.gz ACKUHCJCHQNYIY-UHFFFAOYSA-N 1 0 503.002 6.403 1 0 KKAFRO CC[NH2+]Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000103264907 562822003 /nfs/dbraw/zinc/82/20/03/562822003.db2.gz RZUJEQPYLDNKDJ-UHFFFAOYSA-N 1 0 535.570 6.764 1 0 KKAFRO Cc1ccc(C[N@@H+](C)C(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264960 562822047 /nfs/dbraw/zinc/82/20/47/562822047.db2.gz SMSVZCPUPBAYIR-UHFFFAOYSA-N 1 0 563.624 7.495 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1ccncc1Cl)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283338 562823678 /nfs/dbraw/zinc/82/36/78/562823678.db2.gz IRIWJXZITBMJPY-SEDKXUNQSA-N 1 0 603.388 6.641 1 0 KKAFRO Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@@H]1CCCC[N@H+]1C2 ZINC000113184625 562826310 /nfs/dbraw/zinc/82/63/10/562826310.db2.gz XWPGBIBRTXZJOU-IBGZPJMESA-N 1 0 508.544 5.233 1 0 KKAFRO O=C(c1cnc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000114035045 562826936 /nfs/dbraw/zinc/82/69/36/562826936.db2.gz IBRGZAOFCIFXEB-UHFFFAOYSA-N 1 0 539.598 6.411 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(N5CC[NH+](C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000114038612 562827360 /nfs/dbraw/zinc/82/73/60/562827360.db2.gz GLHROWBUCMOGNC-UHFFFAOYSA-N 1 0 528.052 6.281 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000114098956 562827529 /nfs/dbraw/zinc/82/75/29/562827529.db2.gz RXVLLQQUQSKKRR-RUZDIDTESA-N 1 0 508.106 6.433 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)C[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000114097506 562827582 /nfs/dbraw/zinc/82/75/82/562827582.db2.gz ASMVRJQSDPPCKK-KRWDZBQOSA-N 1 0 523.457 5.294 1 0 KKAFRO COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099604 562827650 /nfs/dbraw/zinc/82/76/50/562827650.db2.gz UVFGVILYSLAPSS-JOCHJYFZSA-N 1 0 501.067 5.325 1 0 KKAFRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099586 562827658 /nfs/dbraw/zinc/82/76/58/562827658.db2.gz JLCSBEYIVBVEFV-HSZRJFAPSA-N 1 0 515.094 5.715 1 0 KKAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000114349940 562828127 /nfs/dbraw/zinc/82/81/27/562828127.db2.gz BMYPGRZADREWCU-QHCPKHFHSA-N 1 0 536.558 5.105 1 0 KKAFRO FC(F)(F)c1ccc(C(CCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817127 562828471 /nfs/dbraw/zinc/82/84/71/562828471.db2.gz BNDIHOOJRFACGT-UHFFFAOYSA-N 1 0 544.583 8.997 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(CCF)cc1 ZINC000114978416 562828514 /nfs/dbraw/zinc/82/85/14/562828514.db2.gz CLVSSOLRMIECIW-MUUNZHRXSA-N 1 0 543.104 5.518 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc2ccccc2c1 ZINC000114978364 562828533 /nfs/dbraw/zinc/82/85/33/562828533.db2.gz QVCXNSZTYPKKBM-PMERELPUSA-N 1 0 547.120 6.159 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978904 562828584 /nfs/dbraw/zinc/82/85/84/562828584.db2.gz JNHNPCGNAQZXRG-BVRKHOPBSA-N 1 0 624.203 5.358 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccccc1Cl ZINC000114979411 562828589 /nfs/dbraw/zinc/82/85/89/562828589.db2.gz KLGCZAQETFTCQS-AREMUKBSSA-N 1 0 531.505 5.659 1 0 KKAFRO CCCS(=O)(=O)Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1 ZINC000114980572 562828629 /nfs/dbraw/zinc/82/86/29/562828629.db2.gz QQWPMKIOTISDDY-AREMUKBSSA-N 1 0 512.075 5.988 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)nc1 ZINC000114980289 562828656 /nfs/dbraw/zinc/82/86/56/562828656.db2.gz CDKYEKSHRQNZBA-RUZDIDTESA-N 1 0 532.493 5.054 1 0 KKAFRO COc1ccccc1NS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114984813 562828727 /nfs/dbraw/zinc/82/87/27/562828727.db2.gz RNVUOYZLPFCBTM-MUUNZHRXSA-N 1 0 541.113 5.868 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1c(Cl)nc2sccn21 ZINC000117350928 562829755 /nfs/dbraw/zinc/82/97/55/562829755.db2.gz WTRRMIIIWYZWES-JOCHJYFZSA-N 1 0 577.559 5.369 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118819710 562830746 /nfs/dbraw/zinc/83/07/46/562830746.db2.gz VGLGNSRSXLUAAG-ALRGGUNWSA-N 1 0 604.191 6.866 1 0 KKAFRO C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000118921177 562830945 /nfs/dbraw/zinc/83/09/45/562830945.db2.gz SHJJWNZZBFZGIB-BCKXZGFCSA-N 1 0 542.761 5.050 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@@H]3C)n1 ZINC000138445165 562831846 /nfs/dbraw/zinc/83/18/46/562831846.db2.gz YCYJCQNPVKDAGA-QGZVFWFLSA-N 1 0 616.616 5.350 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2-c2ccon2)n1 ZINC000138517802 562831966 /nfs/dbraw/zinc/83/19/66/562831966.db2.gz DANBJJPBOFDHRV-UHFFFAOYSA-N 1 0 568.556 5.519 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[NH+](C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960167 562832241 /nfs/dbraw/zinc/83/22/41/562832241.db2.gz PZINVJUNZRLUIM-WJOKGBTCSA-N 1 0 547.707 5.856 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2ccncc2)n1 ZINC000138993645 562832286 /nfs/dbraw/zinc/83/22/86/562832286.db2.gz GMYQHOQOEQWZGN-LJAQVGFWSA-N 1 0 519.653 5.078 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[C@@H]([NH+](C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993377 562832290 /nfs/dbraw/zinc/83/22/90/562832290.db2.gz PANUCCHSDROJBK-VIZCGCQYSA-N 1 0 533.680 5.466 1 0 KKAFRO CN1c2ccc(OCCC[N@H+](CCc3cccnc3)Cc3ccnc4ccccc34)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139546382 562832561 /nfs/dbraw/zinc/83/25/61/562832561.db2.gz XBZJJZVSPQGOOM-UHFFFAOYSA-N 1 0 551.691 5.109 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140447721 562833042 /nfs/dbraw/zinc/83/30/42/562833042.db2.gz BVAFOIYVJDIOLI-LBNVMWSVSA-N 1 0 551.580 5.781 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000140476729 562833085 /nfs/dbraw/zinc/83/30/85/562833085.db2.gz GUMNUIVKTFMZDK-ICPXXKLASA-N 1 0 547.655 5.490 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@@H+]2C ZINC000140620315 562833236 /nfs/dbraw/zinc/83/32/36/562833236.db2.gz BHKDMCGCJODKJK-LILSUDLASA-N 1 0 570.265 5.184 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000140621981 562833258 /nfs/dbraw/zinc/83/32/58/562833258.db2.gz KGZHVIDVIHNVRI-UHFFFAOYSA-N 1 0 554.552 5.024 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@H+](CC2CC2)C1 ZINC000140844367 562833315 /nfs/dbraw/zinc/83/33/15/562833315.db2.gz ZQTLLEQBUNKYFU-QHCPKHFHSA-N 1 0 500.483 5.864 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000141604496 562833677 /nfs/dbraw/zinc/83/36/77/562833677.db2.gz PPMXORITWNSKAE-UHFFFAOYSA-N 1 0 577.490 5.914 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3C(=O)N(C)C)c[nH]2)c1 ZINC000142131238 562833952 /nfs/dbraw/zinc/83/39/52/562833952.db2.gz JUKLVJXIJYFWGR-MUUNZHRXSA-N 1 0 558.658 5.589 1 0 KKAFRO C[C@@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CC[NH+](C5CCOCC5)CC4)c3)ncc21 ZINC000143111349 562834642 /nfs/dbraw/zinc/83/46/42/562834642.db2.gz QGZVOUDDTFYAME-HXUWFJFHSA-N 1 0 573.145 5.537 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000143251699 562834872 /nfs/dbraw/zinc/83/48/72/562834872.db2.gz ZBSDELZYHVIJTD-LSYYVWMOSA-N 1 0 551.580 5.923 1 0 KKAFRO CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326443 562836150 /nfs/dbraw/zinc/83/61/50/562836150.db2.gz STDFAKVCYZKPQE-RPWUZVMVSA-N 1 0 527.815 8.587 1 0 KKAFRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145960862 562837851 /nfs/dbraw/zinc/83/78/51/562837851.db2.gz LYNGPWZAZYWOKX-HNNXBMFYSA-N 1 0 575.975 5.256 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145962115 562837855 /nfs/dbraw/zinc/83/78/55/562837855.db2.gz BDXRVKHGZUOTFV-UHFFFAOYSA-N 1 0 625.648 5.542 1 0 KKAFRO CC[NH+]1CCC(NC(=O)c2cc(OC)c(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)cc2Cl)CC1 ZINC000145979407 562837896 /nfs/dbraw/zinc/83/78/96/562837896.db2.gz IPQZUXQCNLEFKG-UHFFFAOYSA-N 1 0 619.044 5.493 1 0 KKAFRO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978013 562837906 /nfs/dbraw/zinc/83/79/06/562837906.db2.gz FNCQKBUUNUZWGP-HXUWFJFHSA-N 1 0 553.585 5.547 1 0 KKAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146057621 562838036 /nfs/dbraw/zinc/83/80/36/562838036.db2.gz XJRWCPZGHQLUHK-USCONSEESA-N 1 0 615.081 5.511 1 0 KKAFRO FC(F)(F)Oc1cccc(-c2csc3ncnc(N4CCC(COCC[NH+]5CCCC5)CC4)c23)c1 ZINC000146476496 562838656 /nfs/dbraw/zinc/83/86/56/562838656.db2.gz PNQDBHKBUDFKST-UHFFFAOYSA-N 1 0 506.594 5.586 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000146815706 562838825 /nfs/dbraw/zinc/83/88/25/562838825.db2.gz AMISYPQMTJLNGZ-NDEPHWFRSA-N 1 0 514.695 6.426 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N(C)CC[NH+]5CCCC5)nc43)c2)cc1C(F)(F)F ZINC000148073521 562840125 /nfs/dbraw/zinc/84/01/25/562840125.db2.gz PYRDSDKNILHXDP-UHFFFAOYSA-N 1 0 584.578 5.114 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC3)nc21 ZINC000148105507 562840266 /nfs/dbraw/zinc/84/02/66/562840266.db2.gz OPWNILBRYHAXRO-UHFFFAOYSA-N 1 0 562.600 5.549 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148114037 562840285 /nfs/dbraw/zinc/84/02/85/562840285.db2.gz GLLGGKMKBAKUPZ-UHFFFAOYSA-N 1 0 608.644 6.277 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148154359 562840341 /nfs/dbraw/zinc/84/03/41/562840341.db2.gz LOLPWVLKMOEDAR-UHFFFAOYSA-N 1 0 593.658 5.341 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148155072 562840377 /nfs/dbraw/zinc/84/03/77/562840377.db2.gz DGLXHYSQPSEHFA-UHFFFAOYSA-N 1 0 630.679 5.748 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148204859 562840562 /nfs/dbraw/zinc/84/05/62/562840562.db2.gz QSIALDLOYSQWDA-UHFFFAOYSA-N 1 0 558.996 5.394 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC([NH+]4CCCC4)CC3)nc21 ZINC000148320580 562841003 /nfs/dbraw/zinc/84/10/03/562841003.db2.gz RVCMLESCMBIMND-UHFFFAOYSA-N 1 0 555.687 5.074 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Sc2ccccc2)n1 ZINC000148457133 562841355 /nfs/dbraw/zinc/84/13/55/562841355.db2.gz PMCHLZDJYXKPOE-UHFFFAOYSA-N 1 0 517.577 5.223 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(F)c2C(C)=O)n1 ZINC000148452569 562841357 /nfs/dbraw/zinc/84/13/57/562841357.db2.gz SWBMJIMNIMSJGP-UHFFFAOYSA-N 1 0 561.536 5.206 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc5c4ccn5Cc4ccccc4F)CC3)cc2N1 ZINC000148608598 562841506 /nfs/dbraw/zinc/84/15/06/562841506.db2.gz TUDBHIHVRZUNSF-UHFFFAOYSA-N 1 0 526.656 5.695 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000148607062 562841526 /nfs/dbraw/zinc/84/15/26/562841526.db2.gz LQJLPHKCTDJNTM-HSZRJFAPSA-N 1 0 512.094 5.000 1 0 KKAFRO CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2OC)ncc1Cl ZINC000148734657 562841704 /nfs/dbraw/zinc/84/17/04/562841704.db2.gz XBAUQTADQOFONU-UHFFFAOYSA-N 1 0 612.159 5.870 1 0 KKAFRO C[C@@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1)[C@@H](C)CCCc1ccc(F)cc1 ZINC000148778696 562841775 /nfs/dbraw/zinc/84/17/75/562841775.db2.gz NNWHHZWGFMXAIM-BJKOFHAPSA-N 1 0 513.697 8.124 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000148843595 562841907 /nfs/dbraw/zinc/84/19/07/562841907.db2.gz SVZJPUWYVAXFNM-DEOSSOPVSA-N 1 0 513.078 5.333 1 0 KKAFRO Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CC[NH+](C7CCCC7)CC6)ccc5[nH]4)c3N)ccc2[nH]1 ZINC000150123919 562842877 /nfs/dbraw/zinc/84/28/77/562842877.db2.gz LXTAEWHGOAKRPZ-UHFFFAOYSA-N 1 0 507.642 5.474 1 0 KKAFRO O=C(c1sc2ccccc2c1Cl)N1C[C@H]2C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]2C12CC[NH2+]CC2 ZINC000150353077 562843272 /nfs/dbraw/zinc/84/32/72/562843272.db2.gz YOFWXHCWDOJSFS-UYAOXDASSA-N 1 0 630.010 5.972 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCCNc5ccnc6cc(Cl)ccc65)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000150532521 562843833 /nfs/dbraw/zinc/84/38/33/562843833.db2.gz MNYAZXCYCZRXBR-VLWXAIMPSA-N 1 0 666.347 8.438 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)OCc1ccccc1 ZINC000150535580 562843925 /nfs/dbraw/zinc/84/39/25/562843925.db2.gz NVGYFAPGGPROBP-QVRIRJLUSA-N 1 0 643.832 7.391 1 0 KKAFRO COc1ccc(C(OC(=O)[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150546901 562844483 /nfs/dbraw/zinc/84/44/83/562844483.db2.gz NTQAMCUPIBQLDW-CZFDWHEASA-N 1 0 701.857 7.626 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586039 562845841 /nfs/dbraw/zinc/84/58/41/562845841.db2.gz XUEBXQWSAJBKJO-DYKQPOOOSA-N 1 0 741.878 6.253 1 0 KKAFRO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)o1 ZINC000150587902 562845946 /nfs/dbraw/zinc/84/59/46/562845946.db2.gz MXRJOIUHKRRDJE-UUWRZZSWSA-N 1 0 753.244 8.085 1 0 KKAFRO COc1ccc([C@@H]2S[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588787 562846010 /nfs/dbraw/zinc/84/60/10/562846010.db2.gz POYPFFFZHMNIBL-UVNLRBHVSA-N 1 0 771.904 6.261 1 0 KKAFRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CC6(CN5C(=O)[C@@H](NC(=O)OC)C(C)C)CC[NH2+]CC6)n4)cc3)cc2)c[nH]1)C(C)C ZINC000150602430 562847319 /nfs/dbraw/zinc/84/73/19/562847319.db2.gz HKAWUDAITRQWJJ-BQYLNSIHSA-N 1 0 807.997 6.202 1 0 KKAFRO C[NH+]1CCN(c2cc(F)ccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606253 562847875 /nfs/dbraw/zinc/84/78/75/562847875.db2.gz JQVJIZRMTCKEHP-QIKUIUABSA-N 1 0 664.892 5.428 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000162978667 562849313 /nfs/dbraw/zinc/84/93/13/562849313.db2.gz YEXFVLALHJYYJX-MHZLTWQESA-N 1 0 655.265 6.353 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529100 562849370 /nfs/dbraw/zinc/84/93/70/562849370.db2.gz ZOZVPIRGEIVLGJ-JOCHJYFZSA-N 1 0 649.722 5.215 1 0 KKAFRO C[C@@H]1CN(Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5csc(CO)n5)CC4)c3)cc2)C[C@H](C)[NH2+]1 ZINC000163635127 562849379 /nfs/dbraw/zinc/84/93/79/562849379.db2.gz SGFUDHJHEHBYDF-FKYXBBJVSA-N 1 0 672.827 5.282 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000164772466 562849747 /nfs/dbraw/zinc/84/97/47/562849747.db2.gz FKSNZSZSJXYTNP-HYDRXBKYSA-N 1 0 675.673 6.227 1 0 KKAFRO Cc1cccc(-c2nnc(C3C[NH+](Cc4ccc(-c5nc6nc(-c7ccccn7)nn6c(NC(C)C)c5-c5ccccc5)cc4)C3)[nH]2)n1 ZINC000167403588 562850759 /nfs/dbraw/zinc/85/07/59/562850759.db2.gz YDQGQHBPNSJCQU-UHFFFAOYSA-N 1 0 633.764 6.429 1 0 KKAFRO Cc1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)nc2n1 ZINC000167531308 562850930 /nfs/dbraw/zinc/85/09/30/562850930.db2.gz CIRLUEPNSNWHDA-UHFFFAOYSA-N 1 0 512.621 5.460 1 0 KKAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000168183210 562851250 /nfs/dbraw/zinc/85/12/50/562851250.db2.gz WTOWTZMLDHRNCU-DWIUIHLMSA-N 1 0 552.641 5.608 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290860 562851820 /nfs/dbraw/zinc/85/18/20/562851820.db2.gz KIMKESVEZODZRF-ISKFKSNPSA-N 1 0 526.690 6.012 1 0 KKAFRO O=C(Nc1ccccc1)N[C@@H]1CC[N@@H+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000169294204 562852191 /nfs/dbraw/zinc/85/21/91/562852191.db2.gz MENBXQWQAZNXTG-RNAHPLFWSA-N 1 0 567.517 5.647 1 0 KKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](CC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000169295661 562852384 /nfs/dbraw/zinc/85/23/84/562852384.db2.gz VXGFPSFJYWTKHV-RNWIMVQKSA-N 1 0 741.604 8.313 1 0 KKAFRO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12c1ccccc1NC2=O ZINC000169298814 562852689 /nfs/dbraw/zinc/85/26/89/562852689.db2.gz BGGPCEJFXRSBSI-MMJPGJBOSA-N 1 0 516.597 5.405 1 0 KKAFRO COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H]([NH2+]CCNc5ccnc6cc(Cl)ccc65)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000169302191 562853023 /nfs/dbraw/zinc/85/30/23/562853023.db2.gz KRNXBGIVMRDNEB-IDQLPAOKSA-N 1 0 710.356 7.590 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302338 562853069 /nfs/dbraw/zinc/85/30/69/562853069.db2.gz MOICQXYIHUWVTB-YWBKZELNSA-N 1 0 694.357 8.007 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000169303056 562853175 /nfs/dbraw/zinc/85/31/75/562853175.db2.gz XLKLAZAHFQQTJT-RUZDIDTESA-N 1 0 527.974 6.509 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@@H]1c1ccccc1 ZINC000169304065 562853270 /nfs/dbraw/zinc/85/32/70/562853270.db2.gz SAFQJLYRLZHJBX-RUZDIDTESA-N 1 0 561.526 6.874 3 0 KKAFRO Clc1ccc(-c2cc([C@@H]3CC[C@@H]([NH+]4CCOCC4)C[C@H]3c3ccc(Br)cc3)[nH]n2)cc1 ZINC000169306836 562853639 /nfs/dbraw/zinc/85/36/39/562853639.db2.gz JRHOULHSTFCZPI-ZLNRFVROSA-N 1 0 500.868 6.245 1 0 KKAFRO CC1(C)C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)N1CCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000169311327 562855165 /nfs/dbraw/zinc/85/51/65/562855165.db2.gz REVBYZKDRADBBG-UHFFFAOYSA-N 1 0 586.391 6.836 1 0 KKAFRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317494 562855950 /nfs/dbraw/zinc/85/59/50/562855950.db2.gz GLCDSMRSFSVQSW-RPLLCQBOSA-N 1 0 516.560 5.546 1 0 KKAFRO CC[C@@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319053 562856146 /nfs/dbraw/zinc/85/61/46/562856146.db2.gz KDMFAGDJSAXTOU-YENTXNKWSA-N 1 0 590.884 5.037 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5c(cc(F)cc5F)n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321702 562856737 /nfs/dbraw/zinc/85/67/37/562856737.db2.gz NAGSCCRSHRFUSD-UHFFFAOYSA-N 1 0 582.626 7.012 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322872 562856902 /nfs/dbraw/zinc/85/69/02/562856902.db2.gz BXXHOABERBGUQR-UHFFFAOYSA-N 1 0 696.380 9.987 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324417 562857332 /nfs/dbraw/zinc/85/73/32/562857332.db2.gz LDXYGTJNLGRHJD-UHFFFAOYSA-N 1 0 577.773 6.993 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169324451 562857366 /nfs/dbraw/zinc/85/73/66/562857366.db2.gz FYPLUYWNEWRQIA-UHFFFAOYSA-N 1 0 584.164 6.866 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324443 562857372 /nfs/dbraw/zinc/85/73/72/562857372.db2.gz SAXDXBYFFVMTOF-UHFFFAOYSA-N 1 0 619.854 8.163 1 0 KKAFRO Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cc(F)cc(Cl)c4)c3Br)C2)c(=O)[nH]c1=O ZINC000169325525 562857603 /nfs/dbraw/zinc/85/76/03/562857603.db2.gz FSFIZDWEPGSPBT-SFHVURJKSA-N 1 0 522.802 5.029 1 0 KKAFRO Cc1cc(C)c2c(N)c(C(=O)NCCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)sc2n1 ZINC000169325642 562857646 /nfs/dbraw/zinc/85/76/46/562857646.db2.gz YEDOJNFKHXVFHD-UHFFFAOYSA-N 1 0 520.530 5.524 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4Br)C3)cc2s1)C1CCCC1 ZINC000169327425 562858093 /nfs/dbraw/zinc/85/80/93/562858093.db2.gz DGHMJLURKSSNIB-GGAORHGYSA-N 1 0 605.602 7.628 1 0 KKAFRO O=C(Nc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccnc5ccccc45)C3)sc2c1)C1CCCC1 ZINC000169327476 562858103 /nfs/dbraw/zinc/85/81/03/562858103.db2.gz SWEFVMFAROCQGS-IRLDBZIGSA-N 1 0 527.694 6.260 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2)C[C@H]1[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327528 562858118 /nfs/dbraw/zinc/85/81/18/562858118.db2.gz TYNQIXXVTVDHLT-CEUYOYMZSA-N 1 0 548.683 6.263 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccnc5ccccc45)C3)cc2s1)C1CCCC1 ZINC000169327454 562858119 /nfs/dbraw/zinc/85/81/19/562858119.db2.gz YXOULWPZPKPPEU-IRLDBZIGSA-N 1 0 527.694 6.260 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000169333829 562859340 /nfs/dbraw/zinc/85/93/40/562859340.db2.gz JTUJMPNBBGEMHP-SSEXGKCCSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(OC)ccc21 ZINC000169333921 562859385 /nfs/dbraw/zinc/85/93/85/562859385.db2.gz WCUVKOOSBQKUGL-PMERELPUSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169334582 562859505 /nfs/dbraw/zinc/85/95/05/562859505.db2.gz IAMUJAMDHJPCAY-FGHPEZLKSA-N 1 0 503.558 7.945 1 0 KKAFRO CCCC(CCC)[NH2+]C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335320 562859631 /nfs/dbraw/zinc/85/96/31/562859631.db2.gz VTTDAYMUVZQRAT-AREMUKBSSA-N 1 0 524.549 8.045 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335716 562859678 /nfs/dbraw/zinc/85/96/78/562859678.db2.gz JSXJKQTXXLTQIQ-HHHXNRCGSA-N 1 0 515.923 7.767 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335752 562859733 /nfs/dbraw/zinc/85/97/33/562859733.db2.gz CYMRFTNYLXLDSL-MHZLTWQESA-N 1 0 539.469 8.677 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)C[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000169338022 562860204 /nfs/dbraw/zinc/86/02/04/562860204.db2.gz VYAUYFLQSXKPRH-QVKFZJNVSA-N 1 0 511.466 6.090 1 0 KKAFRO C[C@@H]([N@@H+]1CCc2sc(-c3cccc(Cl)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344457 562861340 /nfs/dbraw/zinc/86/13/40/562861340.db2.gz LCFOUYCFWOOQNN-PUAOIOHZSA-N 1 0 501.002 5.273 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2ccc(-c3cnn(C)c3)cc2)cc1F ZINC000169345208 562861534 /nfs/dbraw/zinc/86/15/34/562861534.db2.gz DCZPJWOVYXWMRG-UHFFFAOYSA-N 1 0 660.772 5.392 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4cccc(Cl)c4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347493 562861966 /nfs/dbraw/zinc/86/19/66/562861966.db2.gz JUZZFDXQNFCXIM-UHFFFAOYSA-N 1 0 594.612 8.493 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348461 562862255 /nfs/dbraw/zinc/86/22/55/562862255.db2.gz IKBYBHBSZPXPIL-BHVANESWSA-N 1 0 660.859 6.502 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(=O)cc2C)cc1F ZINC000169350717 562862905 /nfs/dbraw/zinc/86/29/05/562862905.db2.gz MKIUQQULMXHCND-UHFFFAOYSA-N 1 0 706.602 7.843 1 0 KKAFRO Cc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OCCC[NH+]4CCC(C)CC4)ccc32)c(F)c1 ZINC000169350718 562862920 /nfs/dbraw/zinc/86/29/20/562862920.db2.gz YIJZSESZNCHBPL-UHFFFAOYSA-N 1 0 621.713 6.774 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CC[NH+](C)C)c2)nc1 ZINC000169352892 562863308 /nfs/dbraw/zinc/86/33/08/562863308.db2.gz JPYUSZIWNUNSCD-UHFFFAOYSA-N 1 0 605.621 5.942 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@@H]([C@@H]3CCC[NH2+]C3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353005 562863337 /nfs/dbraw/zinc/86/33/37/562863337.db2.gz XFKBTTLKRPNYMX-VZWFPNHASA-N 1 0 603.770 8.388 1 0 KKAFRO c1ccc(-c2nc3ccccc3n2[C@@H](COc2ccc(-c3nc4ccccc4n3Cc3cccnc3)cc2)C2CC[NH2+]CC2)cc1 ZINC000169353011 562863346 /nfs/dbraw/zinc/86/33/46/562863346.db2.gz CPJXIJQNXDZMAD-QNGWXLTQSA-N 1 0 604.758 7.783 1 0 KKAFRO O=C(OC[C@H]([C@@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353030 562863383 /nfs/dbraw/zinc/86/33/83/562863383.db2.gz OVBWQROKKIVGSL-WECIHKQLSA-N 1 0 638.816 7.102 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000169365433 562864438 /nfs/dbraw/zinc/86/44/38/562864438.db2.gz GGRJANYEADBCKA-VZVHPENPSA-N 1 0 572.672 5.095 1 0 KKAFRO Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(C(=O)N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697641 562866521 /nfs/dbraw/zinc/86/65/21/562866521.db2.gz AGFPUGFDIATFEQ-UHFFFAOYSA-N 1 0 628.781 5.145 1 0 KKAFRO O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000169701282 562867991 /nfs/dbraw/zinc/86/79/91/562867991.db2.gz FXJNQJYEWRFHCH-BXXSPATCSA-N 1 0 559.854 6.107 1 0 KKAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+][C@H](CC2CCCC2)[C@]2(CNc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169701399 562868028 /nfs/dbraw/zinc/86/80/28/562868028.db2.gz MIXMBJVFBHEWEI-KMXBVAHZSA-N 1 0 560.541 5.920 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cc(C)ccc1Cl)CC2 ZINC000169702194 562868259 /nfs/dbraw/zinc/86/82/59/562868259.db2.gz SSOOUEZQMNNMNK-UHFFFAOYSA-N 1 0 545.087 5.831 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702407 562868331 /nfs/dbraw/zinc/86/83/31/562868331.db2.gz INMPZYGTGINAOP-HXUWFJFHSA-N 1 0 614.194 6.602 1 0 KKAFRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3Cl)C[C@H]4C)c(OC)c2)CC1 ZINC000169702413 562868335 /nfs/dbraw/zinc/86/83/35/562868335.db2.gz IZXDQHFACWSTOE-HXUWFJFHSA-N 1 0 616.166 5.450 1 0 KKAFRO Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703065 562868541 /nfs/dbraw/zinc/86/85/41/562868541.db2.gz OYOLZSBUDJURME-UHFFFAOYSA-N 1 0 626.410 6.584 1 0 KKAFRO O=S1(=O)CCC([NH2+]C2CCC(Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)CC1 ZINC000169703851 562868858 /nfs/dbraw/zinc/86/88/58/562868858.db2.gz AIMSOUZQALDLOA-UHFFFAOYSA-N 1 0 582.598 5.179 1 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705438 562869363 /nfs/dbraw/zinc/86/93/63/562869363.db2.gz MJVWLQDZDLHULW-QFIPXVFZSA-N 1 0 513.989 5.774 1 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705442 562869367 /nfs/dbraw/zinc/86/93/67/562869367.db2.gz SLDHXOHIMFEVPD-DEOSSOPVSA-N 1 0 542.043 6.258 1 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705439 562869374 /nfs/dbraw/zinc/86/93/74/562869374.db2.gz IOHUBRSXDOQTML-HSZRJFAPSA-N 1 0 528.016 6.234 1 0 KKAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705469 562869382 /nfs/dbraw/zinc/86/93/82/562869382.db2.gz HKZYTKQFISYGFA-OAQYLSRUSA-N 1 0 517.952 5.605 1 0 KKAFRO CCN1c2ccc(OCCC[N@H+](CCn3ccc4ccccc4c3=O)Cc3ccsc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198503562 562872754 /nfs/dbraw/zinc/87/27/54/562872754.db2.gz KYZSDKSHODHMRD-UHFFFAOYSA-N 1 0 586.758 5.390 1 0 KKAFRO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000198683431 562872812 /nfs/dbraw/zinc/87/28/12/562872812.db2.gz OXCAKDYULKMTMJ-PFFFZIHFSA-N 1 0 623.823 5.516 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(NCCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000200177188 562873269 /nfs/dbraw/zinc/87/32/69/562873269.db2.gz PWZDNWLBUVGUCZ-UHFFFAOYSA-N 1 0 548.772 6.367 1 0 KKAFRO C[NH2+][C@H]1C[C@@H](C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N(C(=O)N(C)Cc2csc(C(C)C)n2)C1 ZINC000200629192 562873403 /nfs/dbraw/zinc/87/34/03/562873403.db2.gz HQAFPESZZWFRFI-XDUPDYOVSA-N 1 0 731.989 5.983 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1 ZINC000200764877 562873423 /nfs/dbraw/zinc/87/34/23/562873423.db2.gz TYYJYNQSJRUHFJ-UHFFFAOYSA-N 1 0 575.660 5.748 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000203796980 562874169 /nfs/dbraw/zinc/87/41/69/562874169.db2.gz WKKSKJNWVQVTNS-LJQANCHMSA-N 1 0 518.017 5.538 1 0 KKAFRO C[N@@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874232 /nfs/dbraw/zinc/87/42/32/562874232.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N 1 0 520.008 6.199 1 0 KKAFRO CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CCCC3)cnc3ccc(-c4ccc(O)c(Cl)c4)cc32)CC1 ZINC000203988633 562874257 /nfs/dbraw/zinc/87/42/57/562874257.db2.gz DZDARFCJHZAVHT-UHFFFAOYSA-N 1 0 520.117 7.699 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@@H]4C4CC[NH+](C(C)C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204423339 562874460 /nfs/dbraw/zinc/87/44/60/562874460.db2.gz ISXYXKQLSVMWTK-AREMUKBSSA-N 1 0 503.695 5.180 1 0 KKAFRO CCN(c1cc(-c2ccc(C[N@@H+]3CCC[C@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205713452 562875714 /nfs/dbraw/zinc/87/57/14/562875714.db2.gz NYIQADRVZZYULE-LJAQVGFWSA-N 1 0 588.768 5.836 1 0 KKAFRO Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCC[NH+](C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205978021 562876040 /nfs/dbraw/zinc/87/60/40/562876040.db2.gz MDDWRIHIIAFAGR-NDEPHWFRSA-N 1 0 614.834 7.879 1 0 KKAFRO Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc2C1 ZINC000206214209 562876435 /nfs/dbraw/zinc/87/64/35/562876435.db2.gz CEINQDWSZHAZSK-QFIPXVFZSA-N 1 0 582.671 6.093 1 0 KKAFRO Clc1ccc(Oc2ccc3nc(-c4ccc(OCCC[NH+]5CCN(c6ccccc6)CC5)cc4)oc3c2)cc1 ZINC000206749778 562876507 /nfs/dbraw/zinc/87/65/07/562876507.db2.gz CWAUQNONVCKNPS-UHFFFAOYSA-N 1 0 540.063 7.532 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718699 562876517 /nfs/dbraw/zinc/87/65/17/562876517.db2.gz IBBMVDZVJHYHGH-HSZRJFAPSA-N 1 0 564.082 7.308 1 0 KKAFRO C[C@H]([NH2+]CCC1OCC(C)(C)CO1)C(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000209631477 562876907 /nfs/dbraw/zinc/87/69/07/562876907.db2.gz JVVLEVVEWJKNAY-TUBQVXALSA-N 1 0 752.949 6.568 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3cc(COc4ccccc4NC(=O)c4ccccc4)nn3)cc1)CC2 ZINC000209632873 562876922 /nfs/dbraw/zinc/87/69/22/562876922.db2.gz MTZFMAOBMQJWLH-UHFFFAOYSA-N 1 0 589.696 5.717 1 0 KKAFRO O=C(/C=C/C[NH+]1CCCCC1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000214018807 562877267 /nfs/dbraw/zinc/87/72/67/562877267.db2.gz CROUCCLWECZKHT-PXPVJAHISA-N 1 0 526.012 5.314 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000215726605 562877426 /nfs/dbraw/zinc/87/74/26/562877426.db2.gz BSUROGRRTPDFFP-UHFFFAOYSA-N 1 0 520.073 6.174 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219353419 562878095 /nfs/dbraw/zinc/87/80/95/562878095.db2.gz PRLCXMCWAAOYGC-UHFFFAOYSA-N 1 0 532.044 5.656 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219350803 562878098 /nfs/dbraw/zinc/87/80/98/562878098.db2.gz GGFWXWRBUCEBMY-UHFFFAOYSA-N 1 0 503.990 5.020 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221084250 562878776 /nfs/dbraw/zinc/87/87/76/562878776.db2.gz SSHNWZWLAACLAH-LJZNKEDUSA-N 1 0 560.085 5.036 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1F ZINC000222186082 562879775 /nfs/dbraw/zinc/87/97/75/562879775.db2.gz LSMQAIIXZQNXQM-UHFFFAOYSA-N 1 0 610.690 6.571 1 0 KKAFRO Cc1ccc(-c2c3nc(-c4ccncc4)nc(NC[C@@H]([NH3+])Cc4ccccc4)c3sc2C(C)(C)C)s1 ZINC000223677499 562880165 /nfs/dbraw/zinc/88/01/65/562880165.db2.gz RCVPMEIPVMTONO-NRFANRHFSA-N 1 0 513.736 7.070 1 0 KKAFRO CCOP(=O)(OCC)OC[C@@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1 ZINC000223836367 562880188 /nfs/dbraw/zinc/88/01/88/562880188.db2.gz LVYJQIAVQPOJFR-DDJVEYHLSA-N 1 0 706.551 6.087 1 0 KKAFRO C[NH+]1CCC(c2cc3c(nccc3-c3nc(NCc4cccc(S(C)(=O)=O)c4)ccc3Cl)[nH]2)CC1 ZINC000226044683 562880893 /nfs/dbraw/zinc/88/08/93/562880893.db2.gz KJLPGYJXHUHGNJ-UHFFFAOYSA-N 1 0 510.063 5.103 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000253639383 562882540 /nfs/dbraw/zinc/88/25/40/562882540.db2.gz SZHLSHQSEDXOSN-BBACVFHCSA-N 1 0 572.746 6.158 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000253639381 562882550 /nfs/dbraw/zinc/88/25/50/562882550.db2.gz SZHLSHQSEDXOSN-AYXCPNKJSA-N 1 0 572.746 6.158 1 0 KKAFRO CC(C)n1cnc2c1nc(N[C@H]1CC[C@H]([NH2+]CC3CC3)CC1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000253679527 562882804 /nfs/dbraw/zinc/88/28/04/562882804.db2.gz XERIEKBXOVFKSW-MCZWQBSQSA-N 1 0 509.702 6.409 1 0 KKAFRO CO[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H]([NH+]3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253679918 562882815 /nfs/dbraw/zinc/88/28/15/562882815.db2.gz WCNNBKIYWOWYQW-NAYUSWPISA-N 1 0 624.666 7.139 1 0 KKAFRO CC(C)[NH2+]CCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299827139 562884075 /nfs/dbraw/zinc/88/40/75/562884075.db2.gz GECQJDHEGVDGLS-UHFFFAOYSA-N 1 0 583.560 5.332 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C(C)C)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299827600 562884161 /nfs/dbraw/zinc/88/41/61/562884161.db2.gz GQEOEKDVKQMUMJ-UHFFFAOYSA-N 1 0 568.722 5.232 1 0 KKAFRO C[C@@H]1CC[C@]2(C(=O)NCCC[NH+](C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(F)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299827993 562884282 /nfs/dbraw/zinc/88/42/82/562884282.db2.gz PXAWPXKPLJCZEC-XQTLXTFDSA-N 1 0 629.949 9.046 1 0 KKAFRO O=C(NCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O ZINC000299828381 562884472 /nfs/dbraw/zinc/88/44/72/562884472.db2.gz IFILMVJXWCAHCS-UHFFFAOYSA-N 1 0 539.554 6.131 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299830237 562885180 /nfs/dbraw/zinc/88/51/80/562885180.db2.gz LWTXZPOSBCSMIF-UHFFFAOYSA-N 1 0 543.524 7.453 1 0 KKAFRO C[NH+](C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000299831051 562885418 /nfs/dbraw/zinc/88/54/18/562885418.db2.gz IUDPPAXWQBHYHO-UHFFFAOYSA-N 1 0 516.609 6.078 1 0 KKAFRO COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(C[NH+]4CCN(C)CC4)c3n2C)cc1 ZINC000299831494 562885605 /nfs/dbraw/zinc/88/56/05/562885605.db2.gz QEFLNNDMCNSFHF-UHFFFAOYSA-N 1 0 505.666 5.738 1 0 KKAFRO O=C(CN(CC(=O)NC1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000299833658 562886211 /nfs/dbraw/zinc/88/62/11/562886211.db2.gz VLSQVTUZQYSNHL-UHFFFAOYSA-N 1 0 581.544 5.088 1 0 KKAFRO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299833878 562886304 /nfs/dbraw/zinc/88/63/04/562886304.db2.gz AIZJZYDMFHQQJM-UHFFFAOYSA-N 1 0 689.744 7.000 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299834580 562886493 /nfs/dbraw/zinc/88/64/93/562886493.db2.gz JYMFYUGSUXLOSA-UHFFFAOYSA-N 1 0 664.660 7.200 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299836718 562887285 /nfs/dbraw/zinc/88/72/85/562887285.db2.gz HRUFBZWNNNXHEA-UHFFFAOYSA-N 1 0 766.668 8.390 1 0 KKAFRO Cc1nc(C(=O)NCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299837040 562887368 /nfs/dbraw/zinc/88/73/68/562887368.db2.gz PBXMVNNJJHHBCU-UHFFFAOYSA-N 1 0 561.774 8.414 1 0 KKAFRO CC(C)Oc1ccc(C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)cc1Cl ZINC000299837684 562887612 /nfs/dbraw/zinc/88/76/12/562887612.db2.gz PCUZGOUHCKTGSC-SANMLTNESA-N 1 0 576.059 5.832 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(O)cc1O ZINC000299837872 562887640 /nfs/dbraw/zinc/88/76/40/562887640.db2.gz SGNSAEIAPQQRJE-UHFFFAOYSA-N 1 0 523.633 6.450 1 0 KKAFRO O=c1cc(C[NH2+]CCCCCCNc2ccnc3cc(Cl)ccc32)n(C2CC2)cc1OCc1ccccc1 ZINC000299838138 562887725 /nfs/dbraw/zinc/88/77/25/562887725.db2.gz LIOLOYTVLKUEJJ-UHFFFAOYSA-N 1 0 531.100 6.726 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000299840186 562888424 /nfs/dbraw/zinc/88/84/24/562888424.db2.gz VPVNIFGOWVZDER-UHFFFAOYSA-N 1 0 538.654 7.115 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)ccc6c5=O)c4CO)cn(C)c3=O)nc2)CC1 ZINC000299841296 562888865 /nfs/dbraw/zinc/88/88/65/562888865.db2.gz ZBEHGOVQAUSDTC-UHFFFAOYSA-N 1 0 602.739 5.007 1 0 KKAFRO CC1(C)c2c(ccc3ccccc23)[N+](CCCc2ccccc2)=C1/C=C/C=C/C=C1/N(CCCc2ccccc2)c2ccc3ccccc3c2C1(C)C ZINC000299844579 562889368 /nfs/dbraw/zinc/88/93/68/562889368.db2.gz HPUCPNGOALJZCT-UHFFFAOYSA-N 1 0 691.983 12.429 1 0 KKAFRO Cc1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299846975 562889811 /nfs/dbraw/zinc/88/98/11/562889811.db2.gz BMOJETYKOWBJNF-YZNIXAGQSA-N 1 0 616.688 6.791 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@H]2Cc1ccccc1 ZINC000299847895 562890117 /nfs/dbraw/zinc/89/01/17/562890117.db2.gz WUTQPANFUKXCKM-WCKFKFKXSA-N 1 0 582.810 6.864 1 0 KKAFRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 ZINC000299854719 562891415 /nfs/dbraw/zinc/89/14/15/562891415.db2.gz ALAFKUKJPKPIMA-APJNYFBKSA-N 1 0 530.631 6.079 1 0 KKAFRO Cc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299854971 562891513 /nfs/dbraw/zinc/89/15/13/562891513.db2.gz BWEIIXORLMASDA-UHFFFAOYSA-N 1 0 539.079 6.141 1 0 KKAFRO Cc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12 ZINC000299855794 562891767 /nfs/dbraw/zinc/89/17/67/562891767.db2.gz GGIMIKMBBUHFGD-UHFFFAOYSA-N 1 0 583.530 6.250 1 0 KKAFRO Cc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299855894 562891822 /nfs/dbraw/zinc/89/18/22/562891822.db2.gz HBPQTPNTWDSOAT-UHFFFAOYSA-N 1 0 583.530 6.250 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(Br)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299858106 562892400 /nfs/dbraw/zinc/89/24/00/562892400.db2.gz QKYGOOPYFRJSMB-UHFFFAOYSA-N 1 0 599.529 5.950 1 0 KKAFRO Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3CC[NH+](C)CC3)cc2)n1 ZINC000299858291 562892434 /nfs/dbraw/zinc/89/24/34/562892434.db2.gz DONOECLEYDOSFM-UHFFFAOYSA-N 1 0 567.759 6.501 1 0 KKAFRO Cc1nn(-c2ccc(C(N)=O)c(NC3C[C@H]4CCC[C@@H](C3)C4[NH2+]Cc3ccccc3)c2)c2c1C(=O)CC(C)(C)C2 ZINC000299858561 562892507 /nfs/dbraw/zinc/89/25/07/562892507.db2.gz DTKOWMRRADITCX-FEFMNQKFSA-N 1 0 539.724 5.584 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859217 562892638 /nfs/dbraw/zinc/89/26/38/562892638.db2.gz FMRSUYVTBKFLDM-MHZLTWQESA-N 1 0 620.581 7.839 1 0 KKAFRO Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CCc1ccc(OCc2ccccc2)cc1 ZINC000299860602 562892979 /nfs/dbraw/zinc/89/29/79/562892979.db2.gz JJXYQZNYGWSPCB-HMIRPBQQSA-N 1 0 695.820 6.312 1 0 KKAFRO COc1cc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 ZINC000299861855 562893431 /nfs/dbraw/zinc/89/34/31/562893431.db2.gz MADSOGIZPZGDBU-NBJCSOOUSA-N 1 0 595.681 7.272 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCC[NH+]3CCCC3)O5)ccc2OC)c1 ZINC000299863755 562893910 /nfs/dbraw/zinc/89/39/10/562893910.db2.gz PYMFLVBSZHIWDR-MUUNZHRXSA-N 1 0 583.641 5.305 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000299864117 562894048 /nfs/dbraw/zinc/89/40/48/562894048.db2.gz LZNTUKFMGLSYSB-IEFDIXSJSA-N 1 0 559.710 6.182 1 0 KKAFRO C[NH+](C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299864792 562894200 /nfs/dbraw/zinc/89/42/00/562894200.db2.gz MVEOKWWWGIPPQA-DCERFKFHSA-N 1 0 545.683 5.792 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299866427 562894656 /nfs/dbraw/zinc/89/46/56/562894656.db2.gz OYMLEDQNEGJKIM-UHFFFAOYSA-N 1 0 573.738 5.092 1 0 KKAFRO C[N@H+]1CC=C(c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)CC1 ZINC000299867560 562894888 /nfs/dbraw/zinc/89/48/88/562894888.db2.gz QHMGDMJRYVRKIL-UHFFFAOYSA-N 1 0 521.596 5.157 1 0 KKAFRO [NH3+][C@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869025 562895228 /nfs/dbraw/zinc/89/52/28/562895228.db2.gz SZSYIYAPDDFJLI-QHCPKHFHSA-N 1 0 520.464 6.273 1 0 KKAFRO O=c1sc2ccccc2n1CCCCCCN1CC[NH+](CCCCCCn2c3ccccc3sc2=O)CC1 ZINC000473084581 562896912 /nfs/dbraw/zinc/89/69/12/562896912.db2.gz RXZPCJAIIANRCD-UHFFFAOYSA-N 1 0 552.810 5.878 1 0 KKAFRO CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(ccnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473093465 562897762 /nfs/dbraw/zinc/89/77/62/562897762.db2.gz UHYFXOCDZTVOCT-UHFFFAOYSA-N 1 0 631.173 7.343 1 0 KKAFRO Oc1ccc(C[C@H]2C[NH+]=C3C=C4N(CCc5ccccc5)[C@@H](Cc5ccc(O)cc5)CN4[C@@H](Cc4ccc(O)cc4)CN32)cc1 ZINC000473097959 562898002 /nfs/dbraw/zinc/89/80/02/562898002.db2.gz DXRGLCFSUDVPOX-ZDCRTTOTSA-N 1 0 600.763 5.367 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCCn3cc(-c4ccc(-c5ccccc5)cc4)nn3)CC2)c1Cl ZINC000473102037 562898077 /nfs/dbraw/zinc/89/80/77/562898077.db2.gz LIJZDQUYGUZHCR-UHFFFAOYSA-N 1 0 506.481 6.521 1 0 KKAFRO O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 ZINC000473104326 562898157 /nfs/dbraw/zinc/89/81/57/562898157.db2.gz PEAXKZJSQUEGLG-HHHXNRCGSA-N 1 0 574.590 6.043 1 0 KKAFRO COc1cc2oc(-c3ccc(OCCCCCC[N@H+](C)Cc4ccccc4)cc3)cc(=O)c2c(OC)c1OC ZINC000473112460 562898695 /nfs/dbraw/zinc/89/86/95/562898695.db2.gz DZMRMIOJIWWZHJ-UHFFFAOYSA-N 1 0 531.649 6.557 1 0 KKAFRO CC[N@H+](CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473112613 562898715 /nfs/dbraw/zinc/89/87/15/562898715.db2.gz FSJJWJHXXNEXEV-UHFFFAOYSA-N 1 0 545.676 6.947 1 0 KKAFRO CC[NH+](CC)CCNC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000473113812 562898820 /nfs/dbraw/zinc/89/88/20/562898820.db2.gz KMPJGKNDCOTNMA-UHFFFAOYSA-N 1 0 577.107 5.415 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 ZINC000473114946 562898993 /nfs/dbraw/zinc/89/89/93/562898993.db2.gz PNNFMBPNANXPPI-UHFFFAOYSA-N 1 0 505.567 5.092 1 0 KKAFRO COc1cc2oc(-c3cccc(OCCCCCC[NH+]4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473115371 562899048 /nfs/dbraw/zinc/89/90/48/562899048.db2.gz SIMKSJKAOPAQBM-UHFFFAOYSA-N 1 0 586.729 6.243 1 0 KKAFRO C/C=C/[C@@H](O)[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1)C1CCCCC1 ZINC000473115914 562899096 /nfs/dbraw/zinc/89/90/96/562899096.db2.gz VQUPFINQQWGWJI-KMANDWRCSA-N 1 0 706.921 6.147 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 ZINC000473116243 562899108 /nfs/dbraw/zinc/89/91/08/562899108.db2.gz VZMFKDNJVVZKID-UHFFFAOYSA-N 1 0 505.567 5.092 1 0 KKAFRO CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c3c(-c3ccc(Oc4ccccc4)cc3)ccc2C(N)=O)CC1 ZINC000473123146 562899514 /nfs/dbraw/zinc/89/95/14/562899514.db2.gz KSGQEFQJEHUQQJ-UHFFFAOYSA-N 1 0 504.590 5.267 1 0 KKAFRO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@H+](CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1 ZINC000473134084 562900460 /nfs/dbraw/zinc/90/04/60/562900460.db2.gz BOUDGQUEAMMTAE-UHFFFAOYSA-N 1 0 632.806 5.523 1 0 KKAFRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2 ZINC000473134964 562900575 /nfs/dbraw/zinc/90/05/75/562900575.db2.gz KEOZUNFWVFOURD-IARZGTGTSA-N 1 0 566.702 5.227 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc1)CC2 ZINC000473134990 562900578 /nfs/dbraw/zinc/90/05/78/562900578.db2.gz DQIYNAWJFAUJBY-UHFFFAOYSA-N 1 0 869.654 7.666 1 0 KKAFRO Cc1ccc(Cn2cc(C[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473136973 562901108 /nfs/dbraw/zinc/90/11/08/562901108.db2.gz VVUWIOCZJUFILS-UHFFFAOYSA-N 1 0 538.950 8.103 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cc2ccc(OC(F)(F)F)cc2)C(C)C)C(C)C)ccc1OC ZINC000473144859 562901259 /nfs/dbraw/zinc/90/12/59/562901259.db2.gz AWXQLLMAKBSGSQ-MCEBTLFFSA-N 1 0 682.865 6.950 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([N@@H+]1CC[C@@H](F)C1)CC2 ZINC000473145152 562901274 /nfs/dbraw/zinc/90/12/74/562901274.db2.gz KWNAEWYQYPOIBQ-SSEPRJSISA-N 1 0 555.543 5.387 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473146935 562901379 /nfs/dbraw/zinc/90/13/79/562901379.db2.gz DUACEZNSYNKOQI-WJOKGBTCSA-N 1 0 536.116 5.912 1 0 KKAFRO CC1(C)CC[C@]2(C(=O)NCC[NH+]3CCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000473146784 562901400 /nfs/dbraw/zinc/90/14/00/562901400.db2.gz DHWCEVKZBWZXDS-JYBIBERPSA-N 1 0 568.887 6.333 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](C)c2ccc(Br)cc2)C(C)C)C(C)C)ccc1OC ZINC000473151222 562901618 /nfs/dbraw/zinc/90/16/18/562901618.db2.gz OIMNBUDLLBTAKJ-SCSDWAJUSA-N 1 0 635.684 6.306 1 0 KKAFRO CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152125 562901780 /nfs/dbraw/zinc/90/17/80/562901780.db2.gz ODLNVGRMSRRORB-XGAFWQRZSA-N 1 0 510.078 6.206 1 0 KKAFRO C[NH+](C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159062 562902580 /nfs/dbraw/zinc/90/25/80/562902580.db2.gz FEBYRPLOGIYSFM-GCSLNTQSSA-N 1 0 528.480 5.576 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+]5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473159282 562902692 /nfs/dbraw/zinc/90/26/92/562902692.db2.gz ZLIOSGIOAZAMMG-LSNLESRRSA-N 1 0 563.142 5.502 1 0 KKAFRO COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCC[N@H+](CCCNC(=O)OCc4ccccc4)C3)cc21 ZINC000473162831 562902826 /nfs/dbraw/zinc/90/28/26/562902826.db2.gz PGWVTNQSTFSHFU-QFIPXVFZSA-N 1 0 516.617 5.874 1 0 KKAFRO CCN(c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473183264 562903577 /nfs/dbraw/zinc/90/35/77/562903577.db2.gz SBAQKAFXTIZCOI-WXUXXXNLSA-N 1 0 597.804 5.854 1 0 KKAFRO CCN(c1cc(-c2cccs2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244514 562904887 /nfs/dbraw/zinc/90/48/87/562904887.db2.gz MTXMCRMCPXGTAA-RQNOJGIXSA-N 1 0 520.743 6.070 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(=O)n2C)cc1F ZINC000474607061 562905345 /nfs/dbraw/zinc/90/53/45/562905345.db2.gz INMGRAZPRCTMSZ-UHFFFAOYSA-N 1 0 707.178 6.034 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(F)c3)c(=O)n2C)cc1F ZINC000474607058 562905373 /nfs/dbraw/zinc/90/53/73/562905373.db2.gz IMTFUFPOVPBIEH-UHFFFAOYSA-N 1 0 690.723 5.519 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCCCCOc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608926 562905480 /nfs/dbraw/zinc/90/54/80/562905480.db2.gz MZWKPHIXSKOBGW-UMSFTDKQSA-N 1 0 593.768 6.433 1 0 KKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nnc(-c4ccccc4I)[nH]3)ccc21 ZINC000474609663 562905575 /nfs/dbraw/zinc/90/55/75/562905575.db2.gz SENYPCLOOXYAMF-MHZLTWQESA-N 1 0 568.434 5.998 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C)cc3)c(=O)n2C)cc1F ZINC000474609622 562905614 /nfs/dbraw/zinc/90/56/14/562905614.db2.gz RNEBHONEPJGCSY-UHFFFAOYSA-N 1 0 667.782 7.034 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474609684 562905653 /nfs/dbraw/zinc/90/56/53/562905653.db2.gz SKZXSSPANHQDHW-UHFFFAOYSA-N 1 0 584.580 5.145 1 0 KKAFRO CCOC(=O)CCc1cccc(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c3C)C(=O)N4)cs2)c1 ZINC000653668878 562906063 /nfs/dbraw/zinc/90/60/63/562906063.db2.gz KBJCLCBNNCZRDN-RRAHZORUSA-N 1 0 639.822 6.482 1 0 KKAFRO CC[NH+]1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)cn2)CC1 ZINC000653676801 562906240 /nfs/dbraw/zinc/90/62/40/562906240.db2.gz AWQIISONEYHGLG-FQEVSTJZSA-N 1 0 536.709 5.834 1 0 KKAFRO CC(=O)N1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6scc(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653678354 562906271 /nfs/dbraw/zinc/90/62/71/562906271.db2.gz LOZDBSBEDGIEIV-NRFANRHFSA-N 1 0 563.731 6.274 1 0 KKAFRO Cc1csc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(CC[NH+](C)C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653679773 562906304 /nfs/dbraw/zinc/90/63/04/562906304.db2.gz KCFFECHLRNRECF-DEOSSOPVSA-N 1 0 592.817 6.289 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653696890 562907043 /nfs/dbraw/zinc/90/70/43/562907043.db2.gz WIDRYCGUMIGBRY-UHFFFAOYSA-N 1 0 565.571 7.081 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000653699649 562907302 /nfs/dbraw/zinc/90/73/02/562907302.db2.gz ZBRBQQOBSKYLGM-SLTKKEMYSA-N 1 0 531.494 6.150 1 0 KKAFRO Cn1ncc(Br)c1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)cc1Br ZINC000653912892 562917728 /nfs/dbraw/zinc/91/77/28/562917728.db2.gz PQBYAWKBHLVJSG-UHFFFAOYSA-N 1 0 577.104 5.521 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706308 562907801 /nfs/dbraw/zinc/90/78/01/562907801.db2.gz CTFYMOIQAUCHSA-MUUNZHRXSA-N 1 0 626.633 5.098 1 0 KKAFRO CCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC000653708044 562907937 /nfs/dbraw/zinc/90/79/37/562907937.db2.gz PKIRBWTZDHRUJE-XGAFWQRZSA-N 1 0 503.050 5.432 1 0 KKAFRO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000653712895 562908188 /nfs/dbraw/zinc/90/81/88/562908188.db2.gz ZBRBQQOBSKYLGM-OIUQCLNLSA-N 1 0 531.494 6.150 1 0 KKAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000653712775 562908195 /nfs/dbraw/zinc/90/81/95/562908195.db2.gz GQVINRGNMJQUPC-UHFFFAOYSA-N 1 0 532.044 6.152 1 0 KKAFRO CCCC[C@H](OC(=O)CN1CC[NH+](CCCCCOc2ccccc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653725348 562909003 /nfs/dbraw/zinc/90/90/03/562909003.db2.gz GLQVMMJJLNNFHT-DFXWXNOTSA-N 1 0 761.869 6.321 1 0 KKAFRO O=S(=O)([N-]c1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC000653742643 562910202 /nfs/dbraw/zinc/91/02/02/562910202.db2.gz GUGZIAOSXOELAU-IBGZPJMESA-N 1 0 521.586 5.254 1 0 KKAFRO COc1ccc(OC)c(CCC[N@H+](CCc2ccc3c(c2)OCO3)CCc2ccc(OC)c(OC)c2)c1 ZINC000653753044 562910781 /nfs/dbraw/zinc/91/07/81/562910781.db2.gz NNXMXZAHWDHMEF-UHFFFAOYSA-N 1 0 507.627 5.170 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000653757848 562911116 /nfs/dbraw/zinc/91/11/16/562911116.db2.gz ONQHIKASFHKSEY-CMUVECESSA-N 1 0 582.708 5.852 1 0 KKAFRO CC[NH+](CC)CCN(C)C(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C ZINC000653767530 562911671 /nfs/dbraw/zinc/91/16/71/562911671.db2.gz ZUTIJVWQZGMIEC-IMRQLAEWSA-N 1 0 536.680 5.391 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(C)[C@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653785879 562912373 /nfs/dbraw/zinc/91/23/73/562912373.db2.gz HJZOPYYUOLSQPF-NOCHOARKSA-N 1 0 515.681 5.713 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794524 562912944 /nfs/dbraw/zinc/91/29/44/562912944.db2.gz SETFSSCHFHLHLA-AARKOHAPSA-N 1 0 555.746 6.439 1 0 KKAFRO Cc1ccc(Cn2c[n+](CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794525 562912975 /nfs/dbraw/zinc/91/29/75/562912975.db2.gz SETFSSCHFHLHLA-BCRBLDSWSA-N 1 0 555.746 6.439 1 0 KKAFRO Cc1n(Cc2ccccc2Br)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653795172 562912989 /nfs/dbraw/zinc/91/29/89/562912989.db2.gz USDIWJGYLJYDDN-VSJLXWSYSA-N 1 0 606.588 6.585 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccc2ccccc2c1 ZINC000653802013 562913444 /nfs/dbraw/zinc/91/34/44/562913444.db2.gz DKCHVCFUUQNLGO-PVXQIPPMSA-N 1 0 591.779 7.284 1 0 KKAFRO CCCNC(=O)C1CCN(C(=O)c2cc3sc(C[NH2+][C@H](C)c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811118 562913856 /nfs/dbraw/zinc/91/38/56/562913856.db2.gz PCOSJRCZXRNURC-HSZRJFAPSA-N 1 0 572.775 5.989 1 0 KKAFRO COc1ccc(-c2cc3ccc(OCCC[N@H+](C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)cc3oc2=O)cc1 ZINC000653830243 562914538 /nfs/dbraw/zinc/91/45/38/562914538.db2.gz VVVHTKDUIOCALE-UHFFFAOYSA-N 1 0 634.773 7.871 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653857548 562915818 /nfs/dbraw/zinc/91/58/18/562915818.db2.gz VFTVILZVYXJKLN-UHFFFAOYSA-N 1 0 625.705 5.333 1 0 KKAFRO COc1ccc(CC[N@H+](CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857918 562915821 /nfs/dbraw/zinc/91/58/21/562915821.db2.gz BINQFCRFCWOLJS-UHFFFAOYSA-N 1 0 526.471 5.915 1 0 KKAFRO Cn1ncc(Cl)c1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC[NH2+]CC2)cc1Br ZINC000653864111 562916170 /nfs/dbraw/zinc/91/61/70/562916170.db2.gz DIRUSVUVAUJPNP-UHFFFAOYSA-N 1 0 532.653 5.412 1 0 KKAFRO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916440 /nfs/dbraw/zinc/91/64/40/562916440.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 1 0 531.663 5.780 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653882269 562916795 /nfs/dbraw/zinc/91/67/95/562916795.db2.gz HKNGVTUZPZANJN-UHFFFAOYSA-N 1 0 624.717 6.879 1 0 KKAFRO NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@H](C[C@@H]2C=Cc3cc4ccccc4cc3[C@H]2CCCCCCCCCCO)NC2=[NH+]CC=C2)N1 ZINC000085510117 565134296 /nfs/dbraw/zinc/13/42/96/565134296.db2.gz WKCYOIQHGLKMRG-BXRNRHTBSA-N 1 0 610.823 6.742 1 0 biogenic,in-vitro KKAFRO 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\CCC1CCCCC1 ZINC000085531929 565137211 /nfs/dbraw/zinc/13/72/11/565137211.db2.gz VQDDARCWCJQRDD-WGQMNIMOSA-N 1 0 623.878 8.860 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532429 565137640 /nfs/dbraw/zinc/13/76/40/565137640.db2.gz JRHWWRXBKXOENO-AVDCHBLTSA-N 1 0 601.828 7.439 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532307 565137651 /nfs/dbraw/zinc/13/76/51/565137651.db2.gz ITFGBNSSRAMNKV-YDFILXEUSA-N 1 0 631.854 6.606 1 0 biogenic,in-vitro KKAFRO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36[NH2+][C@]7(C)C=C[C@H]3CCC[C@H]6CC7)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567453 565142281 /nfs/dbraw/zinc/14/22/81/565142281.db2.gz KVHGXZTWYZXVPU-VPLORUQYSA-N 1 0 668.787 6.013 1 0 biogenic,in-vitro KKAFRO CNC(=[NH2+])Nc1cccc(CCCCC2CCC(O)(CC(=O)CCc3ccc(OC)c(OCc4ccc5cc(O)ccc5c4)c3)CC2)c1 ZINC000085596110 565154788 /nfs/dbraw/zinc/15/47/88/565154788.db2.gz BDMZQDMWCPVCHF-UHFFFAOYSA-N 1 0 651.848 7.925 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3S(=O)(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823342 581100749 /nfs/dbraw/zinc/10/07/49/581100749.db2.gz JRCHKVVMHCOVBA-CJJXDKIUSA-N 1 0 578.706 5.784 1 0 KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(Oc4ccccc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823502 581100767 /nfs/dbraw/zinc/10/07/67/581100767.db2.gz AEXPHLJCGOXXBU-ZRXRSDKNSA-N 1 0 505.614 7.263 1 0 KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3ccnc(N)c3)C(=O)O/C4=C\C[C@H](C)C[NH2+]C)[C@@H]21 ZINC000085571221 291919917 /nfs/dbraw/zinc/91/99/17/291919917.db2.gz VKNXCBCVLXLLEV-VXBZGXRLSA-N 1 0 529.681 5.163 1 0 biogenic,in-vitro KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@@]13C=C[C@H]([NH2+]C)c4cccc(c4)-c4ccc(O)cc4C4=C5C(=O)O/C(=C\[C@H](CC)Cc6ccccc6)[C@]5(CC[C@@H]41)[C@@H]23 ZINC000085571344 291919920 /nfs/dbraw/zinc/91/99/20/291919920.db2.gz GJENNKBCJOKWME-LLZNSKANSA-N 1 0 705.895 9.697 1 0 biogenic,in-vitro KKAFRO CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cc(O)cc(C[NH2+]C)c2)ccc(O)c1OC ZINC000085632113 291949723 /nfs/dbraw/zinc/94/97/23/291949723.db2.gz DYSOZWQCAUMSDT-AFGDUHIRSA-N 1 0 785.958 6.855 1 0 biogenic,in-vitro KKAFRO O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC[NH+](CC1)CC2 ZINC000001483533 561675811 /nfs/dbraw/zinc/67/58/11/561675811.db2.gz MITDQFYCYRHNBC-DEOSSOPVSA-N 1 0 565.558 5.921 1 0 KKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CCCCC3)cn3ccccc23)cc1 ZINC000003809860 561682719 /nfs/dbraw/zinc/68/27/19/561682719.db2.gz DNVSHEVUODCBND-UHFFFAOYSA-N 1 0 524.771 7.491 1 0 KKAFRO COc1cc(CN(CC[C@H]2CCCC[NH2+]2)C(=O)CCCc2ccccc2)ccc1OCc1ccccc1 ZINC000003816011 561683052 /nfs/dbraw/zinc/68/30/52/561683052.db2.gz FXRMCJGSSQXVOH-GDLZYMKVSA-N 1 0 500.683 6.158 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(F)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000003821182 561683326 /nfs/dbraw/zinc/68/33/26/561683326.db2.gz MRNKXWGUIXOUOG-UHFFFAOYSA-N 1 0 535.752 7.329 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000003917082 561685138 /nfs/dbraw/zinc/68/51/38/561685138.db2.gz QBKUPBPJZQRXGW-UHFFFAOYSA-N 1 0 630.830 5.951 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc(Cc4ccccc4)c(=O)[nH]c3-c3ccccc3)cc2)CC1 ZINC000003917945 561685232 /nfs/dbraw/zinc/68/52/32/561685232.db2.gz UYMMZCJEAFAEMD-UHFFFAOYSA-N 1 0 567.693 6.175 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000003921846 561685778 /nfs/dbraw/zinc/68/57/78/561685778.db2.gz BCGZEKDZDMYASL-BHBYDHKZSA-N 1 0 560.138 6.319 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4nc3C(C)C)cc2)cc1OC ZINC000003922479 561685921 /nfs/dbraw/zinc/68/59/21/561685921.db2.gz UFVMYINQBBDCKW-UHFFFAOYSA-N 1 0 551.709 5.251 1 0 KKAFRO c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)C[NH2+]C[C@H]3CSc3ccncc3)cc2)cc1 ZINC000003949311 561690266 /nfs/dbraw/zinc/69/02/66/561690266.db2.gz CKFYLSMACGXFQB-XHFCRVKJSA-N 1 0 604.816 7.901 1 0 KKAFRO COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000003952523 561690669 /nfs/dbraw/zinc/69/06/69/561690669.db2.gz KPAVQVASBKPMCM-UHFFFAOYSA-N 1 0 534.700 7.586 1 0 KKAFRO Cc1noc(C)c1C(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003955738 561690927 /nfs/dbraw/zinc/69/09/27/561690927.db2.gz DARWTXHQOOFYSC-UHFFFAOYSA-N 1 0 503.487 5.847 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000003963388 561691288 /nfs/dbraw/zinc/69/12/88/561691288.db2.gz VXUCIZNBHYGVJG-UHFFFAOYSA-N 1 0 510.682 5.474 1 0 KKAFRO O=C(Nc1nc2c(cccc2Cl)s1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000003976345 561691930 /nfs/dbraw/zinc/69/19/30/561691930.db2.gz CCWUVBRDCQPCJX-SXWKCWPCSA-N 1 0 515.098 6.724 1 0 KKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000003975897 561691972 /nfs/dbraw/zinc/69/19/72/561691972.db2.gz RTUNBOPBBCULLC-DEOSSOPVSA-N 1 0 512.742 6.517 1 0 in-vitro KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[C@H]([N@H+](C)[C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000003990813 561693317 /nfs/dbraw/zinc/69/33/17/561693317.db2.gz ZTENZJJCFACIAK-ADWVOTLJSA-N 1 0 574.785 6.416 1 0 in-vivo KKAFRO CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)cc2)cc1 ZINC000006003581 561701099 /nfs/dbraw/zinc/70/10/99/561701099.db2.gz FLGLLTQRMUOBKA-UHFFFAOYSA-O 1 0 588.731 5.507 1 0 KKAFRO CC(C)COC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004391841 561694742 /nfs/dbraw/zinc/69/47/42/561694742.db2.gz ASJQQCPRNNEERR-UHFFFAOYSA-N 1 0 557.712 7.182 1 0 KKAFRO CCCCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852810 561699690 /nfs/dbraw/zinc/69/96/90/561699690.db2.gz VAFMMJMLADASRY-UHFFFAOYSA-O 1 0 557.712 5.129 1 0 KKAFRO CC[C@]1(Cc2ccc(OC)c(OC)c2)C[N+](=O)O[C@H](O[C@H]2CCCC[C@@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923776 561700311 /nfs/dbraw/zinc/70/03/11/561700311.db2.gz UPXQKZKLSGNVHJ-NFGNZLMFSA-N 1 0 511.615 5.170 1 0 KKAFRO CC[NH+](CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000005946934 561700514 /nfs/dbraw/zinc/70/05/14/561700514.db2.gz YZQZHAYEQWAQTL-GDLZYMKVSA-N 1 0 515.702 5.441 1 0 KKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)cc12 ZINC000013454404 561713480 /nfs/dbraw/zinc/71/34/80/561713480.db2.gz NWIUHJOQNRALHQ-UHFFFAOYSA-N 1 0 532.080 7.036 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586131 561705938 /nfs/dbraw/zinc/70/59/38/561705938.db2.gz COBDEDAHCPSQHT-QHHIVDTJSA-N 1 0 573.699 8.561 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000008586123 561705975 /nfs/dbraw/zinc/70/59/75/561705975.db2.gz KRBGXVBDTBOSTH-QHHIVDTJSA-N 1 0 505.702 7.542 3 0 KKAFRO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690098 561707670 /nfs/dbraw/zinc/70/76/70/561707670.db2.gz PZIHXYQJOBGJEU-TWXDRBSDSA-N 1 0 586.701 9.456 3 0 KKAFRO O=c1cc(NCCC[NH2+][C@H]2CCOc3c(Cl)cc(I)cc32)[nH]c2ccccc12 ZINC000009133394 561708828 /nfs/dbraw/zinc/70/88/28/561708828.db2.gz ZMEOOFNSEGBFRE-KRWDZBQOSA-N 1 0 509.775 5.114 1 0 KKAFRO C[C@H](Nc1nccc(-c2nc(C3CC[NH2+]CC3)n(C)c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439137 561712258 /nfs/dbraw/zinc/71/22/58/561712258.db2.gz PCKXBLGVAVDUJM-SFHVURJKSA-N 1 0 506.576 6.203 1 0 KKAFRO Cc1ccccc1N1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000013479385 561715027 /nfs/dbraw/zinc/71/50/27/561715027.db2.gz ASNNTFFABYDNRF-RUZDIDTESA-N 1 0 512.119 5.265 1 0 KKAFRO O=C(c1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CC[NH2+]CC1 ZINC000013487126 561715143 /nfs/dbraw/zinc/71/51/43/561715143.db2.gz FBUWJQYMBWYMNV-UHFFFAOYSA-N 1 0 517.363 5.345 1 0 KKAFRO O=C1NCc2c(-c3ccccc3Cl)cc(OC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487119 561715178 /nfs/dbraw/zinc/71/51/78/561715178.db2.gz SBINKQYAJIYBPJ-UHFFFAOYSA-N 1 0 502.829 6.806 1 0 KKAFRO Clc1ccc(C(OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013487737 561715294 /nfs/dbraw/zinc/71/52/94/561715294.db2.gz HIAVHJJCYNVEFU-ZXLOHBOPSA-N 1 0 508.533 8.365 1 0 KKAFRO COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCOC(=O)c1ccc[n+](C)c1 ZINC000013524897 561717265 /nfs/dbraw/zinc/71/72/65/561717265.db2.gz APBMYRYVHMGUGP-UHFFFAOYSA-N 1 0 501.603 5.249 1 0 KKAFRO CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529141 561717552 /nfs/dbraw/zinc/71/75/52/561717552.db2.gz DCAZAGGSPNTUCU-LXANVCGNSA-N 1 0 509.690 6.558 1 0 KKAFRO CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529137 561717556 /nfs/dbraw/zinc/71/75/56/561717556.db2.gz DCAZAGGSPNTUCU-NDKRRWIDSA-N 1 0 509.690 6.558 1 0 KKAFRO COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000013529690 561717659 /nfs/dbraw/zinc/71/76/59/561717659.db2.gz BHKXQYNUEGAIAZ-RTKAOUNRSA-N 1 0 509.731 6.744 1 0 KKAFRO CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OC1CCCCC1 ZINC000013533236 561717772 /nfs/dbraw/zinc/71/77/72/561717772.db2.gz BIJVUDDMIFVIGJ-NDEPHWFRSA-N 1 0 534.726 5.402 1 0 KKAFRO CN(C)C(=O)c1ccccc1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560292 561719717 /nfs/dbraw/zinc/71/97/17/561719717.db2.gz KLFXUVZSZBYWAP-UHFFFAOYSA-N 1 0 524.709 5.686 1 0 KKAFRO O=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588395 561720941 /nfs/dbraw/zinc/72/09/41/561720941.db2.gz CWQKVNKWLYIJAS-YTTGMZPUSA-N 1 0 515.697 7.947 1 0 KKAFRO COc1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000013643394 561722324 /nfs/dbraw/zinc/72/23/24/561722324.db2.gz SPNXADOKWAUMPQ-UHFFFAOYSA-N 1 0 514.453 5.665 1 0 KKAFRO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643398 561722348 /nfs/dbraw/zinc/72/23/48/561722348.db2.gz UVSAHJWEJXWVGO-UHFFFAOYSA-N 1 0 514.453 5.665 1 0 in-vitro KKAFRO CC[NH+](CC)CC[C@@H](c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc21 ZINC000013661039 561723491 /nfs/dbraw/zinc/72/34/91/561723491.db2.gz DLUMNNFOTOWHGY-QFIPXVFZSA-N 1 0 515.606 6.070 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661192 561723532 /nfs/dbraw/zinc/72/35/32/561723532.db2.gz XSULJBUFDAGKHO-KCWPFWIISA-N 1 0 534.741 6.863 3 0 KKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@@H](c2ccc(Cl)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000013674327 561723866 /nfs/dbraw/zinc/72/38/66/561723866.db2.gz ROKXROUURNDTKR-JGCGQSQUSA-N 1 0 530.539 8.556 1 0 KKAFRO O=C(CCCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675672 561724026 /nfs/dbraw/zinc/72/40/26/561724026.db2.gz WIIKLWSNLFQLLL-UHFFFAOYSA-N 1 0 503.090 6.970 1 0 KKAFRO O=C(CCCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675675 561724053 /nfs/dbraw/zinc/72/40/53/561724053.db2.gz XXQFKMLSSFZKTL-UHFFFAOYSA-N 1 0 517.117 7.360 1 0 KKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013733944 561725378 /nfs/dbraw/zinc/72/53/78/561725378.db2.gz UGOMNHAPORMLNW-ROUUACIJSA-N 1 0 522.325 6.113 1 0 KKAFRO O=C(OCCC[NH+]1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1 ZINC000013737410 561725683 /nfs/dbraw/zinc/72/56/83/561725683.db2.gz FRMBVLCHGCTKKH-UHFFFAOYSA-N 1 0 517.451 5.916 1 0 KKAFRO CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740059 561725972 /nfs/dbraw/zinc/72/59/72/561725972.db2.gz NRTRTGUHADDPRO-UHFFFAOYSA-N 1 0 519.515 5.495 1 0 KKAFRO CC[NH+](CC)CCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC(C)C ZINC000013740818 561726029 /nfs/dbraw/zinc/72/60/29/561726029.db2.gz VOQCKBYOYJSLMN-UHFFFAOYSA-N 1 0 521.775 6.768 1 0 KKAFRO CCCC[C@H]1CCc2cc(C(=O)C(C)C)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740445 561726036 /nfs/dbraw/zinc/72/60/36/561726036.db2.gz HGRLRYSQVKQOPB-MHZLTWQESA-N 1 0 500.731 6.534 1 0 KKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@H](c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000013744550 561726575 /nfs/dbraw/zinc/72/65/75/561726575.db2.gz XHNPKKNIQBKPHA-KWXIBIRDSA-N 1 0 525.577 8.068 1 0 KKAFRO COc1ccc(C[N@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013473317 561714346 /nfs/dbraw/zinc/71/43/46/561714346.db2.gz ZMEAEUNNMHQAJK-UHFFFAOYSA-N 1 0 508.662 5.826 1 0 KKAFRO COc1ccc(C[N@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1 ZINC000013473320 561714365 /nfs/dbraw/zinc/71/43/65/561714365.db2.gz DIASBTZRVLJKDB-UHFFFAOYSA-N 1 0 526.652 5.965 1 0 KKAFRO Fc1ccc(C(OCC[NH2+]CCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780778 561729185 /nfs/dbraw/zinc/72/91/85/561729185.db2.gz LQTLMKWBTKXASX-SSEXGKCCSA-N 1 0 528.643 6.908 1 0 KKAFRO COc1ccc(C[N@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781684 561729452 /nfs/dbraw/zinc/72/94/52/561729452.db2.gz AENYUXFGNVUDBE-MUUNZHRXSA-N 1 0 528.759 6.101 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4nc5ccccc5c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013800206 561730535 /nfs/dbraw/zinc/73/05/35/561730535.db2.gz RGTDBBNDZCCUAV-RVLOQZQWSA-N 1 0 502.614 5.307 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824934 561732842 /nfs/dbraw/zinc/73/28/42/561732842.db2.gz QFUKWQQHSSRPQM-UHFFFAOYSA-N 1 0 509.593 5.593 1 0 KKAFRO COc1cc([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013830814 561733214 /nfs/dbraw/zinc/73/32/14/561733214.db2.gz OFSNSRZUEWQAFB-WIYYLYMNSA-N 1 0 525.642 5.398 1 0 KKAFRO O=C1CC[N@@H+](CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013829801 561733265 /nfs/dbraw/zinc/73/32/65/561733265.db2.gz VBTKCUFWEXQSPZ-SANMLTNESA-N 1 0 509.513 6.060 1 0 KKAFRO COc1cc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013830816 561733278 /nfs/dbraw/zinc/73/32/78/561733278.db2.gz OFSNSRZUEWQAFB-NQIIRXRSSA-N 1 0 525.642 5.398 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)NC[C@@H](c2ccc(Cl)c(Cl)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000013835136 561734330 /nfs/dbraw/zinc/73/43/30/561734330.db2.gz XYYQBJLKFVMOJL-NDEPHWFRSA-N 1 0 532.556 6.131 1 0 KKAFRO CC(=O)OC[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013910941 561735580 /nfs/dbraw/zinc/73/55/80/561735580.db2.gz LSDCEJWALDHZKK-DJXTYDQKSA-N 1 0 531.656 5.871 1 0 KKAFRO O=C(C[C@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014191024 561737387 /nfs/dbraw/zinc/73/73/87/561737387.db2.gz RMQZAKOLGVUVAD-YTTGMZPUSA-N 1 0 611.743 6.368 1 0 in-vivo KKAFRO O=C(CN1CCc2cc(-c3ccncc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191776 561737597 /nfs/dbraw/zinc/73/75/97/561737597.db2.gz XSLYYJWTXUSRQA-JGCGQSQUSA-N 1 0 563.573 7.248 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000014255608 561738589 /nfs/dbraw/zinc/73/85/89/561738589.db2.gz WMCJTEMIOYSTDL-VWLOTQADSA-N 1 0 563.783 7.190 1 0 KKAFRO CC(=O)N(CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000014946288 561743472 /nfs/dbraw/zinc/74/34/72/561743472.db2.gz TWECJTVNEQDUIG-UHFFFAOYSA-N 1 0 552.788 7.374 1 0 KKAFRO CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)c2=O ZINC000014950514 561745542 /nfs/dbraw/zinc/74/55/42/561745542.db2.gz MQQBADQNPQFSSO-UHFFFAOYSA-N 1 0 549.631 5.020 1 0 KKAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccc(Cl)cc43)cc2F)c1 ZINC000014950666 561745683 /nfs/dbraw/zinc/74/56/83/561745683.db2.gz LSIQRMHAHHGORM-UHFFFAOYSA-N 1 0 541.896 5.559 1 0 KKAFRO Cc1ccc2c(c1)ncn2-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(N)=[NH2+])c2)c(F)c1 ZINC000014950673 561745686 /nfs/dbraw/zinc/74/56/86/561745686.db2.gz QIIJPFFGWFOIHG-UHFFFAOYSA-N 1 0 521.478 5.214 1 0 KKAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CCCC4)cc3F)cc12 ZINC000014951142 561746023 /nfs/dbraw/zinc/74/60/23/561746023.db2.gz VWXAJELEKJVKSG-UHFFFAOYSA-N 1 0 564.543 6.269 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)c3ccccc23)cc1 ZINC000014956560 561747687 /nfs/dbraw/zinc/74/76/87/561747687.db2.gz RTGVWXYTMRGERL-UHFFFAOYSA-N 1 0 525.697 7.140 1 0 KKAFRO CNc1nccc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCC[NH+](C)C)c2)n1 ZINC000014957289 561747908 /nfs/dbraw/zinc/74/79/08/561747908.db2.gz CRIVQNIFBMFYFY-UHFFFAOYSA-N 1 0 597.617 6.171 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014957988 561748115 /nfs/dbraw/zinc/74/81/15/561748115.db2.gz INUGOQWCVGGZKS-UHFFFAOYSA-N 1 0 528.620 5.076 1 0 KKAFRO O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](CCCCCN2C(=O)c3ccccc3C2=O)CC1)c1cccc2ccccc21 ZINC000014962022 561748548 /nfs/dbraw/zinc/74/85/48/561748548.db2.gz HQMXPAYDWPIZSY-UHFFFAOYSA-N 1 0 622.769 7.348 1 0 KKAFRO CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCC2)c1 ZINC000014961946 561748555 /nfs/dbraw/zinc/74/85/55/561748555.db2.gz PAYKUQGXTSZBRO-ZGEQKSCTSA-N 1 0 603.763 5.891 1 0 KKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc[nH+]c2NC(C)C)c1Cl ZINC000014963219 561748963 /nfs/dbraw/zinc/74/89/63/561748963.db2.gz KXHOQPZAXTWOOG-UHFFFAOYSA-N 1 0 593.924 6.682 1 0 KKAFRO CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C1CC[NH+](C)CC1 ZINC000014963750 561749186 /nfs/dbraw/zinc/74/91/86/561749186.db2.gz IFLAFCATJQGCIF-UHFFFAOYSA-N 1 0 565.954 6.739 1 0 KKAFRO CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)oc3c(F)c2)ccn1 ZINC000014965343 561749394 /nfs/dbraw/zinc/74/93/94/561749394.db2.gz QLSXSSVKJHMGDQ-INIZCTEOSA-N 1 0 525.968 5.384 1 0 KKAFRO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCC[NH+](C)C)cc3)n2)c(OC)c1 ZINC000014965452 561749630 /nfs/dbraw/zinc/74/96/30/561749630.db2.gz JBUBKVHDFJCRSZ-UHFFFAOYSA-N 1 0 571.678 6.522 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000014970499 561750943 /nfs/dbraw/zinc/75/09/43/561750943.db2.gz DESJRSILBBZHEG-XYFQYJLHSA-N 1 0 571.729 5.474 1 0 KKAFRO NC(=O)Cc1cccc(OCCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1 ZINC000014973001 561751720 /nfs/dbraw/zinc/75/17/20/561751720.db2.gz XMGCJZBZVMGBQN-UHFFFAOYSA-N 1 0 564.623 6.976 1 0 KKAFRO CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000014974834 561752163 /nfs/dbraw/zinc/75/21/63/561752163.db2.gz ZTEUZIUQSSFLER-UHFFFAOYSA-N 1 0 544.961 5.867 1 0 KKAFRO COc1cc([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545707 561755883 /nfs/dbraw/zinc/75/58/83/561755883.db2.gz UNKQRIKLJYKDOX-RCZVLFRGSA-N 1 0 587.713 6.757 3 0 KKAFRO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[N@@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545785 561756002 /nfs/dbraw/zinc/75/60/02/561756002.db2.gz KTJZESHDLXWFPF-ZPJFYFFZSA-N 1 0 572.746 6.473 3 0 KKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000017577500 561756708 /nfs/dbraw/zinc/75/67/08/561756708.db2.gz BRNGMYIYCLGEIK-VLSDCWDMSA-N 1 0 554.137 8.486 3 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655027 561757799 /nfs/dbraw/zinc/75/77/99/561757799.db2.gz SVGCVFQVDCWGPY-DQWNXYKBSA-N 1 0 585.789 6.531 1 0 KKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655189 561757937 /nfs/dbraw/zinc/75/79/37/561757937.db2.gz JJCDILMKORSWRA-VSGBNLITSA-N 1 0 559.751 6.141 1 0 KKAFRO Ic1cccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019366767 561758554 /nfs/dbraw/zinc/75/85/54/561758554.db2.gz KNGIMKGSUWBSIZ-CSKARUKUSA-N 1 0 538.473 5.728 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCc4ccccc4)nc3n2)CC1 ZINC000021289438 561758827 /nfs/dbraw/zinc/75/88/27/561758827.db2.gz XARWOHKDCBRPBQ-UHFFFAOYSA-N 1 0 579.536 5.370 1 0 KKAFRO CO[C@@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924718 561759620 /nfs/dbraw/zinc/75/96/20/561759620.db2.gz MLTMTBFVYXFOGY-MUUNZHRXSA-N 1 0 510.694 6.302 1 0 KKAFRO CC(C)N(CCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934260 561760596 /nfs/dbraw/zinc/76/05/96/561760596.db2.gz YLDZFBCNASIHQU-JGCGQSQUSA-N 1 0 534.188 7.355 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941891 561761169 /nfs/dbraw/zinc/76/11/69/561761169.db2.gz HMVJROBJYQFKLV-GOTSBHOMSA-N 1 0 501.637 6.084 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC45CC6CC(CC(C6)C4)C5)nc3n2)CC1 ZINC000023357754 561761585 /nfs/dbraw/zinc/76/15/85/561761585.db2.gz PSGCJFMDGKOFIG-UHFFFAOYSA-N 1 0 623.633 6.138 1 0 KKAFRO CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Cl)c(CN5CC[NH+](C)CC5)c4)oc3c(Cl)c2)ccn1 ZINC000023359495 561762170 /nfs/dbraw/zinc/76/21/70/561762170.db2.gz ABWJVVCPMHFSTN-UHFFFAOYSA-N 1 0 541.439 5.173 1 0 KKAFRO Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000023360695 561762180 /nfs/dbraw/zinc/76/21/80/561762180.db2.gz YLFVOCWPJQUYGK-UHFFFAOYSA-N 1 0 525.678 5.371 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 ZINC000025421641 561762803 /nfs/dbraw/zinc/76/28/03/561762803.db2.gz YUXRZMJBOMYGHS-NDEPHWFRSA-N 1 0 610.683 5.956 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCC[NH+](C)C)cc1)c1ccccc1 ZINC000025964948 561763026 /nfs/dbraw/zinc/76/30/26/561763026.db2.gz KJNDGYWAQRWMBO-FLWNBWAVSA-N 1 0 553.528 8.161 1 0 KKAFRO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000025964457 561763038 /nfs/dbraw/zinc/76/30/38/561763038.db2.gz DKTFEUJGLCUSHM-ZNBSHBAVSA-N 1 0 586.754 6.780 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCCC2 ZINC000026008150 561765708 /nfs/dbraw/zinc/76/57/08/561765708.db2.gz CZOIKFCTLASDKV-UHFFFAOYSA-N 1 0 680.812 7.610 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000026013166 561766001 /nfs/dbraw/zinc/76/60/01/561766001.db2.gz ZCWOGLIPVLGIOM-UHFFFAOYSA-N 1 0 633.233 6.854 1 0 KKAFRO CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000026147097 561767277 /nfs/dbraw/zinc/76/72/77/561767277.db2.gz YKAVVIHZGFUKAP-HKBQPEDESA-N 1 0 613.765 5.497 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000026164247 561768904 /nfs/dbraw/zinc/76/89/04/561768904.db2.gz VERMKZUVUYNLHI-UYEZAFAQSA-N 1 0 649.829 5.149 1 0 KKAFRO COc1ccc(C[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168215 561769454 /nfs/dbraw/zinc/76/94/54/561769454.db2.gz JLQYRBBOFMIMNP-URXFXBBRSA-N 1 0 504.652 5.097 1 0 KKAFRO COc1ccc(C[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000026168230 561769541 /nfs/dbraw/zinc/76/95/41/561769541.db2.gz JLQYRBBOFMIMNP-ZJSXRUAMSA-N 1 0 504.652 5.097 1 0 KKAFRO CCNC(=O)c1ccc(C(c2ccc(OC)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2Cl)cc1 ZINC000026246782 561773417 /nfs/dbraw/zinc/77/34/17/561773417.db2.gz JAJSMFLIMIJRDG-MKPDMIMOSA-N 1 0 501.070 6.727 1 0 KKAFRO CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295406 561781316 /nfs/dbraw/zinc/78/13/16/561781316.db2.gz ZABNQKMXHNVFGT-PTQZIYOYSA-N 1 0 726.959 5.639 1 0 KKAFRO COc1ccc([C@@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267282 561776548 /nfs/dbraw/zinc/77/65/48/561776548.db2.gz CNORTMXIZFGKGH-DIPNUNPCSA-N 1 0 629.867 8.139 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000026267366 561776565 /nfs/dbraw/zinc/77/65/65/561776565.db2.gz FSFFQGDSAZPZKD-XYOKQWHBSA-N 1 0 504.461 7.506 1 0 KKAFRO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026268211 561776693 /nfs/dbraw/zinc/77/66/93/561776693.db2.gz CWRFGTWBBWBDRR-UIOOFZCWSA-N 1 0 539.720 5.686 1 0 KKAFRO COc1ccc2c(c1)CC[N@@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269374 561776886 /nfs/dbraw/zinc/77/68/86/561776886.db2.gz QBYHJXFWLJFTMH-HKBQPEDESA-N 1 0 505.724 7.473 1 0 KKAFRO COC(=O)[C@@](CC[NH+](C(C)C)C(C)C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1Cl ZINC000026276309 561778315 /nfs/dbraw/zinc/77/83/15/561778315.db2.gz WPFPJNMQIXJMED-HKBQPEDESA-N 1 0 533.197 7.144 1 0 KKAFRO CC(C)(C)NC(=O)[C@H](CC1CCCCC1)[N@@H+]1CCC[C@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000026288544 561780186 /nfs/dbraw/zinc/78/01/86/561780186.db2.gz FZLZBVSWEAAWAB-ZBKIVJSUSA-N 1 0 529.766 5.203 1 0 KKAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026379273 561782969 /nfs/dbraw/zinc/78/29/69/561782969.db2.gz YLVYHWXYLSTSIF-BZKUTMRRSA-N 1 0 628.666 6.778 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7cccc(F)c76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026381282 561783456 /nfs/dbraw/zinc/78/34/56/561783456.db2.gz SVZWHYBKLRIBMQ-UHFFFAOYSA-N 1 0 658.792 6.037 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382563 561783603 /nfs/dbraw/zinc/78/36/03/561783603.db2.gz AIZGVLFFOQJSGH-PIZIKKFZSA-N 1 0 674.694 7.534 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382559 561783607 /nfs/dbraw/zinc/78/36/07/561783607.db2.gz AIZGVLFFOQJSGH-UNVMMQEESA-N 1 0 674.694 7.534 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)/C=C/c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385822 561784363 /nfs/dbraw/zinc/78/43/63/561784363.db2.gz PKFGDFMCFUTNPF-FOHRATBMSA-N 1 0 501.479 5.743 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)/C=C/c2cccs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026387764 561784879 /nfs/dbraw/zinc/78/48/79/561784879.db2.gz BPVFMUYMRQZNGH-FOHRATBMSA-N 1 0 517.547 6.211 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026397664 561787397 /nfs/dbraw/zinc/78/73/97/561787397.db2.gz WYCVSPRVSFUVMA-HHHXNRCGSA-N 1 0 515.506 6.247 1 0 KKAFRO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026397385 561787414 /nfs/dbraw/zinc/78/74/14/561787414.db2.gz FWAIISKMGSSFIF-UHFFFAOYSA-N 1 0 628.814 6.841 1 0 KKAFRO Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026403897 561789251 /nfs/dbraw/zinc/78/92/51/561789251.db2.gz PWQSGDXLYIZACP-VWLOTQADSA-N 1 0 512.654 5.321 1 0 KKAFRO COCC[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(NC(=O)Nc5ccccc5)ccc43)cc12 ZINC000026467825 561789952 /nfs/dbraw/zinc/78/99/52/561789952.db2.gz JWZNKJCEYMWLHS-XMMPIXPASA-N 1 0 508.626 5.804 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026488773 561792897 /nfs/dbraw/zinc/79/28/97/561792897.db2.gz PFQWBQMTZYYKPV-SHMWJOFESA-N 1 0 621.539 6.188 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000026488567 561792905 /nfs/dbraw/zinc/79/29/05/561792905.db2.gz ICVRLMZZXLJXHV-QPSWJSTDSA-N 1 0 593.485 5.410 1 0 KKAFRO CCCC1CC[NH+](CCCCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1 ZINC000026489447 561793047 /nfs/dbraw/zinc/79/30/47/561793047.db2.gz UDUUQCAKWIKKJO-UHFFFAOYSA-N 1 0 503.083 6.384 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC[C@H]1CCCCO1 ZINC000026493663 561793895 /nfs/dbraw/zinc/79/38/95/561793895.db2.gz WMCZYQALENMCCM-MMJKOSAZSA-N 1 0 634.629 5.238 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026501173 561795615 /nfs/dbraw/zinc/79/56/15/561795615.db2.gz HJKLDWTVFUDTGJ-RUZDIDTESA-N 1 0 565.101 7.033 1 0 KKAFRO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+]([C@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)c12 ZINC000026505660 561796505 /nfs/dbraw/zinc/79/65/05/561796505.db2.gz BLWAOIOYJZOAMQ-JGCGQSQUSA-N 1 0 522.656 6.394 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026505665 561796539 /nfs/dbraw/zinc/79/65/39/561796539.db2.gz LCDCUQMYABQNGI-KXQOOQHDSA-N 1 0 708.727 7.240 1 0 KKAFRO COc1cccc(C2(C(N)=O)CC[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)c1 ZINC000026569678 561797763 /nfs/dbraw/zinc/79/77/63/561797763.db2.gz XCIPVUSGRRXKLG-UUWRZZSWSA-N 1 0 670.634 5.721 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000026572239 561798294 /nfs/dbraw/zinc/79/82/94/561798294.db2.gz VJGOUBCAZPOTIY-MGBGTMOVSA-N 1 0 606.163 5.059 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCc2ccc3c(c2)sc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026575107 561799052 /nfs/dbraw/zinc/79/90/52/561799052.db2.gz LZVZRPUWGPOYBB-UHFFFAOYSA-N 1 0 616.803 5.560 1 0 KKAFRO O[C@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576505 561800350 /nfs/dbraw/zinc/80/03/50/561800350.db2.gz CGTJDJAUSDYKFM-HKBQPEDESA-N 1 0 554.698 5.415 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC5(CCCC5)CC4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026577075 561800997 /nfs/dbraw/zinc/80/09/97/561800997.db2.gz AOVBJNVFOOZDSI-WJOKGBTCSA-N 1 0 618.910 9.023 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000026577436 561801579 /nfs/dbraw/zinc/80/15/79/561801579.db2.gz VHYJQKUBUIGDCY-VQPGRYLNSA-N 1 0 593.768 6.532 1 0 KKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1c(C)cccc1OCc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000026577402 561801592 /nfs/dbraw/zinc/80/15/92/561801592.db2.gz YNIKROKUPDMHIM-UHFFFAOYSA-N 1 0 625.817 7.888 1 0 KKAFRO CCOC(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1 ZINC000026655818 561809288 /nfs/dbraw/zinc/80/92/88/561809288.db2.gz AVQPCIQXTRILEZ-UHFFFAOYSA-N 1 0 590.833 5.494 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026579021 561804060 /nfs/dbraw/zinc/80/40/60/561804060.db2.gz NCQZTUCLQGWATO-IMISRGLISA-N 1 0 626.071 6.596 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)N(C)c1ccccc1 ZINC000026580116 561805441 /nfs/dbraw/zinc/80/54/41/561805441.db2.gz RNOFTLUOCWYLNW-KCIZENJTSA-N 1 0 584.613 6.810 1 0 KKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000026642877 561806998 /nfs/dbraw/zinc/80/69/98/561806998.db2.gz VINPBPAOFNCDSB-IZZNHLLZSA-N 1 0 544.017 5.641 1 0 KKAFRO NC(=O)CN(C(=O)CN(C(=O)C[NH2+]CCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000026646636 561807528 /nfs/dbraw/zinc/80/75/28/561807528.db2.gz CTZPHFPVMZJNIP-UHFFFAOYSA-N 1 0 612.730 5.410 1 0 KKAFRO O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 ZINC000026647196 561807681 /nfs/dbraw/zinc/80/76/81/561807681.db2.gz PSWYHQCKXJITGM-UHFFFAOYSA-N 1 0 535.541 5.820 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000026648333 561807919 /nfs/dbraw/zinc/80/79/19/561807919.db2.gz MZGOTFSCFZHBNK-PMERELPUSA-N 1 0 578.802 5.411 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026652192 561808589 /nfs/dbraw/zinc/80/85/89/561808589.db2.gz WJWXIAWSIAEAJJ-JRTUOMDPSA-N 1 0 557.181 5.289 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccccn4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026672405 561812741 /nfs/dbraw/zinc/81/27/41/561812741.db2.gz AOMZRTTZRBZOAC-RWYGWLOXSA-N 1 0 687.841 6.274 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674620 561813634 /nfs/dbraw/zinc/81/36/34/561813634.db2.gz XHIAYAAKBSHSOX-DHUJRADRSA-N 1 0 596.728 5.358 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH+](C4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026675160 561813801 /nfs/dbraw/zinc/81/38/01/561813801.db2.gz BQFXJXUZORXVKT-UHFFFAOYSA-N 1 0 558.912 8.546 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718015 561814538 /nfs/dbraw/zinc/81/45/38/561814538.db2.gz GHVPKFCDNOFWEW-USYZEHPZSA-N 1 0 730.881 7.437 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026721069 561815172 /nfs/dbraw/zinc/81/51/72/561815172.db2.gz VDAMCZUHIJCJPK-HUESYALOSA-N 1 0 704.843 7.018 1 0 KKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026728234 561816274 /nfs/dbraw/zinc/81/62/74/561816274.db2.gz BNKGLONSJXLHNY-PFFZYSGCSA-N 1 0 520.629 5.152 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729837 561816695 /nfs/dbraw/zinc/81/66/95/561816695.db2.gz RXOYYGMYKUAUNP-RVLOQZQWSA-N 1 0 520.629 5.152 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(C(N)=O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026817330 561820498 /nfs/dbraw/zinc/82/04/98/561820498.db2.gz AAWUILGXEAAQRJ-UHFFFAOYSA-N 1 0 536.619 5.129 1 0 KKAFRO CCOC(=O)C1=C(COCCn2c(C)[nH+]c(C)c2C)NC(C)=C(C(=O)NC(C)(C)C)[C@H]1c1ccccc1Cl ZINC000026829484 561822579 /nfs/dbraw/zinc/82/25/79/561822579.db2.gz FWGSJRZOTIAHEE-HEBMYIDGSA-N 1 0 543.108 5.712 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083348 561835619 /nfs/dbraw/zinc/83/56/19/561835619.db2.gz BYTINRYNDVFJIV-YTCPBCGMSA-N 1 0 529.750 5.882 1 0 KKAFRO O=C1N[C@H](Cc2csc3ccccc23)C(=O)N1C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026835430 561824101 /nfs/dbraw/zinc/82/41/01/561824101.db2.gz ZQSHCPMJOSCQPP-FREGXXQWSA-N 1 0 572.174 7.071 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCC[NH+]4CCCCC4)CC3)Cc3ccccc32)cc1 ZINC000026835809 561824396 /nfs/dbraw/zinc/82/43/96/561824396.db2.gz VSJPOGSOFYKAOZ-QNGWXLTQSA-N 1 0 608.758 6.288 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838381 561825029 /nfs/dbraw/zinc/82/50/29/561825029.db2.gz DDSLRSIEDFCEEP-DTISGFQVSA-N 1 0 562.113 7.663 1 0 KKAFRO Cn1cc(C[C@H]2NC(=O)N(C[C@@H](CC[NH+]3CCC(c4ccccc4)CC3)c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000026839265 561825305 /nfs/dbraw/zinc/82/53/05/561825305.db2.gz RKIZPVZFHNYEJF-DLFZDVPBSA-N 1 0 569.149 6.348 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)NCC[NH+]4CCCC4)CC3)Cc3ccccc32)cc1 ZINC000026840631 561825687 /nfs/dbraw/zinc/82/56/87/561825687.db2.gz MVPFSLAMRFZZRY-PSXMRANNSA-N 1 0 594.731 5.898 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cccc3c2NCCC3)cc1 ZINC000027081276 561835120 /nfs/dbraw/zinc/83/51/20/561835120.db2.gz GRMUUYATJYSIHM-VEEOACQBSA-N 1 0 516.682 5.701 1 0 KKAFRO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848230 561826878 /nfs/dbraw/zinc/82/68/78/561826878.db2.gz YYLWLQSLLOQPBL-GDLZYMKVSA-N 1 0 565.545 5.273 1 0 KKAFRO CCOC(=O)Nc1nc2nc(-c3ccccc3)c(-c3ccccc3)nc2c(N[C@H](C)CCC[NH+](CC)CC)n1 ZINC000026849294 561827059 /nfs/dbraw/zinc/82/70/59/561827059.db2.gz IDKNHJPIGDKZNA-OAQYLSRUSA-N 1 0 527.673 6.245 1 0 KKAFRO CC(=O)Nc1ccc(CN2CCC([NH2+]CC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000026851731 561827255 /nfs/dbraw/zinc/82/72/55/561827255.db2.gz HOLYVOXJFVZCRT-XIFFEERXSA-N 1 0 650.651 5.849 1 0 KKAFRO COc1ccc(CC[NH2+]CC[C@H]2CN(S(=O)(=O)c3cccc4ccccc43)c3ccccc3O2)cc1OC ZINC000026851383 561827262 /nfs/dbraw/zinc/82/72/62/561827262.db2.gz FYSARLZBTIDTIN-DEOSSOPVSA-N 1 0 532.662 5.036 1 0 KKAFRO CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000026960304 561829564 /nfs/dbraw/zinc/82/95/64/561829564.db2.gz SUEFKCGTIDVUOI-SANMLTNESA-N 1 0 573.612 6.046 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026968692 561830172 /nfs/dbraw/zinc/83/01/72/561830172.db2.gz PKVDFWRNVZYXLU-DJWLMZILSA-N 1 0 547.599 6.025 1 0 KKAFRO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026969478 561830285 /nfs/dbraw/zinc/83/02/85/561830285.db2.gz DTZAAXDHXCAIEY-MOBKVPTQSA-N 1 0 535.588 5.883 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccncc2C)c1 ZINC000026990503 561832564 /nfs/dbraw/zinc/83/25/64/561832564.db2.gz YEPFSMKOUMZYJN-NGFHQYDQSA-N 1 0 576.829 7.770 1 0 KKAFRO Cc1cccc(O)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026994007 561832978 /nfs/dbraw/zinc/83/29/78/561832978.db2.gz KFQDPQKXTSWQOC-SFTDATJTSA-N 1 0 561.508 5.067 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc(Cl)c6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027095379 561837891 /nfs/dbraw/zinc/83/78/91/561837891.db2.gz RSYVEDOZAAVCTE-UHFFFAOYSA-N 1 0 639.214 5.706 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH2+]C(C)C)C3CCCCC3)c2=O)c1F ZINC000027097723 561838202 /nfs/dbraw/zinc/83/82/02/561838202.db2.gz WQKPPGKSPXMKFK-VWLOTQADSA-N 1 0 543.630 5.407 1 0 KKAFRO COc1cc(/C=C/C=C/C(=O)NCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000027213424 561847661 /nfs/dbraw/zinc/84/76/61/561847661.db2.gz JQBGXQUXDFQQNI-BPNXTJCCSA-N 1 0 512.650 5.357 1 0 KKAFRO CC(=O)O[C@@H]1C[C@@H]2C(C)(C)/C(=N/OCC[NH+]3CCCC3)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027412523 561856536 /nfs/dbraw/zinc/85/65/36/561856536.db2.gz ATEHWGPRICGPOU-CCPQXYFISA-N 1 0 548.768 7.138 1 0 KKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431950 561859531 /nfs/dbraw/zinc/85/95/31/561859531.db2.gz VLRKCLYSNVDLNZ-PBBNMVCDSA-N 1 0 572.768 5.052 1 0 KKAFRO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027428617 561858963 /nfs/dbraw/zinc/85/89/63/561858963.db2.gz KHBBXDUMTOKHAJ-HKBQPEDESA-N 1 0 546.633 7.713 1 0 KKAFRO CN(C[C@H](c1ccccc1Br)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027437284 561860382 /nfs/dbraw/zinc/86/03/82/561860382.db2.gz YHNFCOYWNUQUGQ-AREMUKBSSA-N 1 0 634.503 7.179 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027438735 561860487 /nfs/dbraw/zinc/86/04/87/561860487.db2.gz LQUHPSCNOVBDIJ-BMIOMVLPSA-N 1 0 603.188 5.876 1 0 KKAFRO COc1ccc(OC)c([C@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000027439484 561860610 /nfs/dbraw/zinc/86/06/10/561860610.db2.gz RMDXBSYLFLAMKO-SANMLTNESA-N 1 0 601.632 6.092 1 0 KKAFRO COc1cccc([C@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000027517274 561861081 /nfs/dbraw/zinc/86/10/81/561861081.db2.gz LLCSACQWSCTAJV-SANMLTNESA-N 1 0 571.606 6.083 1 0 KKAFRO CC(C)C1CC[NH+](C2CCN([C@H](CN(C)C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000027517358 561861195 /nfs/dbraw/zinc/86/11/95/561861195.db2.gz MGGLLSWGBUFIRZ-GDLZYMKVSA-N 1 0 666.578 8.606 1 0 KKAFRO CN(C[C@H](c1cccc2c1OCO2)N1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517579 561861316 /nfs/dbraw/zinc/86/13/16/561861316.db2.gz XTGGBXGXBHZDDH-RUZDIDTESA-N 1 0 599.616 6.145 1 0 KKAFRO CN(C[C@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517800 561861566 /nfs/dbraw/zinc/86/15/66/561861566.db2.gz BECWCZRLWGOCHQ-AREMUKBSSA-N 1 0 555.607 6.417 1 0 KKAFRO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000027517881 561861583 /nfs/dbraw/zinc/86/15/83/561861583.db2.gz KPEUXZLNLIVUIN-DEOSSOPVSA-N 1 0 644.915 8.035 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518186 561861988 /nfs/dbraw/zinc/86/19/88/561861988.db2.gz INFUSDDIQHZLPP-NRFANRHFSA-N 1 0 531.056 6.024 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(C)nc(C)n4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518263 561862061 /nfs/dbraw/zinc/86/20/61/561862061.db2.gz MGDOWJUATPQBAG-QFIPXVFZSA-N 1 0 560.098 6.035 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCCNC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2=O)cc1 ZINC000027518460 561862268 /nfs/dbraw/zinc/86/22/68/561862268.db2.gz XNTXBSPADVVTGZ-WDYNHAJCSA-N 1 0 589.161 5.488 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000027519296 561863074 /nfs/dbraw/zinc/86/30/74/561863074.db2.gz AINQVQKSQFDZMT-GMYSVHFESA-N 1 0 547.655 5.490 1 0 KKAFRO CCOc1ccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000027520183 561863386 /nfs/dbraw/zinc/86/33/86/561863386.db2.gz VMQAFJPSEXTGNA-DRXXCYFXSA-N 1 0 561.682 5.880 1 0 KKAFRO FC(F)(F)c1cc(COCC2(c3ccccc3)CC[NH+](CCc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000027524291 561865541 /nfs/dbraw/zinc/86/55/41/561865541.db2.gz MVFZYTRKQQVGAV-UHFFFAOYSA-N 1 0 521.545 7.517 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526203 561866123 /nfs/dbraw/zinc/86/61/23/561866123.db2.gz UZMKDOUDIGKWHV-SSEXGKCCSA-N 1 0 671.572 6.967 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@H](C(=O)OCc3ccccc3)C2)c(C(C)C)c1 ZINC000027526482 561866294 /nfs/dbraw/zinc/86/62/94/561866294.db2.gz OXUHCWOWSJTBCS-NHZFLZHXSA-N 1 0 674.908 6.212 1 0 KKAFRO C[C@H](CCN1CCN([C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1=O)c1ccccc1 ZINC000027554640 561869098 /nfs/dbraw/zinc/86/90/98/561869098.db2.gz GFRYRGUIMFBXBH-RMDVPPNSSA-N 1 0 603.808 5.527 1 0 KKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Br)cc2CO)CC1 ZINC000027547942 561867298 /nfs/dbraw/zinc/86/72/98/561867298.db2.gz VSDGMNFJZBSRSC-UHFFFAOYSA-N 1 0 503.506 5.304 1 0 KKAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027548692 561867523 /nfs/dbraw/zinc/86/75/23/561867523.db2.gz ARVUOFMRSSPQPL-YTTGMZPUSA-N 1 0 630.736 6.277 1 0 KKAFRO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027549630 561867637 /nfs/dbraw/zinc/86/76/37/561867637.db2.gz NKFYFKVMXRDNEH-UHFFFAOYSA-N 1 0 531.578 5.459 1 0 KKAFRO COC(=O)C1=C(C)N=C(C)N(Cc2cccc(C[NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027550850 561867935 /nfs/dbraw/zinc/86/79/35/561867935.db2.gz BVILLZIQPZNAQJ-JGCGQSQUSA-N 1 0 601.694 6.094 1 0 KKAFRO CCS(=O)(=O)N1CCN(C(=O)Oc2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CC[NH2+]CCCCc4ccc(O)cc4)c3c2)CC1 ZINC000027561211 561870738 /nfs/dbraw/zinc/87/07/38/561870738.db2.gz PBXOGNAJHRUCOG-UHFFFAOYSA-N 1 0 632.827 5.778 1 0 KKAFRO CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2CCC[NH3+])c(F)c1 ZINC000027562300 561871069 /nfs/dbraw/zinc/87/10/69/561871069.db2.gz ILARVNIFBRWOQW-UHFFFAOYSA-N 1 0 560.573 5.244 1 0 KKAFRO CCOP(=O)(OCC)OC1=CC[N@H+](Cc2ccccc2)C[C@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564674 561872042 /nfs/dbraw/zinc/87/20/42/561872042.db2.gz UMICGKRYLVIYSJ-RUZDIDTESA-N 1 0 554.624 7.181 1 0 KKAFRO Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CC[N@@H+]4CC2CC2)[C@H]3O6)cc1 ZINC000027620913 561872575 /nfs/dbraw/zinc/87/25/75/561872575.db2.gz IHKXHYSWZMLTBZ-LMUOQGPPSA-N 1 0 544.695 5.917 1 0 KKAFRO O=C1CC[C@@](CC[NH+]2CC(N3CCO[C@@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027623371 561872845 /nfs/dbraw/zinc/87/28/45/561872845.db2.gz YBYSBOXLPMEIAC-VTIYRKAUSA-N 1 0 578.584 6.202 1 0 KKAFRO CCCCc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705956 561878754 /nfs/dbraw/zinc/87/87/54/561878754.db2.gz JSSSKYCPNUOBGL-CZIZESTLSA-N 1 0 510.726 5.741 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc(F)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705911 561878757 /nfs/dbraw/zinc/87/87/57/561878757.db2.gz NXKJUGPOZWOVPC-UHFFFAOYSA-N 1 0 604.682 6.497 1 0 KKAFRO O=C(/C=C/c1ccc(Oc2ccccc2)nc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027655831 561877520 /nfs/dbraw/zinc/87/75/20/561877520.db2.gz KHFBZGCVIWDUMD-CZIZESTLSA-N 1 0 546.715 6.191 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(Cl)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027707565 561878952 /nfs/dbraw/zinc/87/89/52/561878952.db2.gz WBHJVSYCARQJAN-UHFFFAOYSA-N 1 0 621.137 7.011 1 0 KKAFRO CCCCc1ccc(C[NH2+]Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027734596 561881712 /nfs/dbraw/zinc/88/17/12/561881712.db2.gz ZUDMJEHDXNDJCN-UHFFFAOYSA-N 1 0 504.638 5.376 1 0 KKAFRO COc1ccc([C@@H]2Sc3cc(F)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027736162 561881853 /nfs/dbraw/zinc/88/18/53/561881853.db2.gz AEKRAIGQUFARMX-FTJBHMTQSA-N 1 0 508.615 5.110 1 0 KKAFRO CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@H](OCCCCCCOCCCCCc2ccccc2)C1 ZINC000027740428 561882535 /nfs/dbraw/zinc/88/25/35/561882535.db2.gz XWVOBBUZTLULSD-CDZUIXILSA-N 1 0 569.763 5.848 1 0 KKAFRO COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742403 561882654 /nfs/dbraw/zinc/88/26/54/561882654.db2.gz YZWWEMUJDZEDSE-IZZNHLLZSA-N 1 0 525.070 5.624 1 0 KKAFRO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2ccccc2)CC1)C(C)=O ZINC000027868493 561887974 /nfs/dbraw/zinc/88/79/74/561887974.db2.gz AXHGMEAMIKHBDC-SSEXGKCCSA-N 1 0 552.719 5.132 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCC[C@@]2(c3ccc(F)cc3)OCCc3cc(OC)c(OC)cc32)CC1 ZINC000027884708 561889432 /nfs/dbraw/zinc/88/94/32/561889432.db2.gz HSQHFFBLIVRFMK-HKBQPEDESA-N 1 0 520.645 5.270 1 0 KKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3ccccc3Cl)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887148 561889569 /nfs/dbraw/zinc/88/95/69/561889569.db2.gz UTUCRGRDOADXJQ-PMERELPUSA-N 1 0 525.064 5.915 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccc3cnccc3c2)c1 ZINC000027897128 561890424 /nfs/dbraw/zinc/89/04/24/561890424.db2.gz JNDYSDUBUODZKY-LQVXTUBTSA-N 1 0 626.889 9.147 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]cnc3c2)c1 ZINC000027982102 561891829 /nfs/dbraw/zinc/89/18/29/561891829.db2.gz RXVQNEUGWIPVMN-WDEPAJCISA-N 1 0 587.812 7.695 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3ncoc3c2)c1 ZINC000027988103 561892543 /nfs/dbraw/zinc/89/25/43/561892543.db2.gz JXACWAYOHPUWAF-WPCLDFDBSA-N 1 0 602.823 8.207 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000027994270 561893572 /nfs/dbraw/zinc/89/35/72/561893572.db2.gz QPRJFMGZPNDHJS-YTTGMZPUSA-N 1 0 612.554 5.245 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027995861 561893744 /nfs/dbraw/zinc/89/37/44/561893744.db2.gz CRTJVWSMULCYJN-XIFFEERXSA-N 1 0 642.580 5.760 1 0 KKAFRO COc1cc2c(cc1OCC[NH+]1CCC(CO)CC1)nccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027997754 561894153 /nfs/dbraw/zinc/89/41/53/561894153.db2.gz DZWNRLQHJUUWFF-UHFFFAOYSA-N 1 0 555.719 7.160 1 0 KKAFRO Cc1cc(OCc2ccc(C(C)(C)C)cc2)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000028002423 561894941 /nfs/dbraw/zinc/89/49/41/561894941.db2.gz FOEBZCFJODUQDF-NJHZRGNWSA-N 1 0 543.752 5.303 1 0 KKAFRO O=C(CCC1CC[NH2+]CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028008515 561896028 /nfs/dbraw/zinc/89/60/28/561896028.db2.gz UZAUACUHKJBFBZ-VWLOTQADSA-N 1 0 567.574 6.215 1 0 KKAFRO CCCn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028010068 561896249 /nfs/dbraw/zinc/89/62/49/561896249.db2.gz KDBYGNXOSUZUDJ-UQDPWRLZSA-N 1 0 596.860 7.007 1 0 KKAFRO CCOC1(c2ccccc2)CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010058 561896267 /nfs/dbraw/zinc/89/62/67/561896267.db2.gz XRYBFLWUJSWSOS-AREMUKBSSA-N 1 0 539.547 7.267 1 0 KKAFRO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013581 561896784 /nfs/dbraw/zinc/89/67/84/561896784.db2.gz MEIWEAHNGJVULN-NXLXXTAESA-N 1 0 678.893 8.354 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014575 561897142 /nfs/dbraw/zinc/89/71/42/561897142.db2.gz DOPPOXSLOURTSB-FZKFUBHISA-N 1 0 589.800 6.069 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016364 561897443 /nfs/dbraw/zinc/89/74/43/561897443.db2.gz SESNYPNPIJXNNP-DSYZROQBSA-N 1 0 602.839 7.151 1 0 KKAFRO Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000028018379 561897878 /nfs/dbraw/zinc/89/78/78/561897878.db2.gz OFEZZDSSTUQAKL-XNMGPUDCSA-N 1 0 523.518 8.609 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028019886 561898256 /nfs/dbraw/zinc/89/82/56/561898256.db2.gz YHXSYDDMGBQKTA-NZUHDKDNSA-N 1 0 604.767 5.756 1 0 KKAFRO CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022008 561898674 /nfs/dbraw/zinc/89/86/74/561898674.db2.gz ALNIPKRVLOOYCX-LYEZUSGXSA-N 1 0 602.839 7.151 1 0 KKAFRO COc1ccc(OCCCC[N@H+](CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022572 561898821 /nfs/dbraw/zinc/89/88/21/561898821.db2.gz BCCBFGWJXWGRSI-UMSFTDKQSA-N 1 0 606.785 6.745 1 0 KKAFRO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000028086589 561899226 /nfs/dbraw/zinc/89/92/26/561899226.db2.gz CAQXAJWFVJDJDE-JYFHCDHNSA-N 1 0 534.595 5.387 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088080 561899439 /nfs/dbraw/zinc/89/94/39/561899439.db2.gz BYGHXMKCHHHFAS-FZKFUBHISA-N 1 0 658.781 6.968 1 0 KKAFRO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)c1 ZINC000028092242 561900085 /nfs/dbraw/zinc/90/00/85/561900085.db2.gz ZMWYPHJRULTAQZ-XNMGPUDCSA-N 1 0 530.632 5.177 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CC[C@@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000028093243 561900335 /nfs/dbraw/zinc/90/03/35/561900335.db2.gz WBKRXYVTNUALQH-UUWRZZSWSA-N 1 0 622.637 6.403 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093220 561900366 /nfs/dbraw/zinc/90/03/66/561900366.db2.gz HLZAJLBSYWFNOU-BYBKDXPSSA-N 1 0 666.882 7.606 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028096648 561900898 /nfs/dbraw/zinc/90/08/98/561900898.db2.gz AZCPMEMQWSWETI-PEMZAYNASA-N 1 0 608.774 6.175 1 0 KKAFRO O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000028098052 561901096 /nfs/dbraw/zinc/90/10/96/561901096.db2.gz KUKJOLRCPDCJAJ-UUWRZZSWSA-N 1 0 650.908 6.222 1 0 KKAFRO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028099415 561901424 /nfs/dbraw/zinc/90/14/24/561901424.db2.gz TXDOSWQGMXTMBQ-LEFKNYOOSA-N 1 0 628.755 7.046 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028100285 561901563 /nfs/dbraw/zinc/90/15/63/561901563.db2.gz VRGCBLCNWHWXFW-ZEQKJWHPSA-N 1 0 584.602 6.267 1 0 KKAFRO COc1ccc(CC(C)(C)[NH2+]C[C@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2)cc1OC ZINC000028103966 561902024 /nfs/dbraw/zinc/90/20/24/561902024.db2.gz GHOOLNQEESNSKW-NRFANRHFSA-N 1 0 507.656 5.173 1 0 KKAFRO C[N@@H+]1CCCN(c2cccc(-c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cn4)cc3)c2)CC1 ZINC000028104507 561902159 /nfs/dbraw/zinc/90/21/59/561902159.db2.gz DDBPATJFLOVVBV-UHFFFAOYSA-N 1 0 574.512 6.702 1 0 KKAFRO C[N@@H+]1CCCN(CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028104748 561902213 /nfs/dbraw/zinc/90/22/13/561902213.db2.gz MGFWTVPFIGCNLG-UHFFFAOYSA-N 1 0 622.835 7.057 1 0 KKAFRO O=C(NC[C@@H](CCN1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000028116606 561903822 /nfs/dbraw/zinc/90/38/22/561903822.db2.gz TXRMMMQHBVOSRA-OAQYLSRUSA-N 1 0 537.963 6.893 1 0 KKAFRO C[NH+](C)CCCn1nc(C2=C(c3cn(-c4cncc5ccccc54)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000028117351 561903951 /nfs/dbraw/zinc/90/39/51/561903951.db2.gz LMIPLKOPDQGFNB-UHFFFAOYSA-N 1 0 540.627 5.047 1 0 KKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117230 561903952 /nfs/dbraw/zinc/90/39/52/561903952.db2.gz TVYIJPQJDGLEQL-JOCHJYFZSA-N 1 0 580.478 8.387 1 0 KKAFRO Cc1c(-c2ccccc2F)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1ccccc1SC(F)(F)F ZINC000028118755 561904234 /nfs/dbraw/zinc/90/42/34/561904234.db2.gz UWMGDPVBUXESEM-QFIPXVFZSA-N 1 0 529.559 5.485 1 0 KKAFRO NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000028124884 561904751 /nfs/dbraw/zinc/90/47/51/561904751.db2.gz BHFJQXAFTZBCCB-BHVANESWSA-N 1 0 660.859 5.342 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000028126379 561904912 /nfs/dbraw/zinc/90/49/12/561904912.db2.gz HCNXPYMDAMAEAE-LOSJGSFVSA-N 1 0 590.756 6.675 1 0 KKAFRO O=C(c1ccc2ncccc2c1)N1CCC([N@H+]2CC[C@H](Cc3ccc(Cl)c(Cl)c3)[C@H](CF)C2)CC1 ZINC000028130379 561905628 /nfs/dbraw/zinc/90/56/28/561905628.db2.gz FVAOVJNENUJPIS-NFBKMPQASA-N 1 0 514.472 6.297 1 0 KKAFRO O=C(c1ccc2ncccc2c1)N1CCC([N@H+]2CC[C@H](Cc3ccc(Cl)c(Cl)c3)[C@H](CO)C2)CC1 ZINC000028130372 561905653 /nfs/dbraw/zinc/90/56/53/561905653.db2.gz BKSRLDUBSLBPQQ-OFNKIYASSA-N 1 0 512.481 5.319 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222856 561907505 /nfs/dbraw/zinc/90/75/05/561907505.db2.gz XAFRMWKYQDAPBI-BVKVFWBXSA-N 1 0 589.664 10.001 1 0 KKAFRO CC(C)NC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028244720 561910675 /nfs/dbraw/zinc/91/06/75/561910675.db2.gz WCNLMXWMUNFZFK-UHFFFAOYSA-N 1 0 679.793 7.369 1 0 KKAFRO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCC[NH+]4CCCCC4)ccc3[nH]2)n(C)c1 ZINC000028252199 561911130 /nfs/dbraw/zinc/91/11/30/561911130.db2.gz OYCPGVABDCYUQL-UHFFFAOYSA-N 1 0 633.178 5.342 1 0 KKAFRO CCc1cc(NC(=O)NC[C@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@@H]2c2ccccc2)cc(-c2nnnn2C)c1 ZINC000028331860 561912839 /nfs/dbraw/zinc/91/28/39/561912839.db2.gz VEPDAXLMTILHTF-LITSAYRRSA-N 1 0 541.675 5.049 1 0 KKAFRO COc1ccccc1CC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028336404 561913369 /nfs/dbraw/zinc/91/33/69/561913369.db2.gz DWWZDRDKNJDHBS-MGBGTMOVSA-N 1 0 557.735 5.178 1 0 KKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[C@@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234835 561909570 /nfs/dbraw/zinc/90/95/70/561909570.db2.gz NMMHDJMVQJIRJO-TUXGATLDSA-N 1 0 540.695 5.502 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028236761 561909830 /nfs/dbraw/zinc/90/98/30/561909830.db2.gz YDBGAVBSGNGJBY-QTKNLHBISA-N 1 0 534.716 6.250 1 0 KKAFRO CO[C@@H]1C[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028367077 561917650 /nfs/dbraw/zinc/91/76/50/561917650.db2.gz QAGFIGGUESYAIG-UHSQPCAPSA-N 1 0 642.266 5.160 1 0 KKAFRO O=C(CC[NH+]1CCC(O)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028379156 561919844 /nfs/dbraw/zinc/91/98/44/561919844.db2.gz QTSMYNTYQCWCES-UHFFFAOYSA-N 1 0 540.991 5.081 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N)cc1 ZINC000028380666 561920009 /nfs/dbraw/zinc/92/00/09/561920009.db2.gz JSAIZRIJWCBVTM-QHCPKHFHSA-N 1 0 526.508 5.805 1 0 KKAFRO COc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)cc1 ZINC000028390493 561922104 /nfs/dbraw/zinc/92/21/04/561922104.db2.gz PBOFLUMIUBFFIE-VWLOTQADSA-N 1 0 575.641 5.221 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000028396078 561923049 /nfs/dbraw/zinc/92/30/49/561923049.db2.gz RXXVGNIRWRKRRT-HKBQPEDESA-N 1 0 653.768 6.557 1 0 KKAFRO CC[C@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000028459758 561924791 /nfs/dbraw/zinc/92/47/91/561924791.db2.gz JZWPGSFFJGSHMD-NDEPHWFRSA-N 1 0 528.649 5.538 1 0 KKAFRO FC(F)(F)c1nc2n(c3ccccc3n2-c2ccc(Cl)cc2Cl)c1C[NH+](CC1CC1)CC1CC1 ZINC000028460145 561924870 /nfs/dbraw/zinc/92/48/70/561924870.db2.gz QHDXBOVZVONZJG-UHFFFAOYSA-N 1 0 507.387 7.226 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000028460151 561924936 /nfs/dbraw/zinc/92/49/36/561924936.db2.gz YWHVFSPEKFJSMX-LEFTWQHSSA-N 1 0 672.078 7.183 1 0 KKAFRO COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3CC[NH2+]C[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461599 561925266 /nfs/dbraw/zinc/92/52/66/561925266.db2.gz HQLXQTOXHLBXLG-PWAOXRIQSA-N 1 0 623.194 6.625 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CC[NH2+]C[C@@H]3c3ccc(Cl)cc3)c2=O)cc1 ZINC000028462842 561925626 /nfs/dbraw/zinc/92/56/26/561925626.db2.gz WIUDDWAORNAXRU-HAQLSYKPSA-N 1 0 637.633 6.530 1 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@@H]3c3ccccc3F)c2=O)cc1 ZINC000028463888 561925968 /nfs/dbraw/zinc/92/59/68/561925968.db2.gz UOBJNNBHUVYVRA-NRZUKODWSA-N 1 0 621.178 6.015 1 0 KKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472096 561927090 /nfs/dbraw/zinc/92/70/90/561927090.db2.gz LISDALNKNJFZIL-NRFANRHFSA-N 1 0 539.507 5.217 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCC([N@@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472632 561927274 /nfs/dbraw/zinc/92/72/74/561927274.db2.gz HXLPXRVFECQWCN-LJQANCHMSA-N 1 0 555.510 5.185 1 0 KKAFRO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028474825 561927711 /nfs/dbraw/zinc/92/77/11/561927711.db2.gz WCKZXUZPEYGEII-RTWAWAEBSA-N 1 0 525.524 6.209 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028474846 561927746 /nfs/dbraw/zinc/92/77/46/561927746.db2.gz NKESGSSPZVLTKI-NRFANRHFSA-N 1 0 511.497 5.648 1 0 KKAFRO CCOc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028477777 561928741 /nfs/dbraw/zinc/92/87/41/561928741.db2.gz GVDSXDNAIPJAFW-QHCPKHFHSA-N 1 0 545.508 5.121 1 0 KKAFRO O=C(N[C@H](Cc1cccc2ccccc21)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028521049 561929178 /nfs/dbraw/zinc/92/91/78/561929178.db2.gz DHWNJKXWYRIUGH-PGUFJCEWSA-N 1 0 632.830 6.420 1 0 KKAFRO O=C(NCc1ccccc1F)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028522029 561929471 /nfs/dbraw/zinc/92/94/71/561929471.db2.gz CJYACAQSCXVWGG-WJOKGBTCSA-N 1 0 668.666 6.286 1 0 KKAFRO CCC[N@H+]1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522916 561929685 /nfs/dbraw/zinc/92/96/85/561929685.db2.gz ZWKRKMCSEOLRAV-PLQXJYEYSA-N 1 0 548.731 6.731 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCc3ccccc3)cs2)cc1 ZINC000028523517 561930248 /nfs/dbraw/zinc/93/02/48/561930248.db2.gz WESYVJWTVCWXOW-XIFFEERXSA-N 1 0 597.806 6.186 1 0 KKAFRO COc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523904 561930604 /nfs/dbraw/zinc/93/06/04/561930604.db2.gz VGXGGSFQUCVCSE-RUZDIDTESA-N 1 0 504.597 5.527 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1 ZINC000028527451 561932548 /nfs/dbraw/zinc/93/25/48/561932548.db2.gz YCUBESUJZDJYCJ-MGBGTMOVSA-N 1 0 605.845 6.310 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000028528562 561933143 /nfs/dbraw/zinc/93/31/43/561933143.db2.gz MQQOONUJSDUZQC-PMERELPUSA-N 1 0 536.713 5.307 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(SC)cc2)CC1 ZINC000028528911 561933417 /nfs/dbraw/zinc/93/34/17/561933417.db2.gz HPLNXPONOZSDRJ-HKBQPEDESA-N 1 0 564.817 5.890 1 0 KKAFRO CC1(C)C=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC(C)(C)[NH2+]1 ZINC000028565226 561936024 /nfs/dbraw/zinc/93/60/24/561936024.db2.gz AFYPLGXAWPGZHZ-UHFFFAOYSA-N 1 0 555.908 8.691 1 0 KKAFRO O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000028566841 561936464 /nfs/dbraw/zinc/93/64/64/561936464.db2.gz DCEAJJZHQFOWRL-UHFFFAOYSA-N 1 0 518.086 6.456 1 0 KKAFRO Cc1cc(NCCC[NH+]2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 ZINC000028567113 561936592 /nfs/dbraw/zinc/93/65/92/561936592.db2.gz BQCKQFOLQAVCNK-UHFFFAOYSA-N 1 0 542.026 6.073 1 0 KKAFRO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])C3)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568899 561937510 /nfs/dbraw/zinc/93/75/10/561937510.db2.gz JBRMBTUADMJWQH-FXZPAHAQSA-N 1 0 513.682 5.170 1 0 KKAFRO CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(C[NH+](C)C)cc2C(=O)[O-])c1F)C(C)C ZINC000028570437 561938719 /nfs/dbraw/zinc/93/87/19/561938719.db2.gz IJKQAGYWUDAABY-UHFFFAOYSA-N 1 0 541.599 5.611 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000028604074 561940553 /nfs/dbraw/zinc/94/05/53/561940553.db2.gz HFUSUPAIAACTTQ-WEVVVXLNSA-N 1 0 541.882 5.935 1 0 KKAFRO Cc1ccc(NC(=O)N2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028604238 561940604 /nfs/dbraw/zinc/94/06/04/561940604.db2.gz AUHQTQNYDVYBLT-XYOKQWHBSA-N 1 0 503.474 5.451 1 0 KKAFRO COc1ccc(C(c2ccc(OC)cc2)=C2C[C@H](c3ccc(OCC[NH+]4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604464 561940679 /nfs/dbraw/zinc/94/06/79/561940679.db2.gz QLVVURMRPGJPEO-PSXMRANNSA-N 1 0 591.748 8.060 1 0 KKAFRO O=C(CCOc1c[nH]c2ccccc21)NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000028637611 561941835 /nfs/dbraw/zinc/94/18/35/561941835.db2.gz IXWRDMDQHRVXPS-UHFFFAOYSA-N 1 0 505.062 6.416 1 0 KKAFRO O=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)C[NH2+]C[C@@H]1CCCO1)NCCC(c1ccccc1)c1ccccc1 ZINC000028640514 561942909 /nfs/dbraw/zinc/94/29/09/561942909.db2.gz LDBKYPUSVXWURX-DHUJRADRSA-N 1 0 603.807 6.144 1 0 KKAFRO CC(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028642907 561943905 /nfs/dbraw/zinc/94/39/05/561943905.db2.gz RXMOHCXBCOKQLM-LOYHVIPDSA-N 1 0 557.716 5.388 1 0 KKAFRO COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000028709294 561950626 /nfs/dbraw/zinc/95/06/26/561950626.db2.gz XUKMGDYJPVBSDG-UUWRZZSWSA-N 1 0 566.723 6.542 1 0 KKAFRO COc1ccc([C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000028709285 561950659 /nfs/dbraw/zinc/95/06/59/561950659.db2.gz BCBBFKYJEZTSLR-JGCGQSQUSA-N 1 0 540.685 6.008 1 0 KKAFRO CCCCCC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704027 561948124 /nfs/dbraw/zinc/94/81/24/561948124.db2.gz PZTOZWZKJLRLIC-OHZZBQFHSA-N 1 0 620.722 9.156 1 0 KKAFRO COC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704092 561948319 /nfs/dbraw/zinc/94/83/19/561948319.db2.gz PBLHODZBJXXWDD-WMQPQHNASA-N 1 0 530.606 5.953 1 0 KKAFRO COC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704086 561948327 /nfs/dbraw/zinc/94/83/27/561948327.db2.gz PBLHODZBJXXWDD-JEDUBMGFSA-N 1 0 530.606 5.953 1 0 KKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704253 561948520 /nfs/dbraw/zinc/94/85/20/561948520.db2.gz ZHEYTIRGUSABKH-MUUNZHRXSA-N 1 0 582.166 6.021 1 0 KKAFRO COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccncc5)cc4)CC3)C2=O)c1 ZINC000028704492 561948559 /nfs/dbraw/zinc/94/85/59/561948559.db2.gz FLYSTSPNPXBSFJ-UHFFFAOYSA-N 1 0 550.634 5.900 1 0 KKAFRO NC(=[NH2+])NCCCc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711859 561952438 /nfs/dbraw/zinc/95/24/38/561952438.db2.gz FFCZMXGHKIOBRB-UHFFFAOYSA-N 1 0 508.670 6.161 1 0 KKAFRO COc1ccc(C2=NO[C@H](CCC[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000028712808 561953495 /nfs/dbraw/zinc/95/34/95/561953495.db2.gz PBLLZSMBTAPYBH-HHHXNRCGSA-N 1 0 535.635 5.662 1 0 KKAFRO CC(C)C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713343 561953868 /nfs/dbraw/zinc/95/38/68/561953868.db2.gz APBIHLSOTXCQRP-IVDKHPMNSA-N 1 0 598.788 5.364 1 0 KKAFRO O=C(Cc1ccc(Cl)cc1Cl)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000028714018 561954478 /nfs/dbraw/zinc/95/44/78/561954478.db2.gz RAQDPXJBICSOMR-UHFFFAOYSA-N 1 0 548.946 5.364 1 0 KKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000028765174 561959441 /nfs/dbraw/zinc/95/94/41/561959441.db2.gz ADXFJIYJEFFOSY-MGBGTMOVSA-N 1 0 591.583 6.814 1 0 KKAFRO Cc1c(/C=C/C[N@H+](C)Cc2ccccc2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000028765989 561959738 /nfs/dbraw/zinc/95/97/38/561959738.db2.gz KVIAFXPENGVEIA-MDWZMJQESA-N 1 0 532.475 6.919 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2ccccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028816508 561964213 /nfs/dbraw/zinc/96/42/13/561964213.db2.gz MDCFFHONKSCJGV-YWEHKCAJSA-N 1 0 578.150 5.851 1 0 KKAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817313 561964572 /nfs/dbraw/zinc/96/45/72/561964572.db2.gz VCZZEMKHLLGOGU-BMPTZRATSA-N 1 0 685.878 5.196 1 0 KKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)C[C@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822153 561966739 /nfs/dbraw/zinc/96/67/39/561966739.db2.gz GTWJLVCVJTUVNI-WXVAWEFUSA-N 1 0 536.655 6.381 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823032 561967677 /nfs/dbraw/zinc/96/76/77/561967677.db2.gz FHCADJVYXDSHBL-HSZRJFAPSA-N 1 0 592.681 6.915 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2cc4n[nH]nc4cc2F)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823042 561967709 /nfs/dbraw/zinc/96/77/09/561967709.db2.gz PJKGFUZNPWBLJQ-OAQYLSRUSA-N 1 0 650.696 6.930 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(=O)n(C)c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823036 561967731 /nfs/dbraw/zinc/96/77/31/561967731.db2.gz WFRKLNISCDYILH-HSZRJFAPSA-N 1 0 622.707 6.218 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nn[nH]n4)nc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823044 561967854 /nfs/dbraw/zinc/96/78/54/561967854.db2.gz PXZALGIVSWJEFU-JOCHJYFZSA-N 1 0 660.720 6.095 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc4[nH]ccc43)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823424 561968085 /nfs/dbraw/zinc/96/80/85/561968085.db2.gz SIQLELUWBJDOKJ-UHFFFAOYSA-N 1 0 556.799 7.672 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823435 561968101 /nfs/dbraw/zinc/96/81/01/561968101.db2.gz CHGWCIZLGDMPIW-UHFFFAOYSA-N 1 0 558.836 8.328 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)CCCCc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824098 561968850 /nfs/dbraw/zinc/96/88/50/561968850.db2.gz KWTVRDZBBAJQGX-PDRDTOBSSA-N 1 0 615.262 6.608 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000028824399 561969527 /nfs/dbraw/zinc/96/95/27/561969527.db2.gz ORQXDIOLDRAYDZ-XMMPIXPASA-N 1 0 565.640 5.195 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824376 561969542 /nfs/dbraw/zinc/96/95/42/561969542.db2.gz UUGWWDUNCOPXGB-DEOSSOPVSA-N 1 0 600.682 6.068 1 0 KKAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3coc4cc(F)ccc43)CC2)C1 ZINC000028824375 561969555 /nfs/dbraw/zinc/96/95/55/561969555.db2.gz WMOVJGHIZPEMGK-XMMPIXPASA-N 1 0 584.614 5.599 1 0 KKAFRO C[NH+](C)CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825280 561970681 /nfs/dbraw/zinc/97/06/81/561970681.db2.gz KDRFRAVOXVJDLI-UHFFFAOYSA-N 1 0 592.140 5.469 1 0 KKAFRO CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000028825736 561970954 /nfs/dbraw/zinc/97/09/54/561970954.db2.gz QQACNENYKQEBPA-BJKOFHAPSA-N 1 0 573.487 5.454 1 0 KKAFRO COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc32)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825986 561971051 /nfs/dbraw/zinc/97/10/51/561971051.db2.gz ALEPAKIZRXGWQO-UHFFFAOYSA-N 1 0 649.876 8.069 1 0 KKAFRO CCOc1cc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)ccc1OC ZINC000028825981 561971086 /nfs/dbraw/zinc/97/10/86/561971086.db2.gz DPVIKABSFORINW-UHFFFAOYSA-N 1 0 559.795 7.393 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc43)CC2)CC1 ZINC000028826076 561971135 /nfs/dbraw/zinc/97/11/35/561971135.db2.gz JUMSMUNNVHJXRS-UHFFFAOYSA-N 1 0 627.820 8.560 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@H](CC(C)C)NC(=O)CC[NH+](C)C)c1 ZINC000028826792 561971320 /nfs/dbraw/zinc/97/13/20/561971320.db2.gz WVDXXZITSATFRU-YWEHKCAJSA-N 1 0 541.180 5.331 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CC[NH+](CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826539 561971330 /nfs/dbraw/zinc/97/13/30/561971330.db2.gz YRGWVXKOYLUADE-UHFFFAOYSA-N 1 0 625.210 5.712 1 0 KKAFRO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(Cl)c4)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028863460 561972383 /nfs/dbraw/zinc/97/23/83/561972383.db2.gz HDICPSDHSOCBGG-UHFFFAOYSA-N 1 0 653.209 5.035 1 0 KKAFRO NC(=[NH2+])Nc1ccc(C[C@H](NS(=O)(=O)c2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869467 561973763 /nfs/dbraw/zinc/97/37/63/561973763.db2.gz GCGJCPGMBVJZFF-SSEXGKCCSA-N 1 0 600.637 6.343 1 0 KKAFRO O=C(NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000028869755 561973851 /nfs/dbraw/zinc/97/38/51/561973851.db2.gz MLUHKGHTLUYKBS-HKBQPEDESA-N 1 0 512.097 6.410 1 0 KKAFRO COc1ccccc1-c1ccc(CN(CC(=O)C(C)(C)O)C(=O)NC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000028874143 561975056 /nfs/dbraw/zinc/97/50/56/561975056.db2.gz MPMZXEYTUKXJGY-UHFFFAOYSA-N 1 0 543.708 5.187 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NCc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874973 561975468 /nfs/dbraw/zinc/97/54/68/561975468.db2.gz ISDZBFORXHKYAN-YTTGMZPUSA-N 1 0 584.761 5.567 1 0 KKAFRO COc1cc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)ccc1OCC[NH+]1CCCCC1 ZINC000028879192 561976211 /nfs/dbraw/zinc/97/62/11/561976211.db2.gz IOSKHROQBBQEOB-DEOSSOPVSA-N 1 0 528.653 6.021 1 0 KKAFRO CC(C)(OC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880585 561976758 /nfs/dbraw/zinc/97/67/58/561976758.db2.gz HSHATGMVTYSDEB-VMPREFPWSA-N 1 0 606.204 6.629 1 0 KKAFRO O=C(OC[C@H]1CCc2c(F)ccc(F)c2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880460 561976773 /nfs/dbraw/zinc/97/67/73/561976773.db2.gz SLJGZZWFAUNAKU-OAQYLSRUSA-N 1 0 568.086 5.215 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887327 561977798 /nfs/dbraw/zinc/97/77/98/561977798.db2.gz HCJUSKUWEJDLIV-JOCHJYFZSA-N 1 0 567.561 7.395 1 0 KKAFRO CC[C@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887342 561977799 /nfs/dbraw/zinc/97/77/99/561977799.db2.gz OJSYDGKOJKXORO-MUUNZHRXSA-N 1 0 581.588 7.785 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C ZINC000028887357 561977819 /nfs/dbraw/zinc/97/78/19/561977819.db2.gz XFXXRSCPBSTFIY-SSEXGKCCSA-N 1 0 595.615 8.031 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2ccccc2Cl)nn1-c1ccc2ccccc2c1 ZINC000028887430 561977892 /nfs/dbraw/zinc/97/78/92/561977892.db2.gz JWJVEKNSOBKQLT-DEOSSOPVSA-N 1 0 531.144 7.295 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 ZINC000028887457 561977910 /nfs/dbraw/zinc/97/79/10/561977910.db2.gz WYNDQLAKITVAEF-RUZDIDTESA-N 1 0 526.725 6.651 1 0 KKAFRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028887504 561977936 /nfs/dbraw/zinc/97/79/36/561977936.db2.gz NDGAGDVBEOJCDS-LJQANCHMSA-N 1 0 651.523 8.833 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2cccc(OCCC[NH+]3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000028892303 561978268 /nfs/dbraw/zinc/97/82/68/561978268.db2.gz RCNYNSOKMPDQDD-RUZDIDTESA-N 1 0 539.720 6.475 1 0 KKAFRO C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c2ccccc2n(C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000028892322 561978277 /nfs/dbraw/zinc/97/82/77/561978277.db2.gz OSAJOJOSELCPNF-GDLZYMKVSA-N 1 0 629.801 7.247 1 0 KKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1[C@H](C)NC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000028892336 561978281 /nfs/dbraw/zinc/97/82/81/561978281.db2.gz KDVOMBYVUBSMGG-YTMVLYRLSA-N 1 0 640.828 7.992 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2cccc(F)c2)n1C ZINC000028897721 561979347 /nfs/dbraw/zinc/97/93/47/561979347.db2.gz ZNFLKLSUIFKNRG-UHFFFAOYSA-N 1 0 597.081 5.905 1 0 KKAFRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000028953859 561982589 /nfs/dbraw/zinc/98/25/89/561982589.db2.gz VXQJDXAWIYEKSX-HSZRJFAPSA-N 1 0 637.673 6.076 1 0 KKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cn(C)c5ccc(Br)cc45)C3)nc2c1 ZINC000028951101 561981447 /nfs/dbraw/zinc/98/14/47/561981447.db2.gz HGQDAFURKJZBLS-SFTDATJTSA-N 1 0 507.476 6.319 1 0 KKAFRO O=C(C1CCCC1)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953925 561982767 /nfs/dbraw/zinc/98/27/67/561982767.db2.gz OGQIKHRXRFECBY-ZWXJPIIXSA-N 1 0 591.240 5.709 1 0 KKAFRO CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNc3ccccc3N)CC2)C1 ZINC000028959803 561983895 /nfs/dbraw/zinc/98/38/95/561983895.db2.gz FBIQPSLTXDNNNP-RRPNLBNLSA-N 1 0 532.132 5.307 1 0 KKAFRO CO[C@@H]1CCN(C(=O)C2CC[NH+](CCc3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)sc4[nH]c3-c3cc(C)cc(C)c3)CC2)C1 ZINC000028961696 561984432 /nfs/dbraw/zinc/98/44/32/561984432.db2.gz XNWCMYDECGZYSI-BVDFDZHASA-N 1 0 630.899 6.446 1 0 KKAFRO C[NH2+]CC1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1Cl)c1ccccc1C2 ZINC000028962433 561984569 /nfs/dbraw/zinc/98/45/69/561984569.db2.gz SZTDJVOSYSXAKM-HKBQPEDESA-N 1 0 532.059 6.559 1 0 KKAFRO O=C(NCCCCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967515 561985249 /nfs/dbraw/zinc/98/52/49/561985249.db2.gz OZPJYFKVXGFPAS-UHFFFAOYSA-N 1 0 528.722 6.658 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCC1 ZINC000028967805 561985327 /nfs/dbraw/zinc/98/53/27/561985327.db2.gz DGSLFPMHFOWLJO-DNQXCXABSA-N 1 0 512.679 6.475 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(Cc3ccco3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986503 /nfs/dbraw/zinc/98/65/03/561986503.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 1 0 567.731 5.353 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975361 561986593 /nfs/dbraw/zinc/98/65/93/561986593.db2.gz DVQYUNXWAFACOO-SCTDOJESSA-N 1 0 583.774 5.277 1 0 KKAFRO COc1ccc(NC(=O)[C@H]([NH2+]CCc2ccncc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976278 561986736 /nfs/dbraw/zinc/98/67/36/561986736.db2.gz HHTASDRYKNUPBC-GDLZYMKVSA-N 1 0 551.672 5.652 1 0 KKAFRO O=C(CCc1ccccc1)N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038667 561989174 /nfs/dbraw/zinc/98/91/74/561989174.db2.gz WLZVXPFXXASTLW-NDEPHWFRSA-N 1 0 510.707 5.397 1 0 KKAFRO CC(C)C[C@H]([NH2+]CCN(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039312 561989757 /nfs/dbraw/zinc/98/97/57/561989757.db2.gz OJRQHARTKOHUCE-PKTNWEFCSA-N 1 0 643.216 5.074 1 0 KKAFRO CCC[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040111 561990361 /nfs/dbraw/zinc/99/03/61/561990361.db2.gz RSPBPCIHBNXMEH-QFIPXVFZSA-N 1 0 514.554 7.026 1 0 KKAFRO COc1cccc(C2CC[NH+]([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 ZINC000029041046 561990880 /nfs/dbraw/zinc/99/08/80/561990880.db2.gz ZLIAFORUHVKWQY-NAKRPHOHSA-N 1 0 570.618 7.424 1 0 KKAFRO CN(CCCC(O)(c1ccccc1)c1ccccc1)CC[N@H+](C)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042882 561991763 /nfs/dbraw/zinc/99/17/63/561991763.db2.gz DXVBJRMJOOZUSG-UHFFFAOYSA-N 1 0 536.760 6.283 1 0 KKAFRO OC(CCCN1CC[NH+](CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029042960 561991802 /nfs/dbraw/zinc/99/18/02/561991802.db2.gz VEQFEAJMLZOADG-UHFFFAOYSA-N 1 0 534.744 6.037 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 ZINC000029043278 561991969 /nfs/dbraw/zinc/99/19/69/561991969.db2.gz MIAUOPQGTJQSKK-GKRYNVPLSA-N 1 0 621.035 7.049 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043535 561992024 /nfs/dbraw/zinc/99/20/24/561992024.db2.gz AZYLFDYQQJPDQC-GKRYNVPLSA-N 1 0 593.039 7.454 1 0 KKAFRO O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029045298 561992408 /nfs/dbraw/zinc/99/24/08/561992408.db2.gz ADCWDMMOFNYAJK-WUATYOAZSA-N 1 0 554.504 5.562 1 0 KKAFRO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048819 561993688 /nfs/dbraw/zinc/99/36/88/561993688.db2.gz CCWLNNLUNXJIPP-HHHXNRCGSA-N 1 0 539.643 5.244 1 0 KKAFRO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048822 561993750 /nfs/dbraw/zinc/99/37/50/561993750.db2.gz CCWLNNLUNXJIPP-MHZLTWQESA-N 1 0 539.643 5.244 1 0 KKAFRO c1ccc(-c2cc3ncccc3nc2-c2ccc(C[NH+]3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1 ZINC000029048909 561993871 /nfs/dbraw/zinc/99/38/71/561993871.db2.gz JUMLWRBRLDKLFH-UHFFFAOYSA-N 1 0 523.644 6.524 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@@H](C)C[NH2+]CCCCc2ccnnc2)c1 ZINC000029060359 561995640 /nfs/dbraw/zinc/99/56/40/561995640.db2.gz INQAGAZMKLUCAL-CSIYFNBESA-N 1 0 577.817 7.389 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ccsc4)c3=O)CC2)C(C)C)c1 ZINC000029062409 561996042 /nfs/dbraw/zinc/99/60/42/561996042.db2.gz HCQKPNWGBSJSPN-GDLZYMKVSA-N 1 0 533.738 6.360 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4noc(C(C)(C)C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062218 561996048 /nfs/dbraw/zinc/99/60/48/561996048.db2.gz OVRPSSWJEBYDJJ-MUUNZHRXSA-N 1 0 575.754 5.979 1 0 KKAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123153 561996559 /nfs/dbraw/zinc/99/65/59/561996559.db2.gz QAWCTNVPKLPJAX-UHFFFAOYSA-N 1 0 568.480 5.050 1 0 KKAFRO Nc1nnc(-c2cnc(-c3ccc(C[NH2+]CCC(=O)c4ccccc4N)cc3)c(-c3ccccc3)c2)s1 ZINC000029125614 561997819 /nfs/dbraw/zinc/99/78/19/561997819.db2.gz OSJIEYWNBNVXOV-UHFFFAOYSA-N 1 0 506.635 5.461 1 0 KKAFRO C[C@]12C[C@@H](Cc3ccc4nc(C(F)(F)F)ccc4c3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc3ccccc3s1)CS2 ZINC000029126106 561998436 /nfs/dbraw/zinc/99/84/36/561998436.db2.gz JRPRTXHMCGQVEK-GLGAHBAASA-N 1 0 697.809 5.107 1 0 KKAFRO Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126830 561999113 /nfs/dbraw/zinc/99/91/13/561999113.db2.gz CRDOKQQUTKTJRC-UHFFFAOYSA-N 1 0 527.632 5.421 1 0 KKAFRO Cc1nc2cc3c(c(C)c2o1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127469 561999960 /nfs/dbraw/zinc/99/99/60/561999960.db2.gz ACRMNEFOWLXFLY-UHFFFAOYSA-N 1 0 512.683 5.680 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128082 562000440 /nfs/dbraw/zinc/00/04/40/562000440.db2.gz MGGAVHMSVGABJH-NDVSTMMLSA-N 1 0 515.591 6.953 1 0 KKAFRO CCCCO[C@H]1CC[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)N(CCC)CCC)c2)C1 ZINC000029128829 562001294 /nfs/dbraw/zinc/00/12/94/562001294.db2.gz KFFGTGJROQQPNX-XFBWMNOSSA-N 1 0 587.752 5.175 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](CC3CCCCC3)CC[NH2+]2)c1 ZINC000029128882 562001299 /nfs/dbraw/zinc/00/12/99/562001299.db2.gz QUQBNDBRZFKIQQ-FLQGXGFZSA-N 1 0 611.818 6.576 1 0 KKAFRO CCC1([NH+]2CCC(c3cc(-c4ccc(F)cc4Cl)c4c(c3)N(c3c(Cl)cccc3Cl)C(=O)NC4)CC2)CC1 ZINC000029133923 562003781 /nfs/dbraw/zinc/00/37/81/562003781.db2.gz RUWJYZIJCACDAR-UHFFFAOYSA-N 1 0 572.939 8.936 1 0 KKAFRO CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1OCc1c(OC)c2ccccc2c(OC)c1C(F)(F)F ZINC000029134715 562004236 /nfs/dbraw/zinc/00/42/36/562004236.db2.gz CUNDWXXDJUICTG-UHFFFAOYSA-N 1 0 624.103 9.242 1 0 KKAFRO COc1c(C)c(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc21 ZINC000029134945 562004421 /nfs/dbraw/zinc/00/44/21/562004421.db2.gz OGRFAXUFZWCPOI-UHFFFAOYSA-N 1 0 506.090 7.327 1 0 KKAFRO Cc1cc(-c2cc(OC(=O)c3cccnc3)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135836 562004457 /nfs/dbraw/zinc/00/44/57/562004457.db2.gz CUAGTJFNOYOFKM-UHFFFAOYSA-N 1 0 581.076 6.486 1 0 KKAFRO CC(=O)Oc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCC[NH+]5CCCC5)cc4)nnc3c2)c1 ZINC000029136047 562004630 /nfs/dbraw/zinc/00/46/30/562004630.db2.gz HFUIAGDZNOQJQQ-UHFFFAOYSA-N 1 0 518.017 5.797 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc21 ZINC000029206298 562005158 /nfs/dbraw/zinc/00/51/58/562005158.db2.gz BSWOGLFJMBKYKY-UHFFFAOYSA-N 1 0 578.375 8.353 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000029213270 562006003 /nfs/dbraw/zinc/00/60/03/562006003.db2.gz ILXBHSJAXBREPQ-KDXMTYKHSA-N 1 0 702.856 5.907 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000029213262 562006039 /nfs/dbraw/zinc/00/60/39/562006039.db2.gz ILXBHSJAXBREPQ-LDLOPFEMSA-N 1 0 702.856 5.907 1 0 KKAFRO O=C(NC1CC[NH+](CC2=CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 ZINC000029223735 562007614 /nfs/dbraw/zinc/00/76/14/562007614.db2.gz FPZDCVJXZBDHJM-UHFFFAOYSA-N 1 0 588.384 7.310 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000029223777 562007632 /nfs/dbraw/zinc/00/76/32/562007632.db2.gz DDOOQGBORVRMMG-YTTGMZPUSA-N 1 0 621.719 5.530 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 ZINC000029334335 562014156 /nfs/dbraw/zinc/01/41/56/562014156.db2.gz AOUHAYHMZPANLU-NDEPHWFRSA-N 1 0 540.645 5.070 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029332420 562014007 /nfs/dbraw/zinc/01/40/07/562014007.db2.gz BPMKZPMGXUABDC-PMERELPUSA-N 1 0 638.668 6.001 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029317889 562012566 /nfs/dbraw/zinc/01/25/66/562012566.db2.gz XXQQFGMMETXGOJ-PMERELPUSA-N 1 0 622.669 6.013 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 ZINC000029317815 562012594 /nfs/dbraw/zinc/01/25/94/562012594.db2.gz SVSGFMKNOJDYEE-PMERELPUSA-N 1 0 574.747 5.916 1 0 KKAFRO CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029320351 562012922 /nfs/dbraw/zinc/01/29/22/562012922.db2.gz CRWBQDZJYVFCLP-NDEPHWFRSA-N 1 0 548.709 5.526 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCCC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335830 562014288 /nfs/dbraw/zinc/01/42/88/562014288.db2.gz LHMWCFQUSQQLNY-BTDRIEDLSA-N 1 0 653.716 7.527 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CCCC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029335834 562014352 /nfs/dbraw/zinc/01/43/52/562014352.db2.gz LHMWCFQUSQQLNY-NLZDTVHJSA-N 1 0 653.716 7.527 1 0 KKAFRO COc1ccccc1[C@@H]1C(C(=O)OCCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029336792 562014411 /nfs/dbraw/zinc/01/44/11/562014411.db2.gz ZOSLPHMYWVWJOI-XMMPIXPASA-N 1 0 532.493 6.229 1 0 KKAFRO CC1=C(C(=O)OCC[NH+](C)C)[C@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341471 562015340 /nfs/dbraw/zinc/01/53/40/562015340.db2.gz VHKWEWIRNGEUJD-QFIPXVFZSA-N 1 0 506.430 5.969 1 0 KKAFRO C[N@H+](Cc1ccnc2ccccc12)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1 ZINC000029346357 562016378 /nfs/dbraw/zinc/01/63/78/562016378.db2.gz WYCFYGAPQXYEFE-RRPNLBNLSA-N 1 0 518.488 6.890 1 0 KKAFRO FC(F)(F)c1cc(CN2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000029348266 562016662 /nfs/dbraw/zinc/01/66/62/562016662.db2.gz KCHZSHRRZWMRFQ-RRPNLBNLSA-N 1 0 557.582 7.638 1 0 KKAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(S(=O)(=O)c4ccccc4)[C@H]2C3)c1 ZINC000029400866 562019717 /nfs/dbraw/zinc/01/97/17/562019717.db2.gz UWMOBFHBRYCOPF-QKMMQOFESA-N 1 0 586.758 5.188 1 0 KKAFRO NC(=[NH2+])c1cccc(Oc2ccc(Br)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029401801 562019871 /nfs/dbraw/zinc/01/98/71/562019871.db2.gz OYNSZZLBKROPMN-UHFFFAOYSA-N 1 0 565.449 5.092 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029407109 562020897 /nfs/dbraw/zinc/02/08/97/562020897.db2.gz YNTAWPKJBIRESB-UHFFFAOYSA-N 1 0 552.807 7.756 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000029409355 562021365 /nfs/dbraw/zinc/02/13/65/562021365.db2.gz VYKQSRLLIVRENL-UHFFFAOYSA-N 1 0 628.883 6.878 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C4(C(=O)N5C6CCC5CC6)CCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029410292 562021577 /nfs/dbraw/zinc/02/15/77/562021577.db2.gz UZMFNKZHBPHLBG-UHFFFAOYSA-N 1 0 574.813 7.577 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000029412468 562022028 /nfs/dbraw/zinc/02/20/28/562022028.db2.gz KQCIBGUILOITBS-YTTGMZPUSA-N 1 0 546.759 7.233 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000029412366 562022092 /nfs/dbraw/zinc/02/20/92/562022092.db2.gz AMSRQIGFIHJSPY-UHFFFAOYSA-N 1 0 625.214 5.012 1 0 KKAFRO CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1 ZINC000029412709 562022175 /nfs/dbraw/zinc/02/21/75/562022175.db2.gz OFIDCTZVLUSIQH-UHFFFAOYSA-N 1 0 538.780 7.148 1 0 KKAFRO O=C(Nc1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc3ccccc3c1)c2OCC[C@@H]1CCCC[NH2+]1)NC1CC1 ZINC000029414347 562022503 /nfs/dbraw/zinc/02/25/03/562022503.db2.gz HWQNINBYCILOFM-NRFANRHFSA-N 1 0 531.056 6.609 1 0 KKAFRO CCNC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029414439 562022633 /nfs/dbraw/zinc/02/26/33/562022633.db2.gz OYALTDDNSLWUIH-UHFFFAOYSA-N 1 0 560.764 5.728 1 0 KKAFRO O=C(Nc1ccncn1)c1cc2c(cc1Cl)[nH]c(=O)c(-c1ccc(Cl)c(Cl)c1)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000029416605 562023012 /nfs/dbraw/zinc/02/30/12/562023012.db2.gz HWDLAHZSNLDSHD-INIZCTEOSA-N 1 0 572.880 6.521 1 0 KKAFRO Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC000029465035 562024058 /nfs/dbraw/zinc/02/40/58/562024058.db2.gz WXEKNTLHAOLXLP-LJAQVGFWSA-N 1 0 541.655 5.685 1 0 KKAFRO C[C@@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@@H]3CCC(=O)O3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029466079 562024378 /nfs/dbraw/zinc/02/43/78/562024378.db2.gz HFXUYZQVCSUBMO-LIXKGTLCSA-N 1 0 610.639 7.200 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(F)(F)F)CC(F)(F)F)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029465937 562024395 /nfs/dbraw/zinc/02/43/95/562024395.db2.gz OSCQMJZSGJEONT-UHFFFAOYSA-N 1 0 604.639 7.569 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4cccnc4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029467127 562024663 /nfs/dbraw/zinc/02/46/63/562024663.db2.gz JTXQMDDPDFIHBE-NRFANRHFSA-N 1 0 546.071 6.828 1 0 KKAFRO CCN(C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1)C(C)C ZINC000029467942 562024889 /nfs/dbraw/zinc/02/48/89/562024889.db2.gz ATFRLQACYBGIPP-UHFFFAOYSA-N 1 0 602.845 6.849 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC(C)(C)C4)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029467676 562024907 /nfs/dbraw/zinc/02/49/07/562024907.db2.gz CXWOZXQVEUVIRX-UHFFFAOYSA-N 1 0 550.791 7.148 1 0 KKAFRO CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029468109 562024919 /nfs/dbraw/zinc/02/49/19/562024919.db2.gz VGGMFDLXVKGZNT-UHFFFAOYSA-N 1 0 630.899 7.124 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC([C@@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469745 562025360 /nfs/dbraw/zinc/02/53/60/562025360.db2.gz TYZXLZNJKGHJKW-MIGAKDOKSA-N 1 0 610.639 7.057 1 0 KKAFRO CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029470444 562025403 /nfs/dbraw/zinc/02/54/03/562025403.db2.gz OJSLUAPRRBQNFU-UHFFFAOYSA-N 1 0 559.176 7.841 1 0 KKAFRO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[NH2+]CC4CCCCC4)n3c2=O)c1 ZINC000029471006 562025552 /nfs/dbraw/zinc/02/55/52/562025552.db2.gz GFEWDLGYMBDDCC-UHFFFAOYSA-N 1 0 544.715 6.635 1 0 KKAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470949 562025579 /nfs/dbraw/zinc/02/55/79/562025579.db2.gz QWLVQDXAULJUAE-PQFNOMFPSA-N 1 0 708.003 5.437 1 0 KKAFRO CCc1sc(CCc2cc(O[C@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029473648 562025915 /nfs/dbraw/zinc/02/59/15/562025915.db2.gz ZVDPFDLAGLHKAY-GOSISDBHSA-N 1 0 561.148 6.830 1 0 KKAFRO O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029481043 562027405 /nfs/dbraw/zinc/02/74/05/562027405.db2.gz XYAFVDFICPHKGL-UHFFFAOYSA-N 1 0 566.696 6.834 1 0 KKAFRO CC[C@@H]1CCC[C@@H](CCOc2c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c(=O)c2-c2cc(C)cc(C)c2)[NH2+]1 ZINC000029474558 562026216 /nfs/dbraw/zinc/02/62/16/562026216.db2.gz LOMBPLWSHUPNFD-YADHBBJMSA-N 1 0 560.098 6.610 1 0 KKAFRO CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029474277 562026232 /nfs/dbraw/zinc/02/62/32/562026232.db2.gz FOFPUTCEGYWXSQ-UHFFFAOYSA-N 1 0 573.159 6.974 1 0 KKAFRO CC(C)NC(=O)c1ccc(C2(C3CC[NH+](C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)OCCO2)cc1 ZINC000029476632 562026494 /nfs/dbraw/zinc/02/64/94/562026494.db2.gz NRKIPPNRZSUVJT-UHFFFAOYSA-N 1 0 573.709 5.334 1 0 KKAFRO CCc1sc(CCc2cc(N3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029479029 562026879 /nfs/dbraw/zinc/02/68/79/562026879.db2.gz VQCZRRYZXFJVQA-UHFFFAOYSA-N 1 0 558.148 6.253 1 0 KKAFRO CCCN1c2ccccc2C(c2ccc(C)cc2)=N[C@@H](NC(=O)Nc2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1=O ZINC000029484123 562027895 /nfs/dbraw/zinc/02/78/95/562027895.db2.gz ZOTHFGCMZWDGAH-UMSFTDKQSA-N 1 0 592.788 6.192 1 0 KKAFRO CN1CN(c2ccc(F)cc2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029487017 562028494 /nfs/dbraw/zinc/02/84/94/562028494.db2.gz ZMOJZPYLQIUEOJ-UHFFFAOYSA-N 1 0 508.588 5.403 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC1CCCC1)(C(=O)OC1CCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029554163 562031856 /nfs/dbraw/zinc/03/18/56/562031856.db2.gz SLQRINHXENCPDI-CLOONOSVSA-N 1 0 558.071 5.033 1 0 KKAFRO CCC(CC)OC(=O)C1(C(=O)OC(CC)CC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029559295 562032794 /nfs/dbraw/zinc/03/27/94/562032794.db2.gz FVVUSKWURCSTKZ-CLOONOSVSA-N 1 0 562.103 5.525 1 0 KKAFRO CC[NH+](CC)CCCCCCNc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12 ZINC000029563747 562033797 /nfs/dbraw/zinc/03/37/97/562033797.db2.gz PWYPWQGIMCMRQA-UHFFFAOYSA-N 1 0 503.609 7.677 1 0 KKAFRO c1ccc(CC[NH+]2CCC(N(Cc3ccccc3)c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029566407 562034557 /nfs/dbraw/zinc/03/45/57/562034557.db2.gz RXEDATWQBKXUNH-UHFFFAOYSA-N 1 0 500.690 6.798 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 ZINC000029569511 562035300 /nfs/dbraw/zinc/03/53/00/562035300.db2.gz ULQMQENCVAWTGX-YTTGMZPUSA-N 1 0 607.761 6.087 1 0 KKAFRO COc1ccc2nc(NCCCN3CC[NH+](CCCNc4nc5ccc(OC)cc5n5cccc45)CC3)c3cccn3c2c1 ZINC000029571998 562035855 /nfs/dbraw/zinc/03/58/55/562035855.db2.gz JNPDLSUWEDLIQO-UHFFFAOYSA-N 1 0 592.748 5.227 1 0 KKAFRO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000034632481 562039302 /nfs/dbraw/zinc/03/93/02/562039302.db2.gz LCBCWRXFGAQTSR-UHFFFAOYSA-N 1 0 520.652 6.950 1 0 KKAFRO CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCC[NH+]2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755082 562037511 /nfs/dbraw/zinc/03/75/11/562037511.db2.gz CEWVFZWVXADRCT-GOTSBHOMSA-N 1 0 513.788 8.197 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCC1 ZINC000033817767 562037603 /nfs/dbraw/zinc/03/76/03/562037603.db2.gz DJBPAGGSUSAEKT-RPBOFIJWSA-N 1 0 526.706 6.865 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000034038687 562038079 /nfs/dbraw/zinc/03/80/79/562038079.db2.gz RCZXTMTXMHGQDY-GJZGRUSLSA-N 1 0 501.077 5.399 1 0 KKAFRO CC(=O)c1ccc(-c2ccc(C(=O)NCCCC[NH+]3CCC(c4ccc5c(c4O)CCCC5)CC3)cc2)cc1 ZINC000034261207 562038542 /nfs/dbraw/zinc/03/85/42/562038542.db2.gz MMGKEDDUHIHGPU-UHFFFAOYSA-N 1 0 524.705 6.530 1 0 KKAFRO COc1cc(Cn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)ccc1OCC[NH+]1CCCCCC1 ZINC000034251335 562038571 /nfs/dbraw/zinc/03/85/71/562038571.db2.gz DNWWBBQJWGPFNQ-UHFFFAOYSA-N 1 0 500.639 6.340 1 0 KKAFRO O=C(CNC1(c2ccc(-c3ccccc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000034379896 562038798 /nfs/dbraw/zinc/03/87/98/562038798.db2.gz VIWFGXCQKASMCL-UHFFFAOYSA-N 1 0 506.065 6.608 1 0 KKAFRO CCOc1cc([C@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)NCc2cccc(O)c2)ccc1OC(C)C ZINC000034786168 562040570 /nfs/dbraw/zinc/04/05/70/562040570.db2.gz PTSNBKYZXGMEJT-MHZLTWQESA-N 1 0 500.599 5.178 1 0 KKAFRO Cc1ccc(-c2nn(CCCCCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801013 562041088 /nfs/dbraw/zinc/04/10/88/562041088.db2.gz TWBJAMDCEKXUDK-UHFFFAOYSA-N 1 0 529.128 6.798 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccccc3)cn2)cc1 ZINC000034802843 562042242 /nfs/dbraw/zinc/04/22/42/562042242.db2.gz ZIFKOHLXONTVQI-UHFFFAOYSA-N 1 0 513.770 8.026 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc4c(c3)OCO4)cn2)cc1 ZINC000034802906 562042244 /nfs/dbraw/zinc/04/22/44/562042244.db2.gz UHCQTYFWANNTIK-UHFFFAOYSA-N 1 0 557.779 7.755 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[N@H+](CCO)Cc2ccccc2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802997 562042372 /nfs/dbraw/zinc/04/23/72/562042372.db2.gz XWOBQOBLEKAXFV-UHFFFAOYSA-N 1 0 578.753 6.952 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000034804013 562042803 /nfs/dbraw/zinc/04/28/03/562042803.db2.gz ZFODODBXWGBNAV-MHZLTWQESA-N 1 0 637.659 5.258 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000034804138 562042947 /nfs/dbraw/zinc/04/29/47/562042947.db2.gz GMSUBXAFZHGFIG-MHZLTWQESA-N 1 0 563.586 6.551 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C1CC1 ZINC000034804282 562043050 /nfs/dbraw/zinc/04/30/50/562043050.db2.gz AUGHKPPZWXWECG-XMMPIXPASA-N 1 0 536.560 6.817 1 0 KKAFRO COC(=O)N[C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804344 562043223 /nfs/dbraw/zinc/04/32/23/562043223.db2.gz MAVBWNPZMIJLIT-HSZRJFAPSA-N 1 0 569.546 5.516 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(OC(F)(F)F)cc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000035014877 562044431 /nfs/dbraw/zinc/04/44/31/562044431.db2.gz BWYUHMVVOAUGEM-UHFFFAOYSA-N 1 0 510.488 5.586 1 0 KKAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCn3ccc(-c4ccccc4)cc3=O)CC2)cc(C(F)(F)F)n1 ZINC000036089313 562046944 /nfs/dbraw/zinc/04/69/44/562046944.db2.gz FADJIPFJANIADX-UHFFFAOYSA-N 1 0 513.608 5.224 1 0 KKAFRO CC1CCC([NH2+][C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036151821 562048230 /nfs/dbraw/zinc/04/82/30/562048230.db2.gz ZMJZGADTCFELGA-LPCGZPDWSA-N 1 0 556.673 5.881 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160536 562048534 /nfs/dbraw/zinc/04/85/34/562048534.db2.gz VTGXHIKOJDKECN-WEZIJMHWSA-N 1 0 610.843 7.833 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160528 562048552 /nfs/dbraw/zinc/04/85/52/562048552.db2.gz JEOIMYUIHSWTEE-NDKRRWIDSA-N 1 0 613.818 7.581 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000036161421 562048662 /nfs/dbraw/zinc/04/86/62/562048662.db2.gz FSQBVVLOKYRQEJ-LBNVMWSVSA-N 1 0 548.753 5.250 1 0 KKAFRO CC(C)C[NH2+]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000036161507 562048741 /nfs/dbraw/zinc/04/87/41/562048741.db2.gz HMORLRVJUVYVEX-RPLLCQBOSA-N 1 0 565.702 5.578 1 0 KKAFRO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CC[NH+](CCC(C)C)CC3)cn2)c(F)c1 ZINC000036161600 562048781 /nfs/dbraw/zinc/04/87/81/562048781.db2.gz LZRSRWJAERMFGT-UHFFFAOYSA-N 1 0 536.623 5.229 1 0 KKAFRO COc1ccc(N([C@H](C)c2ccccc2OCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036175717 562048966 /nfs/dbraw/zinc/04/89/66/562048966.db2.gz KMRSEMCAAVDGSK-JOCHJYFZSA-N 1 0 529.102 6.170 1 0 KKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175813 562048972 /nfs/dbraw/zinc/04/89/72/562048972.db2.gz ICWJYZMPWMDIDT-OAQYLSRUSA-N 1 0 533.521 6.815 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175857 562049107 /nfs/dbraw/zinc/04/91/07/562049107.db2.gz MHGZBVHCBAKBRE-SANMLTNESA-N 1 0 603.184 7.392 1 0 KKAFRO C[NH2+]CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035570539 562045201 /nfs/dbraw/zinc/04/52/01/562045201.db2.gz CBOUOGWEDQDHDX-HIHGJNKXSA-N 1 0 513.807 6.912 1 0 KKAFRO O=C(CCc1ccccc1)Nc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1ccc2ccccc2c1 ZINC000035881221 562045670 /nfs/dbraw/zinc/04/56/70/562045670.db2.gz JLXHGFWAMLYKBM-UHFFFAOYSA-N 1 0 507.634 6.029 1 0 KKAFRO c1ccc(COc2cc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3cc2OCc2ccccc2)cc1 ZINC000036241937 562052150 /nfs/dbraw/zinc/05/21/50/562052150.db2.gz CKJNZPVDLBJAOO-UHFFFAOYSA-N 1 0 612.778 7.719 1 0 KKAFRO CC[NH+](CC)C[C@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284993 562053630 /nfs/dbraw/zinc/05/36/30/562053630.db2.gz AYFBIKAUTDMRMP-VDCPHJTRSA-N 1 0 622.298 5.619 1 0 KKAFRO CC[C@@H](C)[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285493 562054247 /nfs/dbraw/zinc/05/42/47/562054247.db2.gz RETXHZDMGJHDNV-CLYVBNDRSA-N 1 0 587.514 5.846 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000036285765 562054529 /nfs/dbraw/zinc/05/45/29/562054529.db2.gz CKYBCMOIKHZIMK-HXOBKFHXSA-N 1 0 530.462 6.586 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000036310770 562054975 /nfs/dbraw/zinc/05/49/75/562054975.db2.gz POQAFSKCCQVOAP-DFHRPNOPSA-N 1 0 569.681 5.215 1 0 KKAFRO CN(C[C@H](CC[N@@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322413 562055231 /nfs/dbraw/zinc/05/52/31/562055231.db2.gz BCMOURGLNMDTBL-DQEYMECFSA-N 1 0 565.545 7.022 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+]2CC[C@@H](C(=O)N3CCOCC3)[C@H](C)C2)c1 ZINC000036322678 562055264 /nfs/dbraw/zinc/05/52/64/562055264.db2.gz ATYOFXVORANGGC-RFBOAJLRSA-N 1 0 630.899 6.304 1 0 KKAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cc2ncn([C@H](C)c3ccccc3)c2c(Br)c1 ZINC000036330289 562055538 /nfs/dbraw/zinc/05/55/38/562055538.db2.gz DQNOTYWXDWEBPE-GFCCVEGCSA-N 1 0 535.514 5.308 1 0 KKAFRO CN(Cc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CC[NH+](C)CC4)cc2-3)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036338854 562057469 /nfs/dbraw/zinc/05/74/69/562057469.db2.gz QDCNUYNTRDKBDB-UHFFFAOYSA-N 1 0 596.679 6.019 1 0 KKAFRO CC(C)C(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351559 562058701 /nfs/dbraw/zinc/05/87/01/562058701.db2.gz JXZADBNWQLAOLD-IWGZPIKUSA-N 1 0 570.153 5.665 1 0 KKAFRO CC(C)C(=O)Nc1ccc2c(c1)C[C@@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351893 562059301 /nfs/dbraw/zinc/05/93/01/562059301.db2.gz KROXLQNVMVQKIP-VWLOTQADSA-N 1 0 544.115 5.103 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1cccc2ccccc21 ZINC000036476116 562060944 /nfs/dbraw/zinc/06/09/44/562060944.db2.gz ASMDMTBAOYMOCC-IPHXSNPTSA-N 1 0 511.902 6.740 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NC3CC[NH+](C)CC3)ncc2c1 ZINC000036758590 562061435 /nfs/dbraw/zinc/06/14/35/562061435.db2.gz GSUDSWBWGLGBGN-UHFFFAOYSA-N 1 0 533.598 6.691 1 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccc(F)cc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147759 562065575 /nfs/dbraw/zinc/06/55/75/562065575.db2.gz YAOCNPQUAUBKIF-YRBODBNVSA-N 1 0 554.750 6.903 1 0 KKAFRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149719 562066114 /nfs/dbraw/zinc/06/61/14/562066114.db2.gz AADSFGMHGXEQDC-QFIPXVFZSA-N 1 0 593.130 5.286 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150635 562066324 /nfs/dbraw/zinc/06/63/24/562066324.db2.gz RGFNFGSQVBRRIT-LOAGWBBBSA-N 1 0 564.767 6.058 1 0 KKAFRO O=C([O-])[C@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154928 562067945 /nfs/dbraw/zinc/06/79/45/562067945.db2.gz UUQGJUFZXHHWRQ-JBOQNHBVSA-N 1 0 543.777 6.272 1 0 KKAFRO CN(C(=O)COc1cccc(Cl)c1)C1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000038228560 562070642 /nfs/dbraw/zinc/07/06/42/562070642.db2.gz NRFMYVIQTLQHOP-UHFFFAOYSA-N 1 0 505.968 5.651 1 0 KKAFRO COc1cccc(CCc2ccccc2OCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000040393044 562073919 /nfs/dbraw/zinc/07/39/19/562073919.db2.gz JGSPPIYFQDHZNR-UHFFFAOYSA-N 1 0 512.616 6.480 1 0 in-vitro KKAFRO CN(C)C(=O)c1ccc(CC2CC[NH+](CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038156563 562068435 /nfs/dbraw/zinc/06/84/35/562068435.db2.gz SEVIDRCPHNOAJR-UHFFFAOYSA-N 1 0 637.674 5.045 1 0 KKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+][C@@H](C)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040407538 562075032 /nfs/dbraw/zinc/07/50/32/562075032.db2.gz JWYGHODMDMKPPK-KMRXNPHXSA-N 1 0 514.591 7.751 1 0 KKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040406601 562075059 /nfs/dbraw/zinc/07/50/59/562075059.db2.gz QTBXDXGNGINERX-UHFFFAOYSA-N 1 0 515.593 5.191 1 0 KKAFRO C=CC(=O)Nc1cc2c(cc1SCCC[NH+](CC)CC)ncnc2Cc1cccc(Br)c1 ZINC000040422124 562075887 /nfs/dbraw/zinc/07/58/87/562075887.db2.gz ANTGDNVDDIVKOM-UHFFFAOYSA-N 1 0 513.505 5.932 1 0 KKAFRO CC[N@H+](C)Cc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040421987 562075901 /nfs/dbraw/zinc/07/59/01/562075901.db2.gz MCDVLCPOOSENDN-UHFFFAOYSA-N 1 0 518.876 7.299 1 0 KKAFRO C[NH+](C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc32)C1 ZINC000040423610 562076135 /nfs/dbraw/zinc/07/61/35/562076135.db2.gz YXUXJARSJNHIBD-GOSISDBHSA-N 1 0 511.461 5.256 1 0 KKAFRO FC(F)(F)c1ccc2c(N[C@@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)cc[nH+]c2c1 ZINC000040425088 562076601 /nfs/dbraw/zinc/07/66/01/562076601.db2.gz JZJOVKWLPXFEDD-MHZLTWQESA-N 1 0 511.975 6.941 1 0 KKAFRO C[C@H](Oc1cc(-n2cnc3ccc(OCC4CC[NH+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000040431191 562076881 /nfs/dbraw/zinc/07/68/81/562076881.db2.gz FCJBLTLQBCHRIE-KRWDZBQOSA-N 1 0 525.074 5.700 1 0 KKAFRO COC(=O)c1ccc(OCCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505947 562077586 /nfs/dbraw/zinc/07/75/86/562077586.db2.gz ONGLXADHGUOCPC-UHFFFAOYSA-N 1 0 509.593 5.559 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000040505331 562077652 /nfs/dbraw/zinc/07/76/52/562077652.db2.gz JQQZQZXONHMQBJ-UHFFFAOYSA-N 1 0 509.593 5.593 1 0 KKAFRO COc1cc(-n2cnc3cc(-c4ccc(Cl)c(Cl)c4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040828210 562080065 /nfs/dbraw/zinc/08/00/65/562080065.db2.gz CZDLKMLCDRFFRS-UHFFFAOYSA-N 1 0 516.450 5.904 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2ccc(F)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878175 562082456 /nfs/dbraw/zinc/08/24/56/562082456.db2.gz ITWYTIMGSRUMGF-AREMUKBSSA-N 1 0 505.472 5.253 1 0 KKAFRO COC(=O)[C@](CCC[N@H+](C)CCCc1nc2cc(OC)ccc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082670 /nfs/dbraw/zinc/08/26/70/562082670.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 1 0 530.507 5.746 1 0 KKAFRO COC(=O)[C@@](CCC[NH+]1CCN(Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895178 562083010 /nfs/dbraw/zinc/08/30/10/562083010.db2.gz GJNISUGDHSTIAF-HHHXNRCGSA-N 1 0 501.509 5.422 1 0 KKAFRO Cc1ncsc1C[NH2+][C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000040915170 562083907 /nfs/dbraw/zinc/08/39/07/562083907.db2.gz CVZLQNNEWOTLBK-DEOSSOPVSA-N 1 0 521.608 6.955 1 0 KKAFRO COC(=O)C1CC[NH+](CCOc2ccc([C@]3(C)c4ccc(O)cc4CCN3c3ccc(Cl)cc3)cc2)CC1 ZINC000040916329 562083988 /nfs/dbraw/zinc/08/39/88/562083988.db2.gz XIXCVRPUCLFZKK-WJOKGBTCSA-N 1 0 535.084 5.636 1 0 KKAFRO CCC[NH+]1CCC(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)CC1 ZINC000040918598 562084403 /nfs/dbraw/zinc/08/44/03/562084403.db2.gz UKKOZAHWQFYYRW-UHFFFAOYSA-N 1 0 517.609 5.281 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCCCC(C)=O)[NH2+][C@@H]2C)ccc1O ZINC000084153998 560046169 /nfs/dbraw/zinc/04/61/69/560046169.db2.gz ZIMSZIZHJOVZFZ-MLZZLNHRSA-N 1 0 501.708 6.737 1 0 biogenic,in-vitro KKAFRO CCC[C@H]1[C@]23C=CCC[C@]2(C(C(=O)CCC[C@@H]2CCC[C@@H]4C=CC=C[C@H]42)OC3=O)[C@]12OC(=O)c1c2cccc1CCC[NH3+] ZINC000103572956 560051990 /nfs/dbraw/zinc/05/19/90/560051990.db2.gz UEKHIWISWCOXLJ-HUIOGYPBSA-N 1 0 583.769 7.352 1 0 biogenic,in-vitro KKAFRO CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596819 560063321 /nfs/dbraw/zinc/06/33/21/560063321.db2.gz ZYZSUXPHIUCMEP-YHHKDRGWSA-N 1 0 575.787 5.706 1 0 biogenic,in-vitro KKAFRO CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O)CCC(C)C ZINC000085571547 560069752 /nfs/dbraw/zinc/06/97/52/560069752.db2.gz FLWFTYOZKWCBFU-YIPCJCCESA-N 1 0 519.726 6.769 1 0 biogenic,in-vitro KKAFRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@H]3C[C@H]4[C@]5(CCC[C@@]46CC[C@H](O)C[C@@H]6[C@@H](O)C5)[C@@H]3C[C@H]3C[C@@H]4C=CO[C@@]2(C4)[C@@H]31 ZINC000085542913 560071238 /nfs/dbraw/zinc/07/12/38/560071238.db2.gz DGIJUXYBMSQMNC-VGTMPQFUSA-N 1 0 507.759 5.380 1 0 biogenic,in-vitro KKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)C[C@@H]5CCCC56CCCC6)[N@H+]4C3)[C@H]2[C@@H]1C ZINC000085532519 560072726 /nfs/dbraw/zinc/07/27/26/560072726.db2.gz HBXXXQLHHWPKPH-VIMACEGASA-N 1 0 521.698 5.746 1 0 biogenic,in-vitro KKAFRO CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@@H+]21)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532359 560072963 /nfs/dbraw/zinc/07/29/63/560072963.db2.gz YVAIVCDCXWLHGJ-ONSYUJLBSA-N 1 0 575.746 5.412 1 0 biogenic,in-vitro KKAFRO CCCC=C1OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1C=C4 ZINC000085531950 560073064 /nfs/dbraw/zinc/07/30/64/560073064.db2.gz HBWMONCTEKJPGD-UWGGHDBESA-N 1 0 553.743 7.076 1 0 biogenic,in-vitro KKAFRO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000042807525 560085768 /nfs/dbraw/zinc/08/57/68/560085768.db2.gz FKHCVUFZOFEROS-MUUNZHRXSA-N 1 0 592.692 6.676 1 0 biogenic,in-vitro KKAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043060804 562645161 /nfs/dbraw/zinc/64/51/61/562645161.db2.gz IFMHGMRWRFDDFU-BQYQJAHWSA-N 1 0 576.627 5.360 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064023 562645325 /nfs/dbraw/zinc/64/53/25/562645325.db2.gz BEXVBWGCOSRYDF-SSEXGKCCSA-N 1 0 550.600 6.538 1 0 KKAFRO CN1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@@H](c2ccccc2)C1 ZINC000043065909 562645341 /nfs/dbraw/zinc/64/53/41/562645341.db2.gz HLFQPMNDRXUKAD-HHHXNRCGSA-N 1 0 525.619 5.159 1 0 KKAFRO O=C(N[C@H](c1ncc[nH]1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069675 562645517 /nfs/dbraw/zinc/64/55/17/562645517.db2.gz PCLLBFUYVTXKME-VWLOTQADSA-N 1 0 522.575 5.272 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1c[nH]cn1)c1ccccc1 ZINC000043079432 562645770 /nfs/dbraw/zinc/64/57/70/562645770.db2.gz ZMTJXLBSJWMAHF-MUUNZHRXSA-N 1 0 521.587 5.727 1 0 KKAFRO O=C(N[C@@H](Cc1cnccn1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043080770 562645859 /nfs/dbraw/zinc/64/58/59/562645859.db2.gz SCNLJQQVOVIBKB-NDEPHWFRSA-N 1 0 548.613 5.534 1 0 KKAFRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079728 562645875 /nfs/dbraw/zinc/64/58/75/562645875.db2.gz KYIFZXJUWBRQGE-SFTDATJTSA-N 1 0 550.497 5.375 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3cccc(Cl)c3)CC2)c1 ZINC000043103918 562646009 /nfs/dbraw/zinc/64/60/09/562646009.db2.gz AKSZOVIZULWYMI-UHFFFAOYSA-N 1 0 502.062 6.319 1 0 KKAFRO Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCC[NH+]1CCCC1 ZINC000043130446 562646288 /nfs/dbraw/zinc/64/62/88/562646288.db2.gz BSQFNDXZHSFKMX-UHFFFAOYSA-N 1 0 520.378 5.246 1 0 KKAFRO CCN1CC[NH+](CCCn2cc(-c3ccc4c(c3)ncn4-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cn2)CC1 ZINC000043152535 562646396 /nfs/dbraw/zinc/64/63/96/562646396.db2.gz XWUCTSMJFVUKTR-JOCHJYFZSA-N 1 0 618.207 5.870 1 0 KKAFRO CCCN(C(C)=O)C1CC[NH+](CC[C@@](C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000043203083 562646949 /nfs/dbraw/zinc/64/69/49/562646949.db2.gz HGOGUZYKZRGMAO-LMSSTIIKSA-N 1 0 566.545 5.353 1 0 KKAFRO CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1cc(Br)cs1 ZINC000043205439 562646990 /nfs/dbraw/zinc/64/69/90/562646990.db2.gz RRISCGLVYBLGLP-SANMLTNESA-N 1 0 620.654 5.931 1 0 KKAFRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000044053325 562651958 /nfs/dbraw/zinc/65/19/58/562651958.db2.gz ZNMWOXHKUMOSNW-HKBQPEDESA-N 1 0 621.226 5.176 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000044281444 562653090 /nfs/dbraw/zinc/65/30/90/562653090.db2.gz YMPHEXNZJFTXKP-UHFFFAOYSA-N 1 0 616.718 6.366 1 0 KKAFRO C[NH+](C)[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 ZINC000044307798 562654073 /nfs/dbraw/zinc/65/40/73/562654073.db2.gz DCJRBHXOVLZTNQ-XCOOOMCFSA-N 1 0 580.079 5.261 1 0 KKAFRO O=C1C[C@](CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000044350932 562654413 /nfs/dbraw/zinc/65/44/13/562654413.db2.gz RVQFDCYLUPNTJZ-YTTGMZPUSA-N 1 0 591.583 5.872 1 0 KKAFRO CCCC[C@@H]1C(=O)N(Cc2ccc(F)cc2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044351315 562654582 /nfs/dbraw/zinc/65/45/82/562654582.db2.gz FUVFXKANLIQTMS-MUUNZHRXSA-N 1 0 563.762 5.548 1 0 KKAFRO c1cn(-c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)cn1 ZINC000044352024 562654958 /nfs/dbraw/zinc/65/49/58/562654958.db2.gz YSEFCBBQCYGIKD-UHFFFAOYSA-N 1 0 590.695 6.104 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(C[NH2+]C3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044352220 562655072 /nfs/dbraw/zinc/65/50/72/562655072.db2.gz UFCXYTPWHJOWBM-UHFFFAOYSA-N 1 0 545.531 7.895 1 0 KKAFRO CCCCN(CCCC)C(=O)c1nn(-c2cccc(C)c2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1Cl ZINC000044359888 562655542 /nfs/dbraw/zinc/65/55/42/562655542.db2.gz CCUGQOJXLGDWOJ-VWLOTQADSA-N 1 0 550.147 5.711 1 0 KKAFRO O=C1N(CC[NH+]2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044360468 562655580 /nfs/dbraw/zinc/65/55/80/562655580.db2.gz NJDAIEKCJUPYPX-UHFFFAOYSA-N 1 0 563.573 6.320 1 0 KKAFRO CCCCC[NH+](CCCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044360427 562655603 /nfs/dbraw/zinc/65/56/03/562655603.db2.gz WHLXWLMPOJUMLS-SAIUNTKASA-N 1 0 604.707 8.015 1 0 KKAFRO CSCCC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044387311 562656074 /nfs/dbraw/zinc/65/60/74/562656074.db2.gz NQMSNOOJBWWGON-XNMGPUDCSA-N 1 0 552.612 5.676 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000044406267 562656801 /nfs/dbraw/zinc/65/68/01/562656801.db2.gz CHACAHBBLAVNNH-LJAQVGFWSA-N 1 0 577.560 5.140 1 0 KKAFRO CN(CC[NH+](C)C)Cc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000045167000 562657971 /nfs/dbraw/zinc/65/79/71/562657971.db2.gz HYZLXSJDCCGHQC-UHFFFAOYSA-N 1 0 509.679 6.888 1 0 KKAFRO O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(cccc3OC[C@H]3CCCC[NH2+]3)c2-c2ccncc2)c1 ZINC000045166877 562657976 /nfs/dbraw/zinc/65/79/76/562657976.db2.gz IQZDLZLUHYHKBE-AREMUKBSSA-N 1 0 518.621 6.228 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000045167131 562658004 /nfs/dbraw/zinc/65/80/04/562658004.db2.gz HWOCPLUABNVISS-PKNBQFBNSA-N 1 0 501.458 5.273 1 0 KKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186611 562658246 /nfs/dbraw/zinc/65/82/46/562658246.db2.gz LDCIPMKXLAJYAT-HXUWFJFHSA-N 1 0 500.630 6.983 1 0 KKAFRO O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045187670 562658280 /nfs/dbraw/zinc/65/82/80/562658280.db2.gz MOIKFOFBLRHJTR-NTCAYCPXSA-N 1 0 517.717 7.356 1 0 KKAFRO O=C(C1CCCC1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045189851 562658441 /nfs/dbraw/zinc/65/84/41/562658441.db2.gz CAQDTTHBHLNZHJ-LJAQVGFWSA-N 1 0 515.525 6.507 1 0 KKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[N@H+](C)CCN(C)c1ccccc1 ZINC000045189901 562658474 /nfs/dbraw/zinc/65/84/74/562658474.db2.gz BGFYKKYIRZOLOA-IXUMQIDOSA-N 1 0 515.485 5.593 1 0 KKAFRO COc1cc2c(cc1N1CC[NH+](C)CC1)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1Cl)CC2 ZINC000045190779 562658532 /nfs/dbraw/zinc/65/85/32/562658532.db2.gz RGFUAKBICWXGFB-UHFFFAOYSA-N 1 0 512.441 5.410 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045191848 562658576 /nfs/dbraw/zinc/65/85/76/562658576.db2.gz KFTIZENUPDYMNE-GRSLCELMSA-N 1 0 524.536 7.290 1 0 KKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)[nH+]1 ZINC000045192558 562658615 /nfs/dbraw/zinc/65/86/15/562658615.db2.gz ITVWQKHHLRNAGK-SANMLTNESA-N 1 0 501.581 5.057 1 0 KKAFRO COCC[NH2+]Cc1cccc(-c2cc3nccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000045192269 562658622 /nfs/dbraw/zinc/65/86/22/562658622.db2.gz MVQOGXUSDARQSD-UHFFFAOYSA-N 1 0 510.037 7.827 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000045192995 562658686 /nfs/dbraw/zinc/65/86/86/562658686.db2.gz JIQQUFUMHXHGCG-UHFFFAOYSA-N 1 0 518.101 6.544 1 0 KKAFRO O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CC[N@H+](C1CCC1)CC2 ZINC000045194260 562658809 /nfs/dbraw/zinc/65/88/09/562658809.db2.gz QUZADQLTRKINEQ-UHFFFAOYSA-N 1 0 529.556 5.279 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1CCOc1ccc2c(c1)N(C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)CC2 ZINC000045194415 562658836 /nfs/dbraw/zinc/65/88/36/562658836.db2.gz JEKVQPPGDATBBV-LJQANCHMSA-N 1 0 512.370 5.926 1 0 KKAFRO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3c(cccc3C[NH+]3CCN(C)CC3)[nH]2)cs1 ZINC000045194977 562658840 /nfs/dbraw/zinc/65/88/40/562658840.db2.gz NYVYKJDPUZHNKL-UHFFFAOYSA-N 1 0 510.107 5.713 1 0 KKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045195204 562658848 /nfs/dbraw/zinc/65/88/48/562658848.db2.gz LVVMNOOTAMVYDG-UHFFFAOYSA-N 1 0 522.693 7.520 1 0 KKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1C ZINC000045201152 562658976 /nfs/dbraw/zinc/65/89/76/562658976.db2.gz ZVUORYVCOSJSRA-UHFFFAOYSA-N 1 0 503.690 6.931 1 0 KKAFRO S=C(NCCc1ccc(Cl)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201864 562659084 /nfs/dbraw/zinc/65/90/84/562659084.db2.gz VBZSPLSAKWCWAI-UHFFFAOYSA-N 1 0 509.163 6.266 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000045202480 562659179 /nfs/dbraw/zinc/65/91/79/562659179.db2.gz WFNFMOWNXHUUAF-ZTVSIKPCSA-N 1 0 506.449 5.783 1 0 KKAFRO Cc1c2[nH]c(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2cc(Br)c1C ZINC000045226869 562659348 /nfs/dbraw/zinc/65/93/48/562659348.db2.gz SDIVBEVDGVYVJS-UHFFFAOYSA-N 1 0 517.471 6.004 1 0 KKAFRO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)s1 ZINC000045229139 562659593 /nfs/dbraw/zinc/65/95/93/562659593.db2.gz QCDHELTYBKAFHK-UHFFFAOYSA-N 1 0 504.677 5.159 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC1)O2 ZINC000045229109 562659595 /nfs/dbraw/zinc/65/95/95/562659595.db2.gz SFEGWRQTNBLOCS-UUWRZZSWSA-N 1 0 543.752 6.391 1 0 KKAFRO COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cn3)CC2)ccc2c1CCCC2 ZINC000045231342 562659672 /nfs/dbraw/zinc/65/96/72/562659672.db2.gz XYXZNSQOPXMSAN-UHFFFAOYSA-N 1 0 532.128 6.679 1 0 KKAFRO COc1cc2[nH+]ccc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000045286738 562660195 /nfs/dbraw/zinc/66/01/95/562660195.db2.gz CUMBFVXWDJDNHR-UHFFFAOYSA-N 1 0 501.518 5.609 1 0 KKAFRO O=C1O[C@](c2ccccc2)(c2ccccn2)CN1C1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302964 562660711 /nfs/dbraw/zinc/66/07/11/562660711.db2.gz VNQUMICVOTUFIM-SSEXGKCCSA-N 1 0 513.041 5.886 1 0 KKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045303012 562660728 /nfs/dbraw/zinc/66/07/28/562660728.db2.gz OIFBUELYPUPUPV-UHFFFAOYSA-N 1 0 512.437 5.682 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000045303229 562660788 /nfs/dbraw/zinc/66/07/88/562660788.db2.gz ZSNSAYFVNXTFRN-PKNBQFBNSA-N 1 0 504.461 7.506 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045323097 562661084 /nfs/dbraw/zinc/66/10/84/562661084.db2.gz FTLGKSKBYORBFI-XNBDYFIGSA-N 1 0 512.481 5.577 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000045334503 562661251 /nfs/dbraw/zinc/66/12/51/562661251.db2.gz CUCKSUFPXYIBLI-XDQZKXAQSA-N 1 0 524.536 7.386 1 0 KKAFRO CSc1ccc2c(c1)[C@H](OCC[NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)Cc1ccccc1S2 ZINC000045338280 562661493 /nfs/dbraw/zinc/66/14/93/562661493.db2.gz WDOGWXUNKBXJDV-RUZDIDTESA-N 1 0 512.140 6.811 1 0 KKAFRO CC(C)[N@H+](C)[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045340273 562661588 /nfs/dbraw/zinc/66/15/88/562661588.db2.gz INOOWBQEHMZJJL-XDHUDOTRSA-N 1 0 518.054 5.117 1 0 KKAFRO C[NH+](C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCCC[NH+](C)C)cc2C3=O)cc1 ZINC000045365935 562662032 /nfs/dbraw/zinc/66/20/32/562662032.db2.gz JUGXFGLHYQAENG-UHFFFAOYSA-N 1 0 527.640 5.913 1 0 KKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662226 /nfs/dbraw/zinc/66/22/26/562662226.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N 1 0 516.856 6.931 1 0 KKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)C[NH+]1CCCC1 ZINC000045495848 562662645 /nfs/dbraw/zinc/66/26/45/562662645.db2.gz XCWSAVXACRBMPF-JTHBVZDNSA-N 1 0 512.663 5.622 1 0 KKAFRO CO[C@@H](CC(=O)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)CS(=O)(=O)c1ccc2ccccc2c1 ZINC000045497815 562662799 /nfs/dbraw/zinc/66/27/99/562662799.db2.gz ULBOCIQTIXJDLB-BHBYDHKZSA-N 1 0 534.722 5.198 1 0 KKAFRO CC[NH2+]C(C)(C)CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000048307298 562662887 /nfs/dbraw/zinc/66/28/87/562662887.db2.gz ROBTZVYBAGHLRR-UHFFFAOYSA-N 1 0 666.785 7.266 1 0 KKAFRO COC(=O)CN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000048307330 562662971 /nfs/dbraw/zinc/66/29/71/562662971.db2.gz BEUWAUDFSRTHJQ-UKTHLTGXSA-N 1 0 582.572 6.928 1 0 KKAFRO Cn1cc(Cc2cn(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C3CC[NH+](C)CC3)c(SCc3cccc(F)c3F)nc2=O)cn1 ZINC000048307388 562663048 /nfs/dbraw/zinc/66/30/48/562663048.db2.gz LAEDPOCILZZEDW-UHFFFAOYSA-N 1 0 736.811 6.947 1 0 KKAFRO CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998250 562663182 /nfs/dbraw/zinc/66/31/82/562663182.db2.gz BBKNZDXWDHCIOQ-HHHXNRCGSA-N 1 0 539.761 5.428 1 0 KKAFRO CCCC[C@H]1CN(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049015655 562663260 /nfs/dbraw/zinc/66/32/60/562663260.db2.gz TUOGNBAQCBUIHK-NDEPHWFRSA-N 1 0 537.789 6.582 1 0 KKAFRO CCCC[C@@H]1CN(CC2CCCCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049015651 562663264 /nfs/dbraw/zinc/66/32/64/562663264.db2.gz TUOGNBAQCBUIHK-MUUNZHRXSA-N 1 0 537.789 6.582 1 0 KKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2ccc(NC(C)=O)s2)CC3)cc1 ZINC000049019484 562663336 /nfs/dbraw/zinc/66/33/36/562663336.db2.gz UOAUSRFWBALLMN-UHFFFAOYSA-N 1 0 511.713 5.451 1 0 KKAFRO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[N@@H+]4C)cc2)ccc1F ZINC000049032882 562663420 /nfs/dbraw/zinc/66/34/20/562663420.db2.gz SRWHVBZLJOECLF-ZEQRLZLVSA-N 1 0 506.585 5.166 1 0 KKAFRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c(O)c4)c(-c4ccncc4)nn32)cc1 ZINC000049033754 562663439 /nfs/dbraw/zinc/66/34/39/562663439.db2.gz FBJYRNGBDFBGRM-ZEQRLZLVSA-N 1 0 506.585 5.253 1 0 KKAFRO CN1c2ccc(OC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000049036989 562663602 /nfs/dbraw/zinc/66/36/02/562663602.db2.gz LUDGLDHLVCUWSA-WEZIJMHWSA-N 1 0 519.645 7.072 1 0 KKAFRO Oc1ccc2c(c1)O[C@H](c1cccc(OCC[NH+]3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21 ZINC000049051701 562663750 /nfs/dbraw/zinc/66/37/50/562663750.db2.gz IYLBPELTTFJGJQ-GDLZYMKVSA-N 1 0 503.620 5.352 1 0 KKAFRO O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054478 562663899 /nfs/dbraw/zinc/66/38/99/562663899.db2.gz VKEKQOWZBFVSMP-POURPWNDSA-N 1 0 520.595 6.148 1 0 KKAFRO CSCCCC(=O)SCC[C@@H](CCCCC(=O)OCC[NH+](C)C)SC(=O)CCCSC ZINC000049071045 562664175 /nfs/dbraw/zinc/66/41/75/562664175.db2.gz NEDNKFUXJWYOAB-LJQANCHMSA-N 1 0 511.841 5.216 1 0 KKAFRO CC(C)([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000049113188 562664638 /nfs/dbraw/zinc/66/46/38/562664638.db2.gz WBUKTLQDMQDLJA-UHFFFAOYSA-N 1 0 502.640 5.242 1 0 KKAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(cccc2-c2ccccc2)s1)C1CCCCC1 ZINC000049114192 562664708 /nfs/dbraw/zinc/66/47/08/562664708.db2.gz ZMBDQSBUBMMIRB-QXWFJRNPSA-N 1 0 504.700 5.300 1 0 in-vitro KKAFRO CCCC[C@@H]1N(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049114612 562664713 /nfs/dbraw/zinc/66/47/13/562664713.db2.gz GSGHHANFVYYMSM-MHZLTWQESA-N 1 0 525.734 5.180 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4cc(C(F)(F)F)ccc43)CC2)CC1 ZINC000049604918 562665056 /nfs/dbraw/zinc/66/50/56/562665056.db2.gz JSDVWZOEBOZUSH-QHHAFSJGSA-N 1 0 564.479 7.625 1 0 KKAFRO Cn1c2ccccc2nc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604948 562665110 /nfs/dbraw/zinc/66/51/10/562665110.db2.gz RMVZOBKRJVQYMT-QINJCTLZSA-N 1 0 551.562 6.979 1 0 KKAFRO COc1ccc2c(c1C1CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC1)CCCC2 ZINC000049604959 562665144 /nfs/dbraw/zinc/66/51/44/562665144.db2.gz LZWVYUJMYCEOLZ-UHFFFAOYSA-N 1 0 574.165 6.869 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000049604998 562665172 /nfs/dbraw/zinc/66/51/72/562665172.db2.gz MIPHERPUAFQKEK-FNORWQNLSA-N 1 0 593.404 6.043 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000049604999 562665199 /nfs/dbraw/zinc/66/51/99/562665199.db2.gz MWLKHNXRRGLOHK-PKNBQFBNSA-N 1 0 607.047 7.693 1 0 KKAFRO O=C(Cc1cccc(OCCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1)NCc1ccco1 ZINC000049605101 562665361 /nfs/dbraw/zinc/66/53/61/562665361.db2.gz RBFMRFYPOLGLOE-UHFFFAOYSA-N 1 0 661.164 8.914 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1/C=C/c1cccc(F)c1F ZINC000049605113 562665370 /nfs/dbraw/zinc/66/53/70/562665370.db2.gz JODPEKHHRGHVLA-OBGWFSINSA-N 1 0 718.771 7.073 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2c(cc(C(F)(F)F)cc2Cl)[nH]1 ZINC000049605127 562665410 /nfs/dbraw/zinc/66/54/10/562665410.db2.gz MVIZVFMASJOECI-UHFFFAOYSA-N 1 0 542.989 6.305 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2C[C@@H]([NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC[C@H]2C1 ZINC000049605158 562665431 /nfs/dbraw/zinc/66/54/31/562665431.db2.gz QBRFRPNTDXAEOT-RJBRJTKWSA-N 1 0 536.547 7.385 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049605191 562665472 /nfs/dbraw/zinc/66/54/72/562665472.db2.gz QPNNRAMXKSXJRH-WUXMJOGZSA-N 1 0 569.480 6.134 1 0 KKAFRO Cc1ccc(Cn2ncc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049605216 562665502 /nfs/dbraw/zinc/66/55/02/562665502.db2.gz SIRXXNTVMWWBRG-SZPZYZBQSA-N 1 0 557.098 5.751 1 0 KKAFRO CCCCCCNC(=O)[C@H]1Cc2c3cc(Br)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000049605254 562665598 /nfs/dbraw/zinc/66/55/98/562665598.db2.gz LRCHHSMBNSAOAB-HHHXNRCGSA-N 1 0 551.573 5.675 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000049605340 562665754 /nfs/dbraw/zinc/66/57/54/562665754.db2.gz PKYXUWWKQNXAKA-VZUCSPMQSA-N 1 0 568.549 6.396 1 0 KKAFRO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(OC)c2)CC1 ZINC000049605426 562665876 /nfs/dbraw/zinc/66/58/76/562665876.db2.gz ZVTKBCCEXNZESF-UHFFFAOYSA-N 1 0 602.950 6.149 1 0 KKAFRO Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)C[N@H+]3CC=CCC3)cc2)n1 ZINC000049605554 562666025 /nfs/dbraw/zinc/66/60/25/562666025.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 1 0 567.738 6.125 1 0 KKAFRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605545 562666045 /nfs/dbraw/zinc/66/60/45/562666045.db2.gz IGQADVDYHVHMJQ-LEWJYISDSA-N 1 0 619.943 7.342 1 0 KKAFRO Oc1ccc(-c2cc(COc3ccccc3C(F)(F)F)c(C3=CC[NH2+]CC3)cc2COc2ccccc2C(F)(F)F)cc1 ZINC000049605611 562666056 /nfs/dbraw/zinc/66/60/56/562666056.db2.gz PGBKXCXEXLPSTN-UHFFFAOYSA-N 1 0 599.571 8.632 1 0 KKAFRO COc1ccc(C(=O)C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049605661 562666163 /nfs/dbraw/zinc/66/61/63/562666163.db2.gz XBJGUDXTOVZAKH-UHFFFAOYSA-N 1 0 578.109 5.714 1 0 KKAFRO COc1cc(OC)cc(C(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049605691 562666204 /nfs/dbraw/zinc/66/62/04/562666204.db2.gz MFSAONLAIVFRNU-JGCGQSQUSA-N 1 0 583.556 6.648 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049605761 562666277 /nfs/dbraw/zinc/66/62/77/562666277.db2.gz RKSVHTHZRQMNTD-YGQVVATNSA-N 1 0 631.114 7.816 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000049605755 562666284 /nfs/dbraw/zinc/66/62/84/562666284.db2.gz RXONTSVTWRMLQQ-ORACPWPDSA-N 1 0 570.605 6.705 1 0 KKAFRO Cc1[nH]c2c(cc(NS(C)(=O)=O)cc2C)c1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049625677 562666806 /nfs/dbraw/zinc/66/68/06/562666806.db2.gz SHFLQCQOKMHDHV-FNORWQNLSA-N 1 0 617.643 6.594 1 0 KKAFRO Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 ZINC000049614335 562666588 /nfs/dbraw/zinc/66/65/88/562666588.db2.gz VIOKBNDQBQFHDH-XIFFEERXSA-O 1 0 722.913 7.104 1 0 KKAFRO COc1cccc(C2CC[NH+](CCN3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1 ZINC000049625534 562666767 /nfs/dbraw/zinc/66/67/67/562666767.db2.gz ZAKCDEDWQXGJQQ-UHFFFAOYSA-N 1 0 579.707 6.702 1 0 KKAFRO C[C@@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)c3)c(=O)c2Cl)C[C@@H](C)[NH2+]1 ZINC000049625667 562666853 /nfs/dbraw/zinc/66/68/53/562666853.db2.gz BAEPGMVUGRRLAR-NHCUHLMSSA-N 1 0 543.071 5.443 1 0 KKAFRO CCCC[NH+]1CCN(c2cc(NS(=O)(=O)c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)ccc2OC)CC1 ZINC000049625915 562666900 /nfs/dbraw/zinc/66/69/00/562666900.db2.gz HSJLDURWDGTKRQ-UHFFFAOYSA-N 1 0 590.668 5.689 1 0 KKAFRO COc1ccc2c(c1)c(C1CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC1)cn2C(C)C ZINC000049626073 562666979 /nfs/dbraw/zinc/66/69/79/562666979.db2.gz YFTGOZHPVVRKAZ-UHFFFAOYSA-N 1 0 591.718 8.306 1 0 KKAFRO COC(=O)COc1cc(C(=O)NCCCC[NH+]2CCC(c3ccc4c(c3OC)CCCC4)CC2)ccc1-c1ccc(Cl)cc1 ZINC000049626313 562667114 /nfs/dbraw/zinc/66/71/14/562667114.db2.gz WIFJTNJBEKEPSY-UHFFFAOYSA-N 1 0 619.202 6.836 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)c2cccs2)C1 ZINC000049626309 562667133 /nfs/dbraw/zinc/66/71/33/562667133.db2.gz RYECAVBLJLROOW-SDNYCIMKSA-N 1 0 536.569 6.277 1 0 KKAFRO CC[NH+]1CCC(N(CCCCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626350 562667144 /nfs/dbraw/zinc/66/71/44/562667144.db2.gz MTGQMPGBPSLIMJ-UHFFFAOYSA-N 1 0 709.844 8.980 1 0 KKAFRO COc1cc2nc(N3CCC(C[NH2+]Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049626613 562667263 /nfs/dbraw/zinc/66/72/63/562667263.db2.gz UONBOYSLZUGXKE-UHFFFAOYSA-N 1 0 551.613 5.921 1 0 KKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000049626767 562667296 /nfs/dbraw/zinc/66/72/96/562667296.db2.gz VXXLZBCUYKUQRC-UHFFFAOYSA-N 1 0 661.077 9.149 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049627003 562667459 /nfs/dbraw/zinc/66/74/59/562667459.db2.gz MARNXEAYIWDJRL-UHFFFAOYSA-N 1 0 643.178 7.151 1 0 KKAFRO Cc1ccc(Nc2[nH+]c3cc(N(C)c4ccnc(Nc5cccc(CCS(C)(=O)=O)c5)n4)ccc3n2C)cc1 ZINC000049626991 562667486 /nfs/dbraw/zinc/66/74/86/562667486.db2.gz JNJJIINWNYVBNK-UHFFFAOYSA-N 1 0 541.681 5.514 1 0 KKAFRO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049639157 562667678 /nfs/dbraw/zinc/66/76/78/562667678.db2.gz RRZNSSADTPDARM-DHIUTWEWSA-N 1 0 535.491 5.809 1 0 KKAFRO C[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cn(Cc2cc(Br)cc(Br)c2)c2ccccc12 ZINC000049639199 562667692 /nfs/dbraw/zinc/66/76/92/562667692.db2.gz UJENOYYPJPQWII-LJQANCHMSA-N 1 0 608.378 6.894 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000049650310 562668090 /nfs/dbraw/zinc/66/80/90/562668090.db2.gz MTCIPTUJJRPMSH-PQQNNWGCSA-N 1 0 737.866 5.569 1 0 KKAFRO COc1ccc([C@@H](CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677765 562668322 /nfs/dbraw/zinc/66/83/22/562668322.db2.gz XWEJKOCDJCMFCN-UFHPHHKVSA-N 1 0 674.845 5.354 1 0 KKAFRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678767 562668677 /nfs/dbraw/zinc/66/86/77/562668677.db2.gz PDSUGZQHFWZCJV-NEKDWFFYSA-N 1 0 614.743 5.449 1 0 KKAFRO CC(=O)N(C)C1CC[NH+](CC[C@](C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049679506 562668891 /nfs/dbraw/zinc/66/88/91/562668891.db2.gz OZJDKUMSRQSURZ-MHZLTWQESA-N 1 0 538.947 5.896 1 0 KKAFRO CC(=O)N(C)C1CC[NH+](CC[C@](C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049694407 562669337 /nfs/dbraw/zinc/66/93/37/562669337.db2.gz JMEKLKBPAWJBOV-MHZLTWQESA-N 1 0 590.489 6.400 1 0 KKAFRO CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N(C)CC[NH+](C)C)c2F)c1 ZINC000049694588 562669490 /nfs/dbraw/zinc/66/94/90/562669490.db2.gz UYOZPCXLATVAGV-UHFFFAOYSA-N 1 0 591.659 5.832 1 0 KKAFRO Brc1cc(Br)c2c(c1)[C@H](NCCC[NH2+][C@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710597 562671723 /nfs/dbraw/zinc/67/17/23/562671723.db2.gz ZDEPMBSNSMMZEB-KDURUIRLSA-N 1 0 652.067 6.720 1 0 KKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](CCC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000049710170 562671581 /nfs/dbraw/zinc/67/15/81/562671581.db2.gz SQUJAFQPAUVWQM-HHHXNRCGSA-N 1 0 660.486 9.196 1 0 KKAFRO CC(C)(C)[NH2+]CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049722523 562672153 /nfs/dbraw/zinc/67/21/53/562672153.db2.gz SDQZNMNQGMPDGI-UHFFFAOYSA-N 1 0 676.730 7.563 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722548 562672178 /nfs/dbraw/zinc/67/21/78/562672178.db2.gz HWCUEBFIQFKENW-UHFFFAOYSA-N 1 0 719.820 9.159 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCCOCCO)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722684 562672409 /nfs/dbraw/zinc/67/24/09/562672409.db2.gz LVWYNHSECXAVFF-UHFFFAOYSA-N 1 0 638.771 7.029 1 0 KKAFRO COc1cc2c(cc1OCC1CC[NH2+]CC1)nccc2Oc1ccc(NC(=O)N2CCN(c3ccccc3)C2=O)cc1F ZINC000049722841 562672606 /nfs/dbraw/zinc/67/26/06/562672606.db2.gz BBKJRGBHVYSTNV-UHFFFAOYSA-N 1 0 585.636 6.027 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049722909 562672679 /nfs/dbraw/zinc/67/26/79/562672679.db2.gz UTLKYCGMSXQOTG-VQHVLOKHSA-N 1 0 553.481 6.201 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3nc4ccccc4n3CCCO)CC2)CC1 ZINC000049723349 562673287 /nfs/dbraw/zinc/67/32/87/562673287.db2.gz CLTVFHKCIRYCAW-VQHVLOKHSA-N 1 0 555.550 5.857 1 0 KKAFRO Cc1[nH]c2c(cccc2C)c1C1CC[NH+](CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049744886 562673547 /nfs/dbraw/zinc/67/35/47/562673547.db2.gz FXYUQWYHOYJTBI-VQHVLOKHSA-N 1 0 538.563 7.613 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000049745087 562673672 /nfs/dbraw/zinc/67/36/72/562673672.db2.gz JTWIYPFIIKKSIS-ARKLPKAPSA-N 1 0 645.491 6.526 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2n1 ZINC000049745239 562673784 /nfs/dbraw/zinc/67/37/84/562673784.db2.gz GQWWJTNTIAKLMC-XVNBXDOJSA-N 1 0 554.522 5.960 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]([NH2+]CCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049745346 562673807 /nfs/dbraw/zinc/67/38/07/562673807.db2.gz YPCZREBHZQAZRQ-PDCROECWSA-N 1 0 511.795 6.038 1 0 KKAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049745510 562673913 /nfs/dbraw/zinc/67/39/13/562673913.db2.gz WSQIJEKGOHEDSO-IOWSJCHKSA-N 1 0 629.670 6.260 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000049745711 562674078 /nfs/dbraw/zinc/67/40/78/562674078.db2.gz INDQZIKNVBDUJX-UHFFFAOYSA-N 1 0 556.490 5.831 1 0 KKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)N2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000049745815 562674112 /nfs/dbraw/zinc/67/41/12/562674112.db2.gz LVRQQZJVENQWKK-UHFFFAOYSA-N 1 0 569.127 6.432 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CC[C@@H](NC(=O)Nc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000049746037 562674213 /nfs/dbraw/zinc/67/42/13/562674213.db2.gz IWJLSJBNSKIEOP-AREMUKBSSA-N 1 0 587.573 6.060 1 0 KKAFRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)o1)c1ccccc1 ZINC000049746726 562674566 /nfs/dbraw/zinc/67/45/66/562674566.db2.gz LZQKSLYUSQCUCN-GDLZYMKVSA-N 1 0 580.088 7.339 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049746940 562674699 /nfs/dbraw/zinc/67/46/99/562674699.db2.gz IVDQYSCNUUMVKV-WEVVVXLNSA-N 1 0 555.909 6.372 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756120 562674862 /nfs/dbraw/zinc/67/48/62/562674862.db2.gz OHKVKGLOZBILIN-SLFFLAALSA-N 1 0 589.461 6.437 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756122 562674882 /nfs/dbraw/zinc/67/48/82/562674882.db2.gz OHKVKGLOZBILIN-XUVXKRRUSA-N 1 0 589.461 6.437 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1OC(F)(F)F ZINC000049756313 562674955 /nfs/dbraw/zinc/67/49/55/562674955.db2.gz ZQXWSHOYNMQRDD-UHFFFAOYSA-N 1 0 624.689 6.574 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCOc1cccc2[nH]c4ccccc4c21)CCc1cc2c(cc1-3)OCO2 ZINC000049756479 562675029 /nfs/dbraw/zinc/67/50/29/562675029.db2.gz BCCXTLPULBTCHA-UHFFFAOYSA-N 1 0 573.669 7.350 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@@H](COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756858 562675252 /nfs/dbraw/zinc/67/52/52/562675252.db2.gz KEWIBIGKBFEKRG-DHWXLLNHSA-N 1 0 603.804 5.394 1 0 KKAFRO COc1ccc2c(c1)OC[C@H](Cc1ccc(OCC[NH+]3CCCCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049756907 562675286 /nfs/dbraw/zinc/67/52/86/562675286.db2.gz RPDRXDWOEZAHEN-MHZLTWQESA-N 1 0 550.721 5.063 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049757152 562675634 /nfs/dbraw/zinc/67/56/34/562675634.db2.gz ZEXJBANGHOAHDZ-UHFFFAOYSA-N 1 0 558.683 5.814 1 0 KKAFRO CCOC(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000049757377 562675955 /nfs/dbraw/zinc/67/59/55/562675955.db2.gz JZUJHAROVBBJDH-DOBADDLBSA-N 1 0 551.172 5.034 1 0 KKAFRO [NH2+]=C(Cc1c(C(=O)N2CCC(c3ccccc3F)CC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO ZINC000049761977 562676271 /nfs/dbraw/zinc/67/62/71/562676271.db2.gz DQLYQHCXTGRRAD-UHFFFAOYSA-N 1 0 566.464 6.504 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049762273 562676481 /nfs/dbraw/zinc/67/64/81/562676481.db2.gz OZWMSXPIQVMFDE-UHFFFAOYSA-N 1 0 540.693 5.675 1 0 KKAFRO Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(N)=[NH2+])cc1 ZINC000049765534 562676927 /nfs/dbraw/zinc/67/69/27/562676927.db2.gz RZICLJUZBDMUDV-NDEPHWFRSA-N 1 0 562.736 5.613 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3c(-c4cnn(CC[NH+]5CCCC5)c4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049775033 562678902 /nfs/dbraw/zinc/67/89/02/562678902.db2.gz CNAMYLDNIIXYMW-UHFFFAOYSA-N 1 0 545.569 5.627 1 0 KKAFRO COc1cc2cccc3c2c(c1)C(=O)N(CC1CC[NH+](C[C@@H](O)COc2cccc4[nH]c5ccccc5c42)CC1)C3=O ZINC000049775650 562679144 /nfs/dbraw/zinc/67/91/44/562679144.db2.gz SBAJMOUEQDPSIH-HSZRJFAPSA-N 1 0 563.654 5.231 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777058 562679600 /nfs/dbraw/zinc/67/96/00/562679600.db2.gz VGAVDTDGDWNIPB-YTTGMZPUSA-N 1 0 623.867 5.973 1 0 KKAFRO CCC(=O)NC(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000049777233 562679830 /nfs/dbraw/zinc/67/98/30/562679830.db2.gz PCVULHPMCAPMCJ-RYTSNQFKSA-N 1 0 535.773 5.099 1 0 KKAFRO O=C(N[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049777892 562680625 /nfs/dbraw/zinc/68/06/25/562680625.db2.gz NFWXZIIEKXXDMY-IOWSJCHKSA-N 1 0 655.846 6.477 1 0 KKAFRO CCC[N@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000049778044 562680827 /nfs/dbraw/zinc/68/08/27/562680827.db2.gz QOLPKTSVKSOCOP-SJBRTRFPSA-N 1 0 509.819 7.114 1 0 KKAFRO CC(C)c1ccc(NC(=O)NCCC[C@@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049778075 562680844 /nfs/dbraw/zinc/68/08/44/562680844.db2.gz YIYGCJCPGKWKQB-JGCGNYSVSA-N 1 0 587.636 7.730 1 0 KKAFRO CC(C)(CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049778059 562680850 /nfs/dbraw/zinc/68/08/50/562680850.db2.gz MMWJADBYULECMM-UHFFFAOYSA-N 1 0 578.544 6.457 1 0 KKAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049778089 562680901 /nfs/dbraw/zinc/68/09/01/562680901.db2.gz FTELGEBVTVVDAH-SFQUDFHCSA-N 1 0 547.648 5.505 1 0 KKAFRO O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000049778311 562681195 /nfs/dbraw/zinc/68/11/95/562681195.db2.gz IMQBTGWOTKESLU-YZNIXAGQSA-N 1 0 709.517 8.558 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780767 562682229 /nfs/dbraw/zinc/68/22/29/562682229.db2.gz DNIQTSLHXSQKBK-QNGWXLTQSA-N 1 0 641.894 6.344 1 0 KKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CC(c4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781274 562682873 /nfs/dbraw/zinc/68/28/73/562682873.db2.gz KNGAQMBDICLRPO-GIWKVKTRSA-N 1 0 545.727 7.992 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(C(=O)NCCCN4CC[NH+](C)CC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784689 562683726 /nfs/dbraw/zinc/68/37/26/562683726.db2.gz OPSVHJZYWJYWSU-UHFFFAOYSA-N 1 0 605.747 5.125 1 0 KKAFRO CC[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049793236 562684637 /nfs/dbraw/zinc/68/46/37/562684637.db2.gz ICNXLCSJEDSWTK-UIOOFZCWSA-N 1 0 593.775 5.297 1 0 KKAFRO C[NH+](C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5ccccc5)c4)nc4sccn43)n2)c1 ZINC000049793428 562684794 /nfs/dbraw/zinc/68/47/94/562684794.db2.gz JPSXZEQQHPNTNX-UHFFFAOYSA-N 1 0 573.726 6.549 1 0 KKAFRO O=C(N[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793696 562685095 /nfs/dbraw/zinc/68/50/95/562685095.db2.gz NFWXZIIEKXXDMY-FIRIVFDPSA-N 1 0 655.846 6.477 1 0 KKAFRO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C[C@@H]2CCC[N@@H+]2C(C)C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793911 562685301 /nfs/dbraw/zinc/68/53/01/562685301.db2.gz NWQJFPWWHYXJHA-RDGATRHJSA-N 1 0 639.694 6.342 1 0 KKAFRO CCCC[C@H]1CN(C[C@@H]2CCCCO2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 ZINC000049802272 562685577 /nfs/dbraw/zinc/68/55/77/562685577.db2.gz VQXGQXVCZKFEQP-SVBPBHIXSA-N 1 0 554.776 5.355 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+](CC)CC)cc43)ccc2s1 ZINC000049807869 562686490 /nfs/dbraw/zinc/68/64/90/562686490.db2.gz DEBGZZNPZZZXRE-UHFFFAOYSA-N 1 0 508.644 5.884 1 0 KKAFRO CC(=O)Nc1nc([C@H](CC[N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000049817352 562686829 /nfs/dbraw/zinc/68/68/29/562686829.db2.gz KOQXGZHDIQDDAK-MLIAIACYSA-N 1 0 650.689 7.236 1 0 KKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823289 562687173 /nfs/dbraw/zinc/68/71/73/562687173.db2.gz LEISAHGPHFOWKZ-LJAQVGFWSA-N 1 0 665.279 5.029 1 0 KKAFRO COc1ccc2cc1-c1cc(ccc1OC)C(=O)[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C2)CCN1C ZINC000049832955 562687333 /nfs/dbraw/zinc/68/73/33/562687333.db2.gz TUBUFGSPDJQCJZ-ZADIWHOSSA-N 1 0 650.772 6.686 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000049833203 562687566 /nfs/dbraw/zinc/68/75/66/562687566.db2.gz OIIVAUPRMHYHRI-IAKKQPNNSA-N 1 0 724.383 7.980 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4cccc(F)c4[nH]c3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000049841566 562688479 /nfs/dbraw/zinc/68/84/79/562688479.db2.gz VSFVJUGJKGGXCD-WJOKGBTCSA-N 1 0 642.776 5.256 1 0 KKAFRO COC(=O)CCC[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049844713 562688565 /nfs/dbraw/zinc/68/85/65/562688565.db2.gz FDMBTLJSOVSBHD-SANMLTNESA-N 1 0 631.598 5.315 1 0 KKAFRO CC[C@@H](C)[C@H]1C(=O)Nc2ccc(NCCOCCOCC[NH3+])cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 ZINC000049850697 562688754 /nfs/dbraw/zinc/68/87/54/562688754.db2.gz GQOCMXKHMVBLPM-DFXYEROKSA-N 1 0 652.718 5.595 1 0 KKAFRO O=C(Cc1ccccc1)N(CCC[NH2+]CCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000049877733 562690271 /nfs/dbraw/zinc/69/02/71/562690271.db2.gz AZFVTCVHYZGGQC-UHFFFAOYSA-N 1 0 547.743 5.899 1 0 KKAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888968 562691664 /nfs/dbraw/zinc/69/16/64/562691664.db2.gz LOOANSAOYXBBSO-QFIPXVFZSA-N 1 0 554.135 5.018 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049889186 562691876 /nfs/dbraw/zinc/69/18/76/562691876.db2.gz ZAPNGIWMQBMSHT-UHFFFAOYSA-N 1 0 716.793 7.042 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000049889575 562692225 /nfs/dbraw/zinc/69/22/25/562692225.db2.gz MPGXVOKLEKYKQS-RTKAOUNRSA-N 1 0 576.732 6.478 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000049899619 562693290 /nfs/dbraw/zinc/69/32/90/562693290.db2.gz WAWIKEWBQDINBR-SSEXGKCCSA-N 1 0 645.780 5.047 1 0 KKAFRO O=C(Cc1ccccc1)N[C@H](CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049908043 562693404 /nfs/dbraw/zinc/69/34/04/562693404.db2.gz JVRCCBYTGCVJSV-HHHXNRCGSA-N 1 0 558.937 6.331 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2cccnc21 ZINC000049908031 562693427 /nfs/dbraw/zinc/69/34/27/562693427.db2.gz DTVOVULKDHBUFA-UHFFFAOYSA-N 1 0 677.718 6.911 1 0 KKAFRO O=C(c1ccc(F)c(F)c1)N1CCO[C@@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049908066 562693457 /nfs/dbraw/zinc/69/34/57/562693457.db2.gz HRHBIBJJCOSFBP-SSEXGKCCSA-N 1 0 559.484 6.909 1 0 KKAFRO O=C(NCCCC[N@H+]1CC=C(c2ccc3c(c2OCc2ccccc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917539 562693557 /nfs/dbraw/zinc/69/35/57/562693557.db2.gz JWFCASCGOAKGMM-UHFFFAOYSA-N 1 0 638.774 9.130 1 0 KKAFRO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917590 562693603 /nfs/dbraw/zinc/69/36/03/562693603.db2.gz GGIHBVOKRSMNKK-CCDWMCETSA-N 1 0 543.539 5.768 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917593 562693608 /nfs/dbraw/zinc/69/36/08/562693608.db2.gz ICIDSHHZAPVAKX-JUKUECOXSA-N 1 0 637.756 5.306 1 0 KKAFRO COc1cc(C=CC(=O)NC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)[NH2+]Cc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917605 562693640 /nfs/dbraw/zinc/69/36/40/562693640.db2.gz KLFABNHTMURDPS-PRSVDJLGSA-N 1 0 684.429 5.860 1 0 KKAFRO CCOC(=O)c1cc(C(=O)NCCCC[NH+]2CCC(c3ccc(CC)cc3OCC)CC2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000049917648 562693684 /nfs/dbraw/zinc/69/36/84/562693684.db2.gz CSSMOGYHEKSGMW-UHFFFAOYSA-N 1 0 624.744 7.900 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1 ZINC000049917659 562693685 /nfs/dbraw/zinc/69/36/85/562693685.db2.gz JAPFQZAJGVYFLV-JGCGQSQUSA-N 1 0 598.571 7.040 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)c2c1 ZINC000049917691 562693725 /nfs/dbraw/zinc/69/37/25/562693725.db2.gz GXHGBOIBZXFEGS-UHFFFAOYSA-N 1 0 559.110 6.472 1 0 KKAFRO COc1ccc2c(c1)C[C@H]1C[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917675 562693728 /nfs/dbraw/zinc/69/37/28/562693728.db2.gz HMNBYPOENJHEBF-NDEPHWFRSA-N 1 0 581.544 5.507 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21)c1cc(C2CCCC2)cc(N2CCCC2=O)c1 ZINC000049917712 562693815 /nfs/dbraw/zinc/69/38/15/562693815.db2.gz BKTMOMBFJLMNTP-OUYGKKDFSA-N 1 0 565.758 5.840 1 0 KKAFRO COc1c(C2CC[NH+](CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc2c1CCCC2 ZINC000049917766 562693885 /nfs/dbraw/zinc/69/38/85/562693885.db2.gz HFVNLHZHHKZGCM-UHFFFAOYSA-N 1 0 619.772 7.334 1 0 KKAFRO CC(=O)Oc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049917785 562693925 /nfs/dbraw/zinc/69/39/25/562693925.db2.gz HIICYMJVFYEKBG-UHFFFAOYSA-N 1 0 552.637 6.996 1 0 KKAFRO O=c1cc(NCC[C@@H](C[NH2+]CCc2ccccc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917822 562693944 /nfs/dbraw/zinc/69/39/44/562693944.db2.gz DLYOUUBWJDFSFV-DEOSSOPVSA-N 1 0 598.383 5.846 1 0 KKAFRO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCC[C@@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917842 562693982 /nfs/dbraw/zinc/69/39/82/562693982.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 1 0 572.540 8.171 1 0 KKAFRO C[C@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000049917861 562694044 /nfs/dbraw/zinc/69/40/44/562694044.db2.gz GRBGQMNUHSAYID-SFTDATJTSA-N 1 0 577.655 5.716 1 0 KKAFRO O=C(NC[C@H](CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000049917877 562694047 /nfs/dbraw/zinc/69/40/47/562694047.db2.gz AAZHFPOAWJIRMT-DEOSSOPVSA-N 1 0 549.546 8.040 1 0 KKAFRO COc1cc(NC(=O)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C(C)C)CC1 ZINC000049917891 562694067 /nfs/dbraw/zinc/69/40/67/562694067.db2.gz XYBJTRRZOLJVGE-UHFFFAOYSA-N 1 0 548.559 5.073 1 0 KKAFRO CC[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000049917927 562694112 /nfs/dbraw/zinc/69/41/12/562694112.db2.gz GWKHMYPPIJIXLO-UMSFTDKQSA-N 1 0 584.764 7.243 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049917983 562694272 /nfs/dbraw/zinc/69/42/72/562694272.db2.gz DQLRKXOTBPSGAI-SOFGYWHQSA-N 1 0 572.364 6.840 1 0 KKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000049918059 562694386 /nfs/dbraw/zinc/69/43/86/562694386.db2.gz JWZMHVOMNIQUEE-UHFFFAOYSA-N 1 0 535.591 6.609 1 0 KKAFRO C[NH2+]CCN(C)C(=O)Oc1c(Br)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049918102 562694446 /nfs/dbraw/zinc/69/44/46/562694446.db2.gz QMMXRSVYHRVIBW-UHFFFAOYSA-N 1 0 568.390 6.469 1 0 KKAFRO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@@H]3CCC[N@@H+]3C)cc21 ZINC000049918080 562694450 /nfs/dbraw/zinc/69/44/50/562694450.db2.gz YPAALVSCLPQHDI-YTTGMZPUSA-N 1 0 703.752 7.882 1 0 KKAFRO CN(C)c1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CCC[NH+]1CCCCC1 ZINC000049918127 562694519 /nfs/dbraw/zinc/69/45/19/562694519.db2.gz GVEBYFHRVVDNBN-UHFFFAOYSA-N 1 0 547.128 6.059 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2c1CCCC2 ZINC000049918173 562694558 /nfs/dbraw/zinc/69/45/58/562694558.db2.gz VMKOOCCTXCYNDB-UHFFFAOYSA-N 1 0 679.774 7.847 1 0 KKAFRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918179 562694568 /nfs/dbraw/zinc/69/45/68/562694568.db2.gz MLJAUVIDNIEKEN-OEMHODTASA-N 1 0 549.499 5.206 1 0 KKAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@@H]4C(=O)NCCCNC(=O)c4ccc(C(N)=[NH2+])cc4)c3Cl)c2n1 ZINC000049937658 562694990 /nfs/dbraw/zinc/69/49/90/562694990.db2.gz XUHBBTKJWIBQMY-HHHXNRCGSA-N 1 0 711.672 5.111 1 0 investigational KKAFRO COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2Cl)cc1 ZINC000049938275 562695142 /nfs/dbraw/zinc/69/51/42/562695142.db2.gz RDGRXILQZGPEOG-UHFFFAOYSA-N 1 0 659.636 5.791 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)c3ccc(Cl)cc3)C2)C1 ZINC000049942283 562695404 /nfs/dbraw/zinc/69/54/04/562695404.db2.gz ZIYMZLIFVYQZGG-CONSDPRKSA-N 1 0 641.178 7.324 1 0 KKAFRO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(-c3cccnc3)cc1)CC2 ZINC000053226632 562696591 /nfs/dbraw/zinc/69/65/91/562696591.db2.gz WIXDRALQUASGOY-NDEPHWFRSA-N 1 0 502.703 5.181 1 0 KKAFRO CCn1cc(Cc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000053275910 562697032 /nfs/dbraw/zinc/69/70/32/562697032.db2.gz WXGYWZXOTMEBIY-VUHKNJSWSA-N 1 0 568.806 6.422 1 0 KKAFRO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058482358 562698014 /nfs/dbraw/zinc/69/80/14/562698014.db2.gz BEOPGQZLRRYYIV-UACNCODXSA-N 1 0 501.711 5.925 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000058508365 562698402 /nfs/dbraw/zinc/69/84/02/562698402.db2.gz AINQVQKSQFDZMT-IPQUOWEQSA-N 1 0 547.655 5.490 1 0 KKAFRO CS(=O)(=O)N1CCC[C@H]([C@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000058565844 562699435 /nfs/dbraw/zinc/69/94/35/562699435.db2.gz MTVVJDHGBGCJKF-IGKIAQTJSA-N 1 0 657.721 6.079 1 0 KKAFRO CCOC(=O)c1ccc(C2CC[NH+](CCCCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)cc1O ZINC000058575542 562699640 /nfs/dbraw/zinc/69/96/40/562699640.db2.gz CYYGNFHTNGYTMY-UHFFFAOYSA-N 1 0 515.629 6.249 1 0 KKAFRO COCCc1ccc(Cl)c(CN(CC2CCC2)C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 ZINC000058591971 562700547 /nfs/dbraw/zinc/70/05/47/562700547.db2.gz PYOBYXLCDUIIDY-HHHXNRCGSA-N 1 0 648.071 7.548 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058591977 562700563 /nfs/dbraw/zinc/70/05/63/562700563.db2.gz FSAUQRMCXJUNFA-RUZDIDTESA-N 1 0 604.018 7.074 1 0 KKAFRO C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CC[NH+](C)CC5)n4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058598800 562700746 /nfs/dbraw/zinc/70/07/46/562700746.db2.gz TYQDNFSUWCTPOC-GOSISDBHSA-N 1 0 588.137 5.942 1 0 KKAFRO COCCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031000 562701590 /nfs/dbraw/zinc/70/15/90/562701590.db2.gz YKXBGFUGODNNQZ-MUUNZHRXSA-N 1 0 578.580 8.209 1 0 KKAFRO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000061903572 562702986 /nfs/dbraw/zinc/70/29/86/562702986.db2.gz WRGNBMQDYUXXJC-PMERELPUSA-N 1 0 510.613 5.279 3 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1ccccn1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905700 562703005 /nfs/dbraw/zinc/70/30/05/562703005.db2.gz WKOVGSLPZKLPJM-VWLOTQADSA-N 1 0 518.872 6.038 3 0 KKAFRO Cn1cc(C[NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906728 562703066 /nfs/dbraw/zinc/70/30/66/562703066.db2.gz KZDWDINWVSMMAP-HKBQPEDESA-N 1 0 506.625 5.983 3 0 KKAFRO Clc1cc(Cl)cc(Nc2ccccc2C[N@H+](C/C=C/c2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000061921049 562703130 /nfs/dbraw/zinc/70/31/30/562703130.db2.gz KDVPNFPCRYWYEE-RMKNXTFCSA-N 1 0 517.456 8.181 3 0 KKAFRO O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)[N@@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923838 562703567 /nfs/dbraw/zinc/70/35/67/562703567.db2.gz OLUKHOPUUWMDEI-PVHODMMVSA-N 1 0 509.050 5.218 3 0 KKAFRO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061925942 562703609 /nfs/dbraw/zinc/70/36/09/562703609.db2.gz XJWCDQUOSZJQRM-GDLZYMKVSA-N 1 0 500.042 5.885 3 0 KKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(CO)c3)C[C@@H]2C1)C(C)C ZINC000064415664 562704995 /nfs/dbraw/zinc/70/49/95/562704995.db2.gz LYEQKYURSBNTPS-PEGYQXGSSA-N 1 0 516.101 6.435 1 0 KKAFRO C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000064426371 562705139 /nfs/dbraw/zinc/70/51/39/562705139.db2.gz VPGHDTVGVDIOJE-CXVLVDDRSA-N 1 0 591.193 5.557 1 0 KKAFRO COc1cc(-c2nc(CNCCC[NH+](C)C)cc3c4ccccc4n(CCCc4ccccc4)c32)cc(OC)c1OC ZINC000064447261 562705346 /nfs/dbraw/zinc/70/53/46/562705346.db2.gz JWIYRTANBHHNEM-UHFFFAOYSA-N 1 0 566.746 6.556 1 0 KKAFRO Fc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3C2CCC2)cc(F)c1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447953 562705434 /nfs/dbraw/zinc/70/54/34/562705434.db2.gz KTBSGJWSNJQXQG-GOTSBHOMSA-N 1 0 574.639 6.095 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448606 562705569 /nfs/dbraw/zinc/70/55/69/562705569.db2.gz FEQYKRPKYRMPLO-PMACEKPBSA-N 1 0 534.574 5.173 1 0 KKAFRO CCNC(=O)[C@H]1CC[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)[NH2+]C1 ZINC000064512959 562706330 /nfs/dbraw/zinc/70/63/30/562706330.db2.gz XEGOLLHFEQVDHJ-SAHWJRBASA-N 1 0 502.499 5.833 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OCc1ccc(C(C)C)cc1 ZINC000064527681 562707066 /nfs/dbraw/zinc/70/70/66/562707066.db2.gz GGIOHNUJMNPZTH-UHFFFAOYSA-N 1 0 586.752 8.504 1 0 KKAFRO CC(C)([NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064539454 562707563 /nfs/dbraw/zinc/70/75/63/562707563.db2.gz SMYDOLKSTUVUCN-UIOOFZCWSA-N 1 0 564.517 5.665 1 0 KKAFRO O=C(Nc1cccc(NC(=O)c2cccc(N3CCOCC3)c2)c1)c1cccc(OC2CC[NH+](CC3CC3)CC2)c1 ZINC000064539899 562707622 /nfs/dbraw/zinc/70/76/22/562707622.db2.gz RZNLFQOPBPAEJU-UHFFFAOYSA-N 1 0 554.691 5.281 1 0 KKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000064548802 562707935 /nfs/dbraw/zinc/70/79/35/562707935.db2.gz PHUWAMRFIHBBMJ-OALGXETFSA-N 1 0 578.544 6.226 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)CC1 ZINC000064574045 562708769 /nfs/dbraw/zinc/70/87/69/562708769.db2.gz DSLNSSBBWLMIIQ-GUFPOKFQSA-N 1 0 534.915 5.804 1 0 KKAFRO O=C(/C=C\c1ccc(Br)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000064585755 562708801 /nfs/dbraw/zinc/70/88/01/562708801.db2.gz DNHNCKALBUEIIP-YFHOEESVSA-N 1 0 520.515 6.452 1 0 KKAFRO O=C(/C=C/c1ccccc1)NCCC[C@H]1CCC[N@@H+](CCCCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000064585829 562708812 /nfs/dbraw/zinc/70/88/12/562708812.db2.gz MTIBFGQHSSIDCG-LAROHYMCSA-N 1 0 556.578 6.615 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]2(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066116 562709311 /nfs/dbraw/zinc/70/93/11/562709311.db2.gz HNONFUHKZPMDDO-WXGMZPBLSA-N 1 0 632.554 7.056 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066066447 562709371 /nfs/dbraw/zinc/70/93/71/562709371.db2.gz XQZPJUKBNPBJEI-QPQHGXMVSA-N 1 0 578.584 6.346 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1 ZINC000066073699 562709508 /nfs/dbraw/zinc/70/95/08/562709508.db2.gz QLLNKTNPRXOQMG-SYBRLPANSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073703 562709522 /nfs/dbraw/zinc/70/95/22/562709522.db2.gz BHFWFRYXVQJKHL-ZUKKLESISA-N 1 0 632.554 7.056 1 0 KKAFRO COc1ccc(CN(C)C(=O)[C@@]2(c3ccc(Cl)c(Cl)c3)C[C@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c(OC)c1 ZINC000066074111 562709686 /nfs/dbraw/zinc/70/96/86/562709686.db2.gz ZCNZYJLLFKFZPD-NDOVKIIASA-N 1 0 624.609 6.054 1 0 KKAFRO CC[NH+](CC)CCNc1nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)nc(Nc2ccccc2C)n1 ZINC000066076374 562710133 /nfs/dbraw/zinc/71/01/33/562710133.db2.gz BSECIBIMQZVVJQ-UHFFFAOYSA-N 1 0 568.129 7.366 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(Cl)c2)CC1 ZINC000066077163 562710227 /nfs/dbraw/zinc/71/02/27/562710227.db2.gz ZUQVUNAHJSVZOQ-QVWWMRLHSA-N 1 0 548.102 5.523 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)c(C)c2)CC1 ZINC000066099947 562711198 /nfs/dbraw/zinc/71/11/98/562711198.db2.gz DWYWNTMREHRHJA-BFGHFXMOSA-N 1 0 541.711 5.486 1 0 KKAFRO CC(C)[NH2+]Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100600 562711244 /nfs/dbraw/zinc/71/12/44/562711244.db2.gz CFHYBQICSRKUFF-QFIPXVFZSA-N 1 0 566.624 6.483 1 0 KKAFRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCCn2c(=O)c(-c3ccccc3C)c3n(c2=O)CCCC3)CC1 ZINC000066101062 562711350 /nfs/dbraw/zinc/71/13/50/562711350.db2.gz YDDWWIJTBJHJRT-UHFFFAOYSA-N 1 0 524.709 5.771 1 0 KKAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101600 562711395 /nfs/dbraw/zinc/71/13/95/562711395.db2.gz XWIGQKXPVMJLRO-UBVJSSEKSA-N 1 0 613.806 7.220 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3cccc(NC(C)=O)c3)cs2)cc1 ZINC000066102335 562711438 /nfs/dbraw/zinc/71/14/38/562711438.db2.gz JRVRQJGUHSOXES-UHFFFAOYSA-N 1 0 540.755 5.792 1 0 KKAFRO CC[NH+](CC)CCc1cccc(OCc2ccc([C@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)c1 ZINC000066113829 562712226 /nfs/dbraw/zinc/71/22/26/562712226.db2.gz MLXXMWQQZWZSJP-XIFFEERXSA-N 1 0 508.662 6.821 1 0 KKAFRO CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066129600 562713018 /nfs/dbraw/zinc/71/30/18/562713018.db2.gz SLYDUSXXBLEENW-UHFFFAOYSA-N 1 0 535.754 5.493 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066136357 562713095 /nfs/dbraw/zinc/71/30/95/562713095.db2.gz INQGAJOZVOGFTI-UMQWNRPGSA-N 1 0 575.672 5.576 3 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136434 562713135 /nfs/dbraw/zinc/71/31/35/562713135.db2.gz FJOUSLJCSOLAGW-YRCZKMHPSA-N 1 0 642.036 6.660 3 0 KKAFRO CC(C)[N@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)Cc1ccccc1 ZINC000066136497 562713177 /nfs/dbraw/zinc/71/31/77/562713177.db2.gz AUDOQLDDBJTXAU-UHFFFAOYSA-N 1 0 547.765 5.853 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000066148073 562713570 /nfs/dbraw/zinc/71/35/70/562713570.db2.gz SCAUOYDVVUBTHZ-RNDKRWLGSA-N 1 0 626.729 6.614 3 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)CC2 ZINC000066251213 562714432 /nfs/dbraw/zinc/71/44/32/562714432.db2.gz OBUQIFKTJKKCJR-UHFFFAOYSA-N 1 0 575.597 7.065 1 0 KKAFRO FC(F)(F)c1ccc(Nc2nc(NC[C@H]3CCCC[NH2+]3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066259388 562715252 /nfs/dbraw/zinc/71/52/52/562715252.db2.gz VZEJNYBCKKADCX-LJQANCHMSA-N 1 0 565.566 5.812 1 0 KKAFRO COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]2CC(=O)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087529 562715755 /nfs/dbraw/zinc/71/57/55/562715755.db2.gz XPZQCKNZYVHICG-LJAQVGFWSA-N 1 0 649.600 6.018 1 0 KKAFRO COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000068246651 562716148 /nfs/dbraw/zinc/71/61/48/562716148.db2.gz LANNZQCALHSARO-WDYNHAJCSA-N 1 0 646.055 7.486 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cn2)c(=O)c2c(Cl)cccc12 ZINC000068246840 562716185 /nfs/dbraw/zinc/71/61/85/562716185.db2.gz MZSXUPHOLCLGAB-HHHXNRCGSA-N 1 0 542.083 5.536 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccccc1 ZINC000070631596 562716446 /nfs/dbraw/zinc/71/64/46/562716446.db2.gz FYJDUABSMKOHTB-ZJGIAAPESA-N 1 0 515.742 5.715 1 0 KKAFRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1 ZINC000070631595 562716457 /nfs/dbraw/zinc/71/64/57/562716457.db2.gz YZRLWQACIOKUIV-NLFWHDTNSA-N 1 0 545.768 5.724 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000070631591 562716463 /nfs/dbraw/zinc/71/64/63/562716463.db2.gz LVPHHNAIQIAGFF-USOMCTOXSA-N 1 0 550.187 6.368 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000071280686 562716513 /nfs/dbraw/zinc/71/65/13/562716513.db2.gz YBODQSWROIJMDW-BETPUDKTSA-N 1 0 575.757 5.876 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000071295870 562717329 /nfs/dbraw/zinc/71/73/29/562717329.db2.gz FRIFKHCBKHZZLE-BCFRNYDHSA-N 1 0 639.866 6.027 1 0 KKAFRO C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)[C@H]4CCC[NH2+]4)C(C)(C)[C@@H]3CC[C@]12C ZINC000071295856 562717382 /nfs/dbraw/zinc/71/73/82/562717382.db2.gz UCZGQUVPWMSBFJ-ZVIQRKHGSA-N 1 0 557.860 7.044 1 0 KKAFRO CCC[N@@H+]1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296832 562717587 /nfs/dbraw/zinc/71/75/87/562717587.db2.gz CRNOHPGCPLJAOD-WJBZFFPXSA-N 1 0 503.771 7.454 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC000071315975 562717782 /nfs/dbraw/zinc/71/77/82/562717782.db2.gz QWZMXDMMLKZNEH-AWEZNQCLSA-N 1 0 513.263 5.254 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318501 562718535 /nfs/dbraw/zinc/71/85/35/562718535.db2.gz GWAWCEXQGCBEJE-DNOBIOAJSA-N 1 0 626.006 5.881 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071319255 562718719 /nfs/dbraw/zinc/71/87/19/562718719.db2.gz QGZPBSFUMWAXER-UZTOHYMASA-N 1 0 580.478 7.448 1 0 KKAFRO Cc1cccnc1O[C@H](c1ccc(C(F)(F)F)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 ZINC000071319245 562718729 /nfs/dbraw/zinc/71/87/29/562718729.db2.gz PCRDJCMCFNPFTE-NIYFSFCBSA-N 1 0 595.493 7.151 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3Cl)CC2)c1 ZINC000071329185 562718833 /nfs/dbraw/zinc/71/88/33/562718833.db2.gz PCCMJGKKIJJHFG-UHFFFAOYSA-N 1 0 521.492 7.238 1 0 KKAFRO COc1ccc(-c2cc3c(cc2Cl)ncc(-c2cc(C)cc(C)c2)c3OCC[C@H]2CCCC[NH2+]2)cn1 ZINC000071329097 562718838 /nfs/dbraw/zinc/71/88/38/562718838.db2.gz DJYFUVCIZAKTJT-HSZRJFAPSA-N 1 0 502.058 7.154 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000071329308 562718899 /nfs/dbraw/zinc/71/88/99/562718899.db2.gz YEPHDGFKVQDXBN-QYBDOPJKSA-N 1 0 592.365 6.587 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071329660 562719003 /nfs/dbraw/zinc/71/90/03/562719003.db2.gz ZPFKKRJCHIOPEY-DNOBIOAJSA-N 1 0 614.923 8.101 1 0 KKAFRO C[N@H+](CC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330166 562719064 /nfs/dbraw/zinc/71/90/64/562719064.db2.gz QJIHBQHUALITFU-XMMPIXPASA-N 1 0 510.509 5.570 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330880 562719243 /nfs/dbraw/zinc/71/92/43/562719243.db2.gz KUNKHTFNDVNYBY-LBNVMWSVSA-N 1 0 537.100 5.834 1 0 KKAFRO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331590 562719296 /nfs/dbraw/zinc/71/92/96/562719296.db2.gz WLNIVNVJKHJSOQ-SUUHDTSPSA-N 1 0 577.899 7.421 1 0 KKAFRO O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103478 562720341 /nfs/dbraw/zinc/72/03/41/562720341.db2.gz OLUKHOPUUWMDEI-VJGNERBWSA-N 1 0 509.050 5.218 1 0 KKAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCCCC[n+]1ccn(Cc2ccc(F)cc2F)c1 ZINC000072106568 562721100 /nfs/dbraw/zinc/72/11/00/562721100.db2.gz FJBDTCPFARFQHX-UHFFFAOYSA-N 1 0 553.427 5.874 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107099 562721178 /nfs/dbraw/zinc/72/11/78/562721178.db2.gz CFTPYNUSGDCEFZ-WEWMWRJBSA-N 1 0 668.191 7.493 1 0 KKAFRO CC(C)C(=O)CO[C@H](C)OC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000072109687 562721615 /nfs/dbraw/zinc/72/16/15/562721615.db2.gz MFMVZFKHSFEUBT-QHCPKHFHSA-N 1 0 603.681 8.404 1 0 KKAFRO CC[N@H+](CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O)Cc1ccccc1 ZINC000072112146 562722015 /nfs/dbraw/zinc/72/20/15/562722015.db2.gz FZIGSBNUCVLZFQ-VMIUUUFISA-N 1 0 506.731 6.311 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113446 562722367 /nfs/dbraw/zinc/72/23/67/562722367.db2.gz QMHGAMYFRQHCRD-RYWJELEGSA-N 1 0 504.719 5.904 1 0 KKAFRO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113484 562722388 /nfs/dbraw/zinc/72/23/88/562722388.db2.gz HEZCODJCDJDAQH-IIMVBQHGSA-N 1 0 504.719 6.021 1 0 KKAFRO Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCOc2cccc(-c3cc4ccccc4o3)c2)CCCC1 ZINC000072113621 562722419 /nfs/dbraw/zinc/72/24/19/562722419.db2.gz WJLFEPIYIQDTHA-UHFFFAOYSA-N 1 0 539.119 9.622 1 0 KKAFRO CC[C@H](c1nc2sc(Cl)c(Br)c2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C)cc1 ZINC000072118209 562723463 /nfs/dbraw/zinc/72/34/63/562723463.db2.gz CCRVQJPLDRGNNP-HXUWFJFHSA-N 1 0 587.971 6.173 1 0 KKAFRO CC(C)NC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CC[NH3+])cc2)n1 ZINC000072118399 562723512 /nfs/dbraw/zinc/72/35/12/562723512.db2.gz SIXQPOCZRDOFRL-UHFFFAOYSA-N 1 0 535.570 5.651 1 0 KKAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C(=O)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000072118596 562723581 /nfs/dbraw/zinc/72/35/81/562723581.db2.gz YKBXLYRXVGDXIF-RUZDIDTESA-N 1 0 500.668 5.160 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000072122090 562724351 /nfs/dbraw/zinc/72/43/51/562724351.db2.gz CHFYKRHHVBHPRB-VBEKBXFHSA-N 1 0 685.693 7.565 3 0 KKAFRO COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncn2)c1Cl ZINC000072123052 562724659 /nfs/dbraw/zinc/72/46/59/562724659.db2.gz YCXMKEVLJQGEKJ-UHFFFAOYSA-N 1 0 561.470 5.687 1 0 KKAFRO O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1Cl ZINC000072123748 562724933 /nfs/dbraw/zinc/72/49/33/562724933.db2.gz ZUOUNFWNIKLCLI-UMSFTDKQSA-N 1 0 674.286 5.156 1 0 KKAFRO FC(F)(F)c1cc(-c2ccc3c(NCCC[NH2+]Cc4ccc5c(c4)OCO5)cc[nH+]c3c2)cc(C(F)(F)F)c1 ZINC000072124296 562724996 /nfs/dbraw/zinc/72/49/96/562724996.db2.gz JKHFSLBEFZOLFH-UHFFFAOYSA-N 1 0 547.499 7.260 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000072127039 562725598 /nfs/dbraw/zinc/72/55/98/562725598.db2.gz YDGJQJIVZCLABT-YZZMFXRHSA-N 1 0 641.834 5.744 3 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128003 562726006 /nfs/dbraw/zinc/72/60/06/562726006.db2.gz ULDPFQYFHJFBOQ-ZQWQDMLBSA-N 1 0 726.069 6.759 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726107 /nfs/dbraw/zinc/72/61/07/562726107.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 1 0 678.274 6.941 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072128647 562726187 /nfs/dbraw/zinc/72/61/87/562726187.db2.gz PCXUVPXCMZTHGL-CUPIEXAXSA-N 1 0 680.041 6.331 3 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000072131724 562726870 /nfs/dbraw/zinc/72/68/70/562726870.db2.gz DJRCLEMZCMTTDS-MYUZEXMDSA-N 1 0 648.475 8.467 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072134830 562727330 /nfs/dbraw/zinc/72/73/30/562727330.db2.gz YABSBZZUJWTBJP-WISKXVKBSA-N 1 0 670.005 6.129 3 0 KKAFRO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072135892 562727637 /nfs/dbraw/zinc/72/76/37/562727637.db2.gz JQPAJQARRJIYSV-XDWGWCSASA-N 1 0 622.766 6.358 3 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072136750 562728151 /nfs/dbraw/zinc/72/81/51/562728151.db2.gz ZOEFKOJLUANBOE-HQPLKVBUSA-N 1 0 714.058 6.528 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138125 562728662 /nfs/dbraw/zinc/72/86/62/562728662.db2.gz DXNHWVNJBJSZGC-BURCIIJTSA-N 1 0 541.692 5.041 3 0 KKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000072141398 562729372 /nfs/dbraw/zinc/72/93/72/562729372.db2.gz RBEJTLCACQCGRS-AREMUKBSSA-N 1 0 532.899 6.347 3 0 KKAFRO O=C(NC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)c1ccccc1C(F)(F)F ZINC000072142626 562729556 /nfs/dbraw/zinc/72/95/56/562729556.db2.gz MPXDLKZXTLQOEJ-QHCPKHFHSA-N 1 0 507.478 6.103 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)cn1 ZINC000072147612 562729761 /nfs/dbraw/zinc/72/97/61/562729761.db2.gz JDFZHZWLKIKACK-IZLXSDGUSA-N 1 0 685.599 7.364 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CCNC(=O)COC(C)(C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147662 562729779 /nfs/dbraw/zinc/72/97/79/562729779.db2.gz OBOZEGCBQIGQOO-ZWXJPIIXSA-N 1 0 745.188 7.771 1 0 KKAFRO COc1cccc(C[NH2+]C[C@H](Cc2ccccc2)n2cc(-c3cc(C(=O)N[C@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)nn2)c1 ZINC000072176269 562731545 /nfs/dbraw/zinc/73/15/45/562731545.db2.gz SYQOYHREUKLDAM-NYFMKLKXSA-N 1 0 652.821 5.414 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[N@H+](C)CC4)cc3OC(F)(F)F)nc1-2 ZINC000072179724 562732397 /nfs/dbraw/zinc/73/23/97/562732397.db2.gz LTJCDVIZSPUSDR-UHFFFAOYSA-N 1 0 676.744 5.773 1 0 KKAFRO Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000072181232 562732664 /nfs/dbraw/zinc/73/26/64/562732664.db2.gz LEOYSIFOGSUSDO-ZSLRJWJGSA-N 1 0 641.621 5.754 1 0 KKAFRO C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072183322 562732873 /nfs/dbraw/zinc/73/28/73/562732873.db2.gz GFGWSTWJMPPEJB-PGRDOPGGSA-N 1 0 557.497 6.617 1 0 KKAFRO C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072183323 562732898 /nfs/dbraw/zinc/73/28/98/562732898.db2.gz GFGWSTWJMPPEJB-XMSQKQJNSA-N 1 0 557.497 6.617 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073158483 562733946 /nfs/dbraw/zinc/73/39/46/562733946.db2.gz DQESZDBSRSSEES-UHFFFAOYSA-N 1 0 616.187 8.066 1 0 KKAFRO O=S(=O)(Nc1cc(-c2ccc3[nH+]ccc(N4CCN(Cc5ccncc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073159002 562733993 /nfs/dbraw/zinc/73/39/93/562733993.db2.gz GHYIOUMBYNIERQ-UHFFFAOYSA-N 1 0 589.096 5.607 1 0 KKAFRO C[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000073163664 562734215 /nfs/dbraw/zinc/73/42/15/562734215.db2.gz GXKYDEUTDIYZST-UHFFFAOYSA-N 1 0 516.831 7.111 1 0 KKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)[NH2+]C2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000073196024 562735008 /nfs/dbraw/zinc/73/50/08/562735008.db2.gz JIILPKNLHUAGJM-HUAPXDAXSA-N 1 0 525.615 5.514 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000073197655 562735437 /nfs/dbraw/zinc/73/54/37/562735437.db2.gz YSVMMPOFNJLWKA-SXOMAYOGSA-N 1 0 559.106 5.964 1 0 KKAFRO Cn1c2cc(Oc3ccnc(-c4c[nH]c(C(F)(F)F)n4)c3)ccc2[nH+]c1Nc1ccc(C(F)(F)F)cc1 ZINC000073200190 562736085 /nfs/dbraw/zinc/73/60/85/562736085.db2.gz HRCJMYWMDPFSHS-UHFFFAOYSA-N 1 0 518.421 6.932 1 0 KKAFRO O=C([C@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C[C@@H]1c1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000073220599 562736232 /nfs/dbraw/zinc/73/62/32/562736232.db2.gz ACVQDOWULDOCRR-KWXIBIRDSA-N 1 0 614.053 6.829 1 0 KKAFRO COc1ccc(-c2nn(CCC[NH+]3CCC(c4cccc(NC(C)=O)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000073220917 562736292 /nfs/dbraw/zinc/73/62/92/562736292.db2.gz MRGUCGVPMUDWRA-UHFFFAOYSA-N 1 0 510.638 5.300 1 0 KKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1ccc(NC(=O)Nc2cccc(F)c2)c(F)c1 ZINC000073222500 562736383 /nfs/dbraw/zinc/73/63/83/562736383.db2.gz GXGHCRWDNOOYEU-UHFFFAOYSA-N 1 0 548.594 6.025 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ncc(Br)s4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224170 562736618 /nfs/dbraw/zinc/73/66/18/562736618.db2.gz YQLBBZGURBVWMP-OLOOCYQZSA-N 1 0 589.625 5.928 1 0 KKAFRO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1ccc(C[NH2+]CCS(C)(=O)=O)cc1 ZINC000073240401 562736859 /nfs/dbraw/zinc/73/68/59/562736859.db2.gz BLLJPLGCOYWICB-ZRDIBKRKSA-N 1 0 581.113 6.205 1 0 KKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2cnccc23)cc1 ZINC000073275867 562737310 /nfs/dbraw/zinc/73/73/10/562737310.db2.gz UZOKWTAIZMGZBS-HSZRJFAPSA-N 1 0 509.355 6.898 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000073279983 562737432 /nfs/dbraw/zinc/73/74/32/562737432.db2.gz PNYWSRFQQRUDKN-BHVANESWSA-N 1 0 615.884 6.032 1 0 KKAFRO CC[N@H+]1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311065 562737866 /nfs/dbraw/zinc/73/78/66/562737866.db2.gz GYGZRRGYBJLWRY-MPADRQKSSA-N 1 0 592.979 6.595 1 0 KKAFRO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1C[NH+]1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)[C@H]2c2ccccc2)CC1 ZINC000082136614 562738934 /nfs/dbraw/zinc/73/89/34/562738934.db2.gz NZJHWWRGRCHXEQ-JGCGQSQUSA-N 1 0 704.756 5.105 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140237 562739424 /nfs/dbraw/zinc/73/94/24/562739424.db2.gz RTTAIAHOSBNNAG-OPAZUUOPSA-N 1 0 706.847 5.568 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140391 562739428 /nfs/dbraw/zinc/73/94/28/562739428.db2.gz CNXQZTWZUOCTHS-YDDGVOGMSA-N 1 0 714.732 5.069 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000082150780 562739837 /nfs/dbraw/zinc/73/98/37/562739837.db2.gz QGSQJIGPZSEBPB-QFIPXVFZSA-N 1 0 582.576 5.770 1 0 KKAFRO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CC[NH2+]C4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082153259 562740171 /nfs/dbraw/zinc/74/01/71/562740171.db2.gz MGRBZGRVJSJPOJ-SSEXGKCCSA-N 1 0 687.068 5.599 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(C[NH2+]CCF)ccc1Cl)C1CC1 ZINC000082154599 562740391 /nfs/dbraw/zinc/74/03/91/562740391.db2.gz PNUVWYMCELWWFF-GDLZYMKVSA-N 1 0 647.113 5.324 1 0 KKAFRO FC(F)(F)CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCC[NH+]3CCCC3)c(c2)C1 ZINC000082157130 562740844 /nfs/dbraw/zinc/74/08/44/562740844.db2.gz TXTVDCLCTLZNTD-OWOJBTEDSA-N 1 0 553.629 6.065 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165074 562741319 /nfs/dbraw/zinc/74/13/19/562741319.db2.gz YPTCVVCGFGDLDX-AFPLUKJUSA-N 1 0 709.852 5.249 1 0 KKAFRO CCN1CC[NH+](C[C@@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164947 562741348 /nfs/dbraw/zinc/74/13/48/562741348.db2.gz ANPQBASXSZBVPK-VBTAUBHQSA-N 1 0 709.852 5.249 1 0 KKAFRO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000082185547 562742295 /nfs/dbraw/zinc/74/22/95/562742295.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 1 0 726.867 7.072 1 0 KKAFRO CCCC[PH](CCCC)(CCCC)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000084466497 562743233 /nfs/dbraw/zinc/74/32/33/562743233.db2.gz SBMXZRWJDYSIJA-BCRBLDSWSA-N 1 0 629.870 8.189 1 0 KKAFRO CCCCCCOc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000084466344 562743264 /nfs/dbraw/zinc/74/32/64/562743264.db2.gz GOORNMPSDKZVPT-WEZIJMHWSA-N 1 0 527.709 7.239 1 0 KKAFRO CCCC[PH](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000084466499 562743267 /nfs/dbraw/zinc/74/32/67/562743267.db2.gz SBMXZRWJDYSIJA-PQQNNWGCSA-N 1 0 629.870 8.189 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(C[NH+]3CCCCC3)[nH]nc21 ZINC000084586597 562743437 /nfs/dbraw/zinc/74/34/37/562743437.db2.gz PFEPJDUULLLNTL-JGCGQSQUSA-N 1 0 607.759 6.185 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(CNc3cc(C)ccn3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084587877 562743529 /nfs/dbraw/zinc/74/35/29/562743529.db2.gz NJXHXZFCLWKLTJ-UHFFFAOYSA-N 1 0 540.152 5.158 1 0 KKAFRO CCN(C(=O)Cc1ccccc1)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596508 562743666 /nfs/dbraw/zinc/74/36/66/562743666.db2.gz ORHGDEJXZIFSHF-UHFFFAOYSA-N 1 0 581.201 5.186 1 0 KKAFRO Cc1cc(F)ccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(C)C)CC(=O)N2 ZINC000084597189 562743925 /nfs/dbraw/zinc/74/39/25/562743925.db2.gz VFIJKLBXXCLTKD-WJOKGBTCSA-N 1 0 572.681 5.126 1 0 KKAFRO COCCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000084597066 562743949 /nfs/dbraw/zinc/74/39/49/562743949.db2.gz LGZMQYLGIALXSF-VHSZZVNMSA-N 1 0 512.110 5.203 1 0 KKAFRO COc1cc(C(=O)N(CC[C@H]2CCC[N@@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000084615744 562744522 /nfs/dbraw/zinc/74/45/22/562744522.db2.gz QUPDLXCNMYTGQL-JBSURENYSA-N 1 0 538.582 5.900 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)nn1-c1ccc(Cl)c(C)c1 ZINC000084616230 562744581 /nfs/dbraw/zinc/74/45/81/562744581.db2.gz BYGBLPYTDRVCQJ-LOSJGSFVSA-N 1 0 556.101 6.036 1 0 KKAFRO COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2nc4ccccc4o2)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000084617659 562744882 /nfs/dbraw/zinc/74/48/82/562744882.db2.gz DQZVPTNJOCBERV-UHFFFAOYSA-N 1 0 559.598 6.354 1 0 KKAFRO O=C(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084619217 562745239 /nfs/dbraw/zinc/74/52/39/562745239.db2.gz BDISLKREUIUNSD-MUUNZHRXSA-N 1 0 641.665 6.987 1 0 KKAFRO CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN3CC[NH2+]CC3)c2)s1 ZINC000084633315 562745714 /nfs/dbraw/zinc/74/57/14/562745714.db2.gz ZLKLPWZVFQYCFB-UHFFFAOYSA-N 1 0 503.594 5.076 1 0 KKAFRO Cc1ccc(/C=C2\C[N@@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652427 562746518 /nfs/dbraw/zinc/74/65/18/562746518.db2.gz SIKRLXCMRFQZMV-GTEABODUSA-N 1 0 627.188 8.863 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)s3)cc2C(F)(F)F)CC1 ZINC000084652991 562746745 /nfs/dbraw/zinc/74/67/45/562746745.db2.gz ANJQPHRFJOPIDE-UHFFFAOYSA-N 1 0 596.679 6.049 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@H]3C[C@](C)([NH3+])C[C@@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084653058 562746748 /nfs/dbraw/zinc/74/67/48/562746748.db2.gz GMOFRPHSPZPTTF-RZIGYZOXSA-N 1 0 531.022 5.869 1 0 KKAFRO C[C@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654619 562747292 /nfs/dbraw/zinc/74/72/92/562747292.db2.gz KPYFHKXGOZSVEX-SFHVURJKSA-N 1 0 534.582 6.317 1 0 KKAFRO COc1c(C(C)(C)C)cc(C(=O)NC[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084669047 562747841 /nfs/dbraw/zinc/74/78/41/562747841.db2.gz GQBISTGDMBIUFI-HHHXNRCGSA-N 1 0 618.853 9.013 1 0 KKAFRO Cc1c(C(=O)N2CCC([NH3+])(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084670520 562748275 /nfs/dbraw/zinc/74/82/75/562748275.db2.gz GGAOQZJBOLXKMT-UHFFFAOYSA-N 1 0 539.894 6.898 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccccn2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670675 562748381 /nfs/dbraw/zinc/74/83/81/562748381.db2.gz UKJWLARPUVQPQG-IJAHGLKVSA-N 1 0 673.793 5.456 1 0 KKAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC000084672526 562748783 /nfs/dbraw/zinc/74/87/83/562748783.db2.gz BPHSSVHADQDIJG-SSEXGKCCSA-N 1 0 613.828 5.375 1 0 KKAFRO O[C@@](Cn1cncn1)(C[N@H+](CCCOc1ccc(Br)cc1)Cc1ccccc1)c1ccc(F)cc1F ZINC000084706909 562750049 /nfs/dbraw/zinc/75/00/49/562750049.db2.gz YVAARLQPHDLJTB-HHHXNRCGSA-N 1 0 557.439 5.178 1 0 KKAFRO COc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1 ZINC000084710038 562750409 /nfs/dbraw/zinc/75/04/09/562750409.db2.gz LUVGQMIABQYOSC-XIFFEERXSA-N 1 0 558.642 5.719 1 0 KKAFRO COc1ccc(CC[NH2+][C@H](CO)c2cccc(COc3cccc(C(=O)c4ccc(Cl)cc4)c3)c2)cc1 ZINC000084759391 562752907 /nfs/dbraw/zinc/75/29/07/562752907.db2.gz FWKYIIDJKXDFRJ-SSEXGKCCSA-N 1 0 516.037 6.024 1 0 KKAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084759516 562753004 /nfs/dbraw/zinc/75/30/04/562753004.db2.gz UFTNQLWBDGPHQT-FYQCMVGJSA-N 1 0 532.010 5.264 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2 ZINC000088260758 562753484 /nfs/dbraw/zinc/75/34/84/562753484.db2.gz GDLSQNRDPMUWOH-SQHAQQRYSA-N 1 0 537.553 5.439 1 0 KKAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)O[C@H](C)OC(=O)OC1CCCCC1)(C(=O)O[C@H](C)OC(=O)OC1CCCCC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000095536524 562753941 /nfs/dbraw/zinc/75/39/41/562753941.db2.gz NADASEUHARIBQY-HSFWNXDSSA-N 1 0 762.249 6.812 1 0 KKAFRO COc1ccc([C@@]2(CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095541730 562756285 /nfs/dbraw/zinc/75/62/85/562756285.db2.gz IPQSEKMUUNQIQD-SJARJILFSA-N 1 0 764.895 7.036 1 0 KKAFRO CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCC(C)(C)[NH3+])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000095543534 562757346 /nfs/dbraw/zinc/75/73/46/562757346.db2.gz XAOUUEWENBRREJ-XFCANUNOSA-N 1 0 763.929 5.754 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC ZINC000095545705 562758191 /nfs/dbraw/zinc/75/81/91/562758191.db2.gz BEYBSSSCFNIKNG-HUESYALOSA-N 1 0 772.840 8.037 1 0 KKAFRO COCCOCCOCCOc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095548702 562759396 /nfs/dbraw/zinc/75/93/96/562759396.db2.gz WWDLQJMCKHQUJJ-UHFFFAOYSA-N 1 0 776.887 6.194 1 0 KKAFRO C[C@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548852 562759568 /nfs/dbraw/zinc/75/95/68/562759568.db2.gz LSIFUWIWPRWHMV-HIYYHRCFSA-N 1 0 778.844 6.372 1 0 KKAFRO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc3c(=O)cc(CCc4cccc(F)c4F)n(CC(=O)N(C)Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3n2)cc1 ZINC000095549146 562759777 /nfs/dbraw/zinc/75/97/77/562759777.db2.gz NEYXJVNPYRXVSK-LJAQVGFWSA-N 1 0 764.839 9.456 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095551836 562760489 /nfs/dbraw/zinc/76/04/89/562760489.db2.gz BAYAMVGEQHTJCW-UHFFFAOYSA-N 1 0 744.805 7.818 1 0 KKAFRO Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CC[NH+](CC2CCCCC2)CC1 ZINC000095554216 562761184 /nfs/dbraw/zinc/76/11/84/562761184.db2.gz RAVPLJOTQVFFEC-UHFFFAOYSA-N 1 0 573.561 5.733 1 0 KKAFRO Cc1ccccc1COc1cc(OCc2ccccc2C)cc(-c2cc(=O)c3ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc3o2)c1 ZINC000095555536 562761534 /nfs/dbraw/zinc/76/15/34/562761534.db2.gz RWIJYPXJSJRSPE-PMERELPUSA-N 1 0 607.747 7.363 1 0 KKAFRO CCCCc1sc(-c2ccc(OCC[NH+]3CCCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560911 562763202 /nfs/dbraw/zinc/76/32/02/562763202.db2.gz QCFZMUUIFZELKZ-UHFFFAOYSA-N 1 0 533.137 8.740 1 0 KKAFRO CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000095562126 562763579 /nfs/dbraw/zinc/76/35/79/562763579.db2.gz NNBNYIRKIWKPQO-XMMPIXPASA-N 1 0 561.191 9.376 1 0 KKAFRO CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000095562372 562763669 /nfs/dbraw/zinc/76/36/69/562763669.db2.gz FDQHNDVVDQCJSB-DEOSSOPVSA-N 1 0 561.191 9.376 1 0 KKAFRO CCCCc1sc(-c2ccc(OCC[NH+](CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563277 562763905 /nfs/dbraw/zinc/76/39/05/562763905.db2.gz NZLRVXZNZQOKRA-UHFFFAOYSA-N 1 0 535.153 8.986 1 0 KKAFRO CC[NH+]1CCC(Cc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 ZINC000095563488 562763984 /nfs/dbraw/zinc/76/39/84/562763984.db2.gz NCPGPVUTWKUPPM-UHFFFAOYSA-N 1 0 504.635 5.538 1 0 KKAFRO CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)NC1C[NH2+]C1)C4(C)C ZINC000095563468 562763992 /nfs/dbraw/zinc/76/39/92/562763992.db2.gz PZRSYQIWDUXCHJ-XMYDETRWSA-N 1 0 629.883 5.247 1 0 KKAFRO 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)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095565253 562764594 /nfs/dbraw/zinc/76/45/94/562764594.db2.gz APSCYXRJDHETQP-GYONXWSNSA-N 1 0 729.702 7.294 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095566297 562764835 /nfs/dbraw/zinc/76/48/35/562764835.db2.gz QMWRRMYICQUONI-DOBRQBTGSA-N 1 0 627.807 5.435 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566424 562764949 /nfs/dbraw/zinc/76/49/49/562764949.db2.gz JQXCVRFSCSGTFT-IABYTQIASA-N 1 0 634.626 5.384 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566427 562764965 /nfs/dbraw/zinc/76/49/65/562764965.db2.gz URAPLHCKRADHID-UNVFRBQDSA-N 1 0 626.701 5.920 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095566366 562764968 /nfs/dbraw/zinc/76/49/68/562764968.db2.gz BTOKSVPFEBLMIX-DSRMTXSPSA-N 1 0 712.719 6.384 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566579 562765113 /nfs/dbraw/zinc/76/51/13/562765113.db2.gz RAWKXIVYXKZPFJ-FONBTEPMSA-N 1 0 616.656 5.770 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000095566898 562765338 /nfs/dbraw/zinc/76/53/38/562765338.db2.gz IBQRWOHUAXROCR-YRCZKMHPSA-N 1 0 612.010 6.564 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566946 562765371 /nfs/dbraw/zinc/76/53/71/562765371.db2.gz AGQRDMGTSVKJPI-PHVLTXCSSA-N 1 0 599.654 5.025 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567199 562765598 /nfs/dbraw/zinc/76/55/98/562765598.db2.gz DTGXRBNGNVLSQA-YYVZYSLYSA-N 1 0 672.911 7.791 1 0 KKAFRO 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 ZINC000095567477 562765862 /nfs/dbraw/zinc/76/58/62/562765862.db2.gz YPKBHAMQCQAOQB-LSJJIYBBSA-N 1 0 732.804 6.465 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567689 562765957 /nfs/dbraw/zinc/76/59/57/562765957.db2.gz OYNIYJJSCYRIFI-PDOBOUQHSA-N 1 0 666.775 6.133 1 0 KKAFRO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095567719 562766008 /nfs/dbraw/zinc/76/60/08/562766008.db2.gz DHPIXDXHWYRYQT-MKGJDZFWSA-N 1 0 573.738 5.286 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567739 562766016 /nfs/dbraw/zinc/76/60/16/562766016.db2.gz RAWKXIVYXKZPFJ-RLCGNTSFSA-N 1 0 616.656 5.770 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567784 562766069 /nfs/dbraw/zinc/76/60/69/562766069.db2.gz NKYSZIASVRRVQA-XOYPNWLESA-N 1 0 705.900 6.816 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567838 562766130 /nfs/dbraw/zinc/76/61/30/562766130.db2.gz NTYNVBJJDZWMGX-OUDXUNEISA-N 1 0 585.627 5.097 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568213 562766366 /nfs/dbraw/zinc/76/63/66/562766366.db2.gz ORNNHAIJDBYIOA-BNJCFXFUSA-N 1 0 590.592 5.793 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568324 562766478 /nfs/dbraw/zinc/76/64/78/562766478.db2.gz CMAOMNSLQLVSHG-MODXFSQWSA-N 1 0 636.715 5.730 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568329 562766543 /nfs/dbraw/zinc/76/65/43/562766543.db2.gz MSWYKZTXSBUWAM-WISKXVKBSA-N 1 0 646.027 6.761 3 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568391 562766550 /nfs/dbraw/zinc/76/65/50/562766550.db2.gz DTGXRBNGNVLSQA-UERSEFDJSA-N 1 0 672.911 7.791 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568436 562766612 /nfs/dbraw/zinc/76/66/12/562766612.db2.gz GJYWPGQZJRIMRE-SBCJZHDBSA-N 1 0 649.877 5.458 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095568660 562766820 /nfs/dbraw/zinc/76/68/20/562766820.db2.gz LRCXRAHVEGXQLE-DOBRQBTGSA-N 1 0 643.806 5.561 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568936 562767001 /nfs/dbraw/zinc/76/70/01/562767001.db2.gz MXAUBRBUARVCOA-IEOSBIPESA-N 1 0 598.666 5.630 1 0 KKAFRO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095568883 562767022 /nfs/dbraw/zinc/76/70/22/562767022.db2.gz HBIOTSSIAUJKOB-NCLPYWGKSA-N 1 0 588.749 5.290 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095568916 562767034 /nfs/dbraw/zinc/76/70/34/562767034.db2.gz YDGJQJIVZCLABT-KXLVQTRWSA-N 1 0 641.834 5.744 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095569034 562767141 /nfs/dbraw/zinc/76/71/41/562767141.db2.gz ZZFLVVQZHZTAAM-MGXQNUJRSA-N 1 0 666.860 6.367 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569590 562767544 /nfs/dbraw/zinc/76/75/44/562767544.db2.gz CMNGXMPORQTCON-NSTRGFCRSA-N 1 0 629.802 5.149 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569638 562767555 /nfs/dbraw/zinc/76/75/55/562767555.db2.gz RBOAJFBNHJWMOW-CBUCOWSNSA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569808 562767701 /nfs/dbraw/zinc/76/77/01/562767701.db2.gz UBMFRUBMXOVEAJ-HFAAXNRMSA-N 1 0 605.779 5.816 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569955 562767798 /nfs/dbraw/zinc/76/77/98/562767798.db2.gz RZMKFQMJULYPIX-POEUFYPISA-N 1 0 657.833 5.444 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095569965 562767808 /nfs/dbraw/zinc/76/78/08/562767808.db2.gz UEDLRIRBQUSIHX-NOUQMAPCSA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570097 562767921 /nfs/dbraw/zinc/76/79/21/562767921.db2.gz WNMJLARWBKXIKH-PDTNBVABSA-N 1 0 660.840 7.082 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095570285 562768060 /nfs/dbraw/zinc/76/80/60/562768060.db2.gz AHIVZLPYNOMDAU-RLYJWURVSA-N 1 0 608.739 6.475 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095570275 562768090 /nfs/dbraw/zinc/76/80/90/562768090.db2.gz ORNNHAIJDBYIOA-RLCGNTSFSA-N 1 0 590.592 5.793 1 0 KKAFRO 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 ZINC000095570302 562768096 /nfs/dbraw/zinc/76/80/96/562768096.db2.gz CGLNLVFPHXEQAP-VXLXPWSCSA-N 1 0 653.529 7.008 1 0 KKAFRO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570631 562768295 /nfs/dbraw/zinc/76/82/95/562768295.db2.gz GJHPJKJHWVCAHT-GTKRZRNESA-N 1 0 704.022 6.326 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095570819 562768525 /nfs/dbraw/zinc/76/85/25/562768525.db2.gz JUFFYBBKNFKMBH-OVMXQCPESA-N 1 0 627.704 6.041 1 0 KKAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095571125 562768762 /nfs/dbraw/zinc/76/87/62/562768762.db2.gz RFHYGNYQOWNNBL-LFINAOHFSA-N 1 0 736.759 6.730 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095571103 562768772 /nfs/dbraw/zinc/76/87/72/562768772.db2.gz PKQAAOKAAVIVOG-UBWLVADZSA-N 1 0 694.789 5.246 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095571230 562768867 /nfs/dbraw/zinc/76/88/67/562768867.db2.gz IGUFQSLVAOYZBL-IKTKBOKFSA-N 1 0 650.742 5.659 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571248 562768918 /nfs/dbraw/zinc/76/89/18/562768918.db2.gz BTKKALCSURFCKW-DUELTEGESA-N 1 0 633.733 5.096 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571333 562768961 /nfs/dbraw/zinc/76/89/61/562768961.db2.gz ZVHZCYJHGRNXGN-AFKLWXAFSA-N 1 0 590.790 5.795 1 0 KKAFRO CC[NH+](CC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000095573366 562769686 /nfs/dbraw/zinc/76/96/86/562769686.db2.gz YFDRYCDHDMZGBD-UHFFFAOYSA-N 1 0 507.465 7.582 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5cccc(C(=O)Nc6ccc(Cl)cc6)c5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095574448 562769975 /nfs/dbraw/zinc/76/99/75/562769975.db2.gz RQHGBBZPUPNVMV-UHFFFAOYSA-N 1 0 622.177 7.086 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(Br)cc5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095574540 562770020 /nfs/dbraw/zinc/77/00/20/562770020.db2.gz UOHSMAGUHRQBDM-UHFFFAOYSA-N 1 0 547.505 5.943 1 0 KKAFRO Cc1c(Cl)c(Cl)ccc1OC1CC[NH+](CC2CC[NH+]([C@@H](Cc3ccccc3)C(=O)[O-])CC2)CC1 ZINC000095576237 562770593 /nfs/dbraw/zinc/77/05/93/562770593.db2.gz MYZGZNJBQOQRTJ-DEOSSOPVSA-N 1 0 505.486 5.553 1 0 KKAFRO C[NH+](C)[C@H]1CCN([C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095576493 562770669 /nfs/dbraw/zinc/77/06/69/562770669.db2.gz SRNWDHOEWQLILF-DLDYEWSSSA-N 1 0 551.613 5.255 1 0 KKAFRO Cc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000095576749 562770722 /nfs/dbraw/zinc/77/07/22/562770722.db2.gz QLGIWKYNMSCERQ-SANMLTNESA-N 1 0 505.486 5.553 1 0 KKAFRO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095577473 562770967 /nfs/dbraw/zinc/77/09/67/562770967.db2.gz WMNYPMGMKRSEED-RBISFHTESA-N 1 0 524.662 5.003 1 0 KKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)CCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095578599 562771291 /nfs/dbraw/zinc/77/12/91/562771291.db2.gz IJYIYBWQZQDHRW-JJVQHPENSA-N 1 0 579.096 6.210 1 0 KKAFRO Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095587710 562774385 /nfs/dbraw/zinc/77/43/85/562774385.db2.gz CTKVSMROPKAEKU-UHFFFAOYSA-N 1 0 625.260 11.027 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2ccccc2F)c1 ZINC000095587699 562774388 /nfs/dbraw/zinc/77/43/88/562774388.db2.gz XTAVWKFMMRNGPN-XZWHSSHBSA-N 1 0 547.715 5.315 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000095589651 562775000 /nfs/dbraw/zinc/77/50/00/562775000.db2.gz AKAMCNVSSDZPIJ-UHFFFAOYSA-N 1 0 527.624 6.499 1 0 KKAFRO COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095590782 562775361 /nfs/dbraw/zinc/77/53/61/562775361.db2.gz MEJZLMLSAGYUBR-RPWUZVMVSA-N 1 0 573.719 5.037 1 0 KKAFRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000095591240 562775582 /nfs/dbraw/zinc/77/55/82/562775582.db2.gz OASBKDULVGLJEP-UHFFFAOYSA-N 1 0 587.676 6.516 1 0 KKAFRO CC[NH+](CC)CC[C@@H](C)COc1c(I)cc(I)c2cccnc21 ZINC000095594396 562776448 /nfs/dbraw/zinc/77/64/48/562776448.db2.gz DXAQCASUGRSAKF-CYBMUJFWSA-N 1 0 538.211 5.191 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095598854 562777612 /nfs/dbraw/zinc/77/76/12/562777612.db2.gz FIGGLCUVZRSRTI-YHPNNPEYSA-N 1 0 735.926 6.870 1 0 KKAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095599031 562777707 /nfs/dbraw/zinc/77/77/07/562777707.db2.gz YUYBEPSVBUXRNH-LVDDARDMSA-N 1 0 715.719 7.574 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599089 562777767 /nfs/dbraw/zinc/77/77/67/562777767.db2.gz RBOAJFBNHJWMOW-CYCDCDHJSA-N 1 0 684.800 7.277 1 0 KKAFRO 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 ZINC000095599223 562777856 /nfs/dbraw/zinc/77/78/56/562777856.db2.gz FDDMFJKLVOMWML-ZXRNXFTDSA-N 1 0 703.683 7.704 1 0 KKAFRO 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(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599221 562777897 /nfs/dbraw/zinc/77/78/97/562777897.db2.gz VEYXNSARLJIJRR-CBUCOWSNSA-N 1 0 684.800 7.277 1 0 KKAFRO CCC[N@H+](C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095599374 562777976 /nfs/dbraw/zinc/77/79/76/562777976.db2.gz DPWBPPWCHVQSHF-SFOWLQBLSA-N 1 0 553.744 5.076 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095599620 562778206 /nfs/dbraw/zinc/77/82/06/562778206.db2.gz DVNKZOFDASKPOO-OKUKWLBTSA-N 1 0 806.426 6.903 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095599719 562778287 /nfs/dbraw/zinc/77/82/87/562778287.db2.gz UQRVVYXDOOLUAO-FXRKCPOXSA-N 1 0 723.830 6.573 1 0 KKAFRO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095599785 562778353 /nfs/dbraw/zinc/77/83/53/562778353.db2.gz RQWZPZKMXFSKNS-FUMQJTLXSA-N 1 0 603.642 5.306 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600005 562778473 /nfs/dbraw/zinc/77/84/73/562778473.db2.gz UQRVVYXDOOLUAO-IUVSGJEMSA-N 1 0 723.830 6.573 1 0 KKAFRO COc1ccc(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 ZINC000095600438 562778935 /nfs/dbraw/zinc/77/89/35/562778935.db2.gz LFZLAWVTNRSJHJ-MEOLXUPJSA-N 1 0 735.866 6.442 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778955 /nfs/dbraw/zinc/77/89/55/562778955.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N 1 0 620.599 5.075 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095600529 562778977 /nfs/dbraw/zinc/77/89/77/562778977.db2.gz UQRVVYXDOOLUAO-OJQFFXEZSA-N 1 0 723.830 6.573 1 0 KKAFRO COc1ccc(NC(=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)O3)cc1 ZINC000095600643 562779122 /nfs/dbraw/zinc/77/91/22/562779122.db2.gz JRHQODKPGBTKIY-HNMNOHOESA-N 1 0 614.665 5.710 1 0 KKAFRO 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 ZINC000095600914 562779296 /nfs/dbraw/zinc/77/92/96/562779296.db2.gz ZBBNPLMVFVREHD-WKOYJDCPSA-N 1 0 719.867 6.742 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095601349 562779591 /nfs/dbraw/zinc/77/95/91/562779591.db2.gz CHFYKRHHVBHPRB-BEAGFIRGSA-N 1 0 685.693 7.565 1 0 KKAFRO 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)c3ccc(Cl)cc3)cc2C1=O ZINC000095601343 562779598 /nfs/dbraw/zinc/77/95/98/562779598.db2.gz ORTMWWQHMCADOR-HOPFVHLTSA-N 1 0 741.178 7.375 1 0 KKAFRO 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YULBNWHGLGHOLZ-UELVPYHFSA-N 1 0 820.981 5.291 1 0 KKAFRO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000095613109 562786047 /nfs/dbraw/zinc/78/60/47/562786047.db2.gz SWTISRNMYPIMHN-XFKFVYQCSA-N 1 0 785.908 6.681 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)[C@@H]3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 ZINC000095613111 562786086 /nfs/dbraw/zinc/78/60/86/562786086.db2.gz RLNPOKFCWGHIDM-AUTLPZPGSA-N 1 0 738.798 8.556 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(F)cc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095615711 562787465 /nfs/dbraw/zinc/78/74/65/562787465.db2.gz TVIBCPGYRYBVCM-JTTJSRJUSA-N 1 0 763.867 5.878 1 0 KKAFRO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670200 562788272 /nfs/dbraw/zinc/78/82/72/562788272.db2.gz DPSGNGUIODYZLY-IGKIAQTJSA-N 1 0 501.545 5.790 1 0 KKAFRO 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562789326 /nfs/dbraw/zinc/78/93/26/562789326.db2.gz KHFPDWFEACXBKS-XUKQSAIQSA-N 1 0 678.251 6.214 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095834881 562789381 /nfs/dbraw/zinc/78/93/81/562789381.db2.gz IVGISJLMDFIDFY-LGVUCKNBSA-N 1 0 590.687 6.082 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095846433 562789498 /nfs/dbraw/zinc/78/94/98/562789498.db2.gz GMYAYTAKTSTYEI-LLTQPOKBSA-N 1 0 608.702 5.707 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868104 562789893 /nfs/dbraw/zinc/78/98/93/562789893.db2.gz ZWEDFXZUTGJBMW-HFZPWKHCSA-N 1 0 593.690 6.354 1 0 KKAFRO CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169880 562790892 /nfs/dbraw/zinc/79/08/92/562790892.db2.gz SSSVXQMBQCBGKP-UHFFFAOYSA-N 1 0 580.655 5.682 1 0 KKAFRO CN(C)C(=O)C[NH+]1CCC(c2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2)CC1 ZINC000096169830 562790903 /nfs/dbraw/zinc/79/09/03/562790903.db2.gz SKQPVXQMFIJNBQ-UHFFFAOYSA-N 1 0 602.608 6.070 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cn3)c3nccnc23)c1Cl ZINC000096173397 562791393 /nfs/dbraw/zinc/79/13/93/562791393.db2.gz ZSKIUSPECDZDLN-UHFFFAOYSA-N 1 0 567.477 5.016 1 0 KKAFRO c1ccc(CC[NH+]2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174027 562791571 /nfs/dbraw/zinc/79/15/71/562791571.db2.gz ZOGYRRQDJUSCJU-UHFFFAOYSA-N 1 0 513.649 5.414 1 0 KKAFRO O=S(=O)(NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccccc1F ZINC000096174080 562791636 /nfs/dbraw/zinc/79/16/36/562791636.db2.gz WFQJAKYCRXLZDE-UHFFFAOYSA-N 1 0 581.677 5.135 1 0 KKAFRO COc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174083 562791662 /nfs/dbraw/zinc/79/16/62/562791662.db2.gz LPRUTFONNQWESG-UHFFFAOYSA-N 1 0 593.713 5.005 1 0 KKAFRO O=C(NCc1ccccc1Cl)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174106 562791710 /nfs/dbraw/zinc/79/17/10/562791710.db2.gz GTKGYNGMNYAUOK-UHFFFAOYSA-N 1 0 591.119 6.171 1 0 KKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174097 562791714 /nfs/dbraw/zinc/79/17/14/562791714.db2.gz GOHJPBQSZBLARX-UHFFFAOYSA-N 1 0 530.607 6.287 1 0 KKAFRO Cc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174111 562791722 /nfs/dbraw/zinc/79/17/22/562791722.db2.gz PJKCWSWJFKLOHB-UHFFFAOYSA-N 1 0 556.674 6.148 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2cccc(Br)c2)C1C(=O)OCC ZINC000096903981 562798087 /nfs/dbraw/zinc/79/80/87/562798087.db2.gz KGIZQDZWEFGGDO-BUANBSPESA-N 1 0 517.420 5.732 1 0 KKAFRO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@@H]3CCC[NH2+]3)CC1)C2 ZINC000096177894 562792458 /nfs/dbraw/zinc/79/24/58/562792458.db2.gz FJZXXTRWQRVEFX-MHZLTWQESA-N 1 0 696.274 5.285 1 0 KKAFRO COc1cc(C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc2n[nH]cc2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177904 562792470 /nfs/dbraw/zinc/79/24/70/562792470.db2.gz ADMNEDYHMZNODW-SANMLTNESA-N 1 0 647.724 5.442 1 0 KKAFRO Cc1cc(Nc2nc3n[nH]cc3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC000096177902 562792475 /nfs/dbraw/zinc/79/24/75/562792475.db2.gz FOMYVRDUCXUXCK-UHFFFAOYSA-N 1 0 648.834 5.385 1 0 KKAFRO C[NH+](C)CC(C)(C)COc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000096269943 562793095 /nfs/dbraw/zinc/79/30/95/562793095.db2.gz OGPNKYZOKAHRQF-UHFFFAOYSA-N 1 0 508.638 6.921 1 0 KKAFRO Cc1c[nH]c2nc(Nc3cc(C)c(C4CC[NH+](CC(N)=O)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177940 562792515 /nfs/dbraw/zinc/79/25/15/562792515.db2.gz COTWOUOELPAMBR-UHFFFAOYSA-N 1 0 633.819 5.696 1 0 KKAFRO CC[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]nc4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177953 562792518 /nfs/dbraw/zinc/79/25/18/562792518.db2.gz IWJVDVDFZJZBNP-UHFFFAOYSA-N 1 0 592.770 5.712 1 0 KKAFRO C[C@H](C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096269484 562792935 /nfs/dbraw/zinc/79/29/35/562792935.db2.gz QGSCRRBPBVMEHM-SANMLTNESA-N 1 0 642.772 7.789 1 0 KKAFRO O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CCC[NH+]3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096269783 562793018 /nfs/dbraw/zinc/79/30/18/562793018.db2.gz KMGVWPWRRLWZJP-UHFFFAOYSA-N 1 0 716.849 7.956 1 0 KKAFRO C[NH+](C)[C@@H]1CCN(Cc2nnc(Cn3c4c(c(=O)nc3SCc3ccc(F)cc3)CCC4)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000096269794 562793050 /nfs/dbraw/zinc/79/30/50/562793050.db2.gz XHHCPYSOQBLWBI-WJOKGBTCSA-N 1 0 717.837 6.673 1 0 KKAFRO C[C@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270066 562793157 /nfs/dbraw/zinc/79/31/57/562793157.db2.gz JFDHFBUOFZFAPW-QFIPXVFZSA-N 1 0 586.664 6.229 1 0 KKAFRO C[C@@H](C(=O)NCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1ccc(-c2ccc(OCCO[N+](=O)[O-])cc2)c(F)c1 ZINC000096270067 562793160 /nfs/dbraw/zinc/79/31/60/562793160.db2.gz JFDHFBUOFZFAPW-JOCHJYFZSA-N 1 0 586.664 6.229 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3ccccc3c2=O)cc1F ZINC000096270743 562793335 /nfs/dbraw/zinc/79/33/35/562793335.db2.gz LJBKLMNKABTRLH-UHFFFAOYSA-N 1 0 742.635 8.688 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1F ZINC000096270757 562793342 /nfs/dbraw/zinc/79/33/42/562793342.db2.gz RIJAXDHUBFBQQH-UHFFFAOYSA-N 1 0 741.742 8.400 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c3ccccc3c2=O)cc1F ZINC000096270763 562793346 /nfs/dbraw/zinc/79/33/46/562793346.db2.gz NCZHZMPXMHJOKE-UHFFFAOYSA-N 1 0 741.742 8.400 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c3ccccc3c2=O)cc1F ZINC000096270748 562793353 /nfs/dbraw/zinc/79/33/53/562793353.db2.gz MSITUNSZTDTYHG-UHFFFAOYSA-N 1 0 766.668 8.390 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc3c2=O)cc1F ZINC000096270756 562793366 /nfs/dbraw/zinc/79/33/66/562793366.db2.gz ZVBZTMFYJLZTIL-UHFFFAOYSA-N 1 0 705.762 7.766 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(F)cc32)cc1F ZINC000096271512 562793798 /nfs/dbraw/zinc/79/37/98/562793798.db2.gz VODLZXJWEDNALT-UHFFFAOYSA-N 1 0 723.220 9.936 1 0 KKAFRO C[NH+]1CCN(CCOc2ccc(-c3cc4c(ncnc4NCCc4ccc(NC(=O)Nc5ccccc5)cc4)o3)cc2)CC1 ZINC000096272621 562794180 /nfs/dbraw/zinc/79/41/80/562794180.db2.gz PRBZWJDAVYGYMK-UHFFFAOYSA-N 1 0 591.716 5.815 1 0 KKAFRO CC[NH+]1CCC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096272774 562794195 /nfs/dbraw/zinc/79/41/95/562794195.db2.gz AZXPDNLEMGQMQS-UHFFFAOYSA-N 1 0 586.202 7.094 1 0 KKAFRO C[C@@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)c(F)cc(F)c1Cl ZINC000096273090 562794431 /nfs/dbraw/zinc/79/44/31/562794431.db2.gz DHPPBOUXQKKIGF-LLVKDONJSA-N 1 0 508.356 5.923 1 0 KKAFRO C[NH+](C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1 ZINC000096282443 562794660 /nfs/dbraw/zinc/79/46/60/562794660.db2.gz LLZQBQNEWUCTIB-UHFFFAOYSA-N 1 0 569.327 7.104 1 0 KKAFRO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1CC[NH+](C)C ZINC000096282450 562794679 /nfs/dbraw/zinc/79/46/79/562794679.db2.gz RDXAZCCVZGDXAE-UHFFFAOYSA-N 1 0 532.468 6.010 1 0 KKAFRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2 ZINC000096284309 562795075 /nfs/dbraw/zinc/79/50/75/562795075.db2.gz CYOPVJNXOHCGAT-CWDLOFLHSA-N 1 0 526.565 7.121 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCc3cc(O)ccc32)C1 ZINC000096284303 562795088 /nfs/dbraw/zinc/79/50/88/562795088.db2.gz LBDDGYXLYQLAQV-PBXXJUDPSA-N 1 0 528.537 6.518 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000096284321 562795137 /nfs/dbraw/zinc/79/51/37/562795137.db2.gz LWEWQRGMLFNAIT-SEIBCYHCSA-N 1 0 542.564 6.908 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096285104 562795417 /nfs/dbraw/zinc/79/54/17/562795417.db2.gz VGMYZLMRKMRCLC-UHFFFAOYSA-N 1 0 606.698 7.744 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096285100 562795433 /nfs/dbraw/zinc/79/54/33/562795433.db2.gz YEGSATWQBXVWBX-UHFFFAOYSA-N 1 0 635.740 6.814 1 0 KKAFRO Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O ZINC000096285350 562795511 /nfs/dbraw/zinc/79/55/11/562795511.db2.gz GLPOBUHYQIRJAI-GIGWZHCTSA-N 1 0 589.184 5.707 1 0 KKAFRO NC(=O)c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 ZINC000096285360 562795529 /nfs/dbraw/zinc/79/55/29/562795529.db2.gz YMWWVNRTXMJCON-YTTGMZPUSA-N 1 0 552.719 6.354 1 0 KKAFRO Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285378 562795588 /nfs/dbraw/zinc/79/55/88/562795588.db2.gz FRBJEUDAEXXYFS-AYWVHJORSA-N 1 0 560.787 5.495 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(F)c2)CC1 ZINC000096285458 562795704 /nfs/dbraw/zinc/79/57/04/562795704.db2.gz WFKZOGGTBBNGQC-PIKZIKFNSA-N 1 0 550.723 5.017 1 0 KKAFRO CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc5ccccc54)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302086 562796288 /nfs/dbraw/zinc/79/62/88/562796288.db2.gz JMOOJQQUXGNGBN-VZIQHIPPSA-N 1 0 610.818 7.180 1 0 KKAFRO COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)N(C)CC4)cc1 ZINC000096900642 562796943 /nfs/dbraw/zinc/79/69/43/562796943.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 1 0 668.787 6.457 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC(c2cccnc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096905085 562798471 /nfs/dbraw/zinc/79/84/71/562798471.db2.gz WJTJNOGJRJYRJN-LVKBLGTMSA-N 1 0 608.635 7.405 1 0 KKAFRO C[C@](O)(CCC[NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096906801 562798860 /nfs/dbraw/zinc/79/88/60/562798860.db2.gz DAORJBXTGMLMEN-MIDLQUATSA-N 1 0 583.854 6.095 1 0 KKAFRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096907627 562799146 /nfs/dbraw/zinc/79/91/46/562799146.db2.gz KEYURLVMZNLPOF-GOSISDBHSA-N 1 0 527.509 5.811 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907741 562799205 /nfs/dbraw/zinc/79/92/05/562799205.db2.gz DUMWFMFWWQGRCL-HTOJEEBVSA-N 1 0 664.644 7.035 1 0 KKAFRO C[NH+](C)[C@H]1CCN(Cc2nnc(Cn3c4c(c(=O)nc3SCc3ccc(F)cc3)CCC4)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000096909363 562799568 /nfs/dbraw/zinc/79/95/68/562799568.db2.gz XHHCPYSOQBLWBI-HKBQPEDESA-N 1 0 717.837 6.673 1 0 KKAFRO CC(C)[C@@H](C[N@@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2O)c(Cl)c1 ZINC000096909590 562799639 /nfs/dbraw/zinc/79/96/39/562799639.db2.gz OBQLXRWCAJNTDR-NBGIEHNGSA-N 1 0 524.061 5.509 1 0 KKAFRO C/C=C/[C@H]1C(C(=O)c2c(O)c(-c3ccc(OC(=O)CCCC[NH3+])cc3)c[nH]c2=O)=CC(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910157 562799871 /nfs/dbraw/zinc/79/98/71/562799871.db2.gz SJMIFNFZKUPIPJ-RZRQWZGESA-N 1 0 532.681 5.785 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H]([NH2+]CCCn5ccnc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096916604 562801281 /nfs/dbraw/zinc/80/12/81/562801281.db2.gz YQGTUXQZXKSQEQ-FMXUJUTNSA-N 1 0 509.823 7.532 1 0 KKAFRO COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c3cc(F)ccc3n2)cc1 ZINC000096927168 562802597 /nfs/dbraw/zinc/80/25/97/562802597.db2.gz MRZXKRZICOTLCN-UHFFFAOYSA-N 1 0 704.774 9.045 1 0 KKAFRO Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccc(N(C)C)cc45)cc3)cc2)nc(N)n1 ZINC000096927668 562802665 /nfs/dbraw/zinc/80/26/65/562802665.db2.gz RYKZNTSPBNUUQR-UHFFFAOYSA-N 1 0 504.598 5.721 1 0 KKAFRO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000096928323 562802906 /nfs/dbraw/zinc/80/29/06/562802906.db2.gz LGRVXYADPSWNIY-RGNKTVKFSA-N 1 0 572.084 7.127 1 0 KKAFRO COc1cccc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2-c2nnc(SC(C)C)n2-c2ccccc2)c1 ZINC000096933345 562803594 /nfs/dbraw/zinc/80/35/94/562803594.db2.gz SEKNLJJJFOCTGP-UHFFFAOYSA-N 1 0 515.658 6.364 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccccc3)n2)cc1F ZINC000096935352 562804064 /nfs/dbraw/zinc/80/40/64/562804064.db2.gz PLAGZRYIBHPWGO-UHFFFAOYSA-N 1 0 593.659 6.749 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096935350 562804073 /nfs/dbraw/zinc/80/40/73/562804073.db2.gz DAKMWSGHMCQEFB-UHFFFAOYSA-N 1 0 636.728 6.209 1 0 KKAFRO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096937798 562804340 /nfs/dbraw/zinc/80/43/40/562804340.db2.gz UYSHSAPSTPDDFM-WIOYSNFSSA-N 1 0 542.564 6.821 1 0 KKAFRO CC(C)CCOC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(COC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000096938762 562804585 /nfs/dbraw/zinc/80/45/85/562804585.db2.gz WAKQJHDAXUBNOZ-UHFFFAOYSA-N 1 0 594.752 7.363 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccccc1 ZINC000096939392 562804774 /nfs/dbraw/zinc/80/47/74/562804774.db2.gz QFIJRPPWZAIMLZ-AREMUKBSSA-N 1 0 565.061 5.434 1 0 KKAFRO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000096940357 562804963 /nfs/dbraw/zinc/80/49/63/562804963.db2.gz WJQDRJWYSCYVJO-UHFFFAOYSA-N 1 0 582.824 7.123 1 0 KKAFRO O=C1[C@H]2[C@@H](C(=O)N1CCC[NH+]1CCN(CCCN3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085233 562805827 /nfs/dbraw/zinc/80/58/27/562805827.db2.gz NIYHRHQXPVSRCC-ZNUXAQOFSA-N 1 0 716.882 5.169 1 0 KKAFRO O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000098207928 562805952 /nfs/dbraw/zinc/80/59/52/562805952.db2.gz WDALFJYWTFDSRP-DIPNUNPCSA-N 1 0 638.816 7.102 1 0 in-vitro KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCc2ccccc2)C(CCCCC)C1C(=O)OCCCc1ccccc1 ZINC000100033955 562806227 /nfs/dbraw/zinc/80/62/27/562806227.db2.gz SRXLAVOHOUQJFM-UFEOWHGLSA-N 1 0 503.683 7.526 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCc2cccnc2)C(CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033908 562806269 /nfs/dbraw/zinc/80/62/69/562806269.db2.gz HUPJSWZOSVBISZ-GKVUBABBSA-N 1 0 505.659 6.316 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)O/C=C/Cc2cccnc2)C(CCCCC)C1C(=O)O/C=C/Cc1cccnc1 ZINC000100034018 562806271 /nfs/dbraw/zinc/80/62/71/562806271.db2.gz BRAPCLOFIYVFNX-LXRONBDKSA-N 1 0 501.627 6.564 1 0 KKAFRO CC(=O)N1CCc2c(ncn2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076341 562806608 /nfs/dbraw/zinc/80/66/08/562806608.db2.gz QDLMLMQOJXBDGX-PKQPGRETSA-N 1 0 540.712 5.393 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000100675975 562807260 /nfs/dbraw/zinc/80/72/60/562807260.db2.gz SYQVCWIHBLUHRD-GDLZYMKVSA-N 1 0 515.569 9.013 1 0 KKAFRO O=C(CCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000100764967 562807805 /nfs/dbraw/zinc/80/78/05/562807805.db2.gz OVMNCJZWQJDRMI-UHFFFAOYSA-N 1 0 502.033 6.430 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000100842333 562808202 /nfs/dbraw/zinc/80/82/02/562808202.db2.gz WJWXIAWSIAEAJJ-MBXDFBHOSA-N 1 0 557.181 5.289 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000101160430 562809558 /nfs/dbraw/zinc/80/95/58/562809558.db2.gz JHNQKQRRXFXQGB-UQWUFBTJSA-N 1 0 521.109 6.660 1 0 KKAFRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)NCc1ccccc1)c1ccccc1 ZINC000101162923 562809609 /nfs/dbraw/zinc/80/96/09/562809609.db2.gz VPFJSJRNUOALOS-KUMHGWDASA-N 1 0 500.691 5.684 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 ZINC000101193224 562809784 /nfs/dbraw/zinc/80/97/84/562809784.db2.gz DTXCHAZBXSLREA-KUMHGWDASA-N 1 0 506.698 5.931 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 ZINC000101193537 562809828 /nfs/dbraw/zinc/80/98/28/562809828.db2.gz ODTAMWROBLPBMJ-YHTXFFTCSA-N 1 0 555.811 7.175 1 0 KKAFRO COC(=O)[C@@H](c1cccc(C)c1C)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809855 /nfs/dbraw/zinc/80/98/55/562809855.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 1 0 604.839 7.468 1 0 KKAFRO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(Cl)cc1 ZINC000101338046 562810365 /nfs/dbraw/zinc/81/03/65/562810365.db2.gz GXEILWZMBSGTIK-XYLBCIRHSA-N 1 0 505.049 5.434 1 0 KKAFRO CN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)c(F)c4)c4c3ncnc4N)CC2)CC1 ZINC000101367499 562810404 /nfs/dbraw/zinc/81/04/04/562810404.db2.gz SKBWQUPLWQUWPH-KDURUIRLSA-N 1 0 576.080 5.484 1 0 KKAFRO CN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367501 562810447 /nfs/dbraw/zinc/81/04/47/562810447.db2.gz DLQXAWIVHRHOQT-OYRHEFFESA-N 1 0 558.090 5.345 1 0 KKAFRO CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CN(Cc1ccccc1)CC3)C2)c1ccccc1 ZINC000101391276 562810501 /nfs/dbraw/zinc/81/05/01/562810501.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 1 0 511.714 5.185 1 0 KKAFRO C[C@H](c1c[nH]c(N)[nH+]1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101460090 562810813 /nfs/dbraw/zinc/81/08/13/562810813.db2.gz LYYMDXNIMMMZLB-NSHDSACASA-N 1 0 530.386 5.404 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624948 562811424 /nfs/dbraw/zinc/81/14/24/562811424.db2.gz KVGVPXHSSHDBTN-MNHGUUTPSA-N 1 0 597.754 6.441 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(C(F)(F)F)cc2F)C3)n1C ZINC000101638895 562811441 /nfs/dbraw/zinc/81/14/41/562811441.db2.gz NWCMUBVTFZOFKO-VBUUOAMHSA-N 1 0 509.573 5.829 1 0 KKAFRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)cc1 ZINC000101696177 562811757 /nfs/dbraw/zinc/81/17/57/562811757.db2.gz ACIIWMUDQXWBMW-UHFFFAOYSA-N 1 0 605.716 6.401 1 0 KKAFRO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696190 562811759 /nfs/dbraw/zinc/81/17/59/562811759.db2.gz YWRRGDPMGAFLLQ-UHFFFAOYSA-N 1 0 610.780 6.019 1 0 KKAFRO CC[NH+](CC)CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696404 562811876 /nfs/dbraw/zinc/81/18/76/562811876.db2.gz FKIFMKYODJFDAI-UHFFFAOYSA-N 1 0 541.673 5.945 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806553 562813342 /nfs/dbraw/zinc/81/33/42/562813342.db2.gz GYWUGKYGQVCSEZ-AKZSVYKISA-N 1 0 641.758 5.706 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3SC=C(C)N3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929155 562813539 /nfs/dbraw/zinc/81/35/39/562813539.db2.gz SOIKWGFTIHYYLR-ODVIPSCOSA-N 1 0 519.667 5.715 1 0 KKAFRO N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCCn2ccnc2)n1-c1ccccc1 ZINC000103165517 562814590 /nfs/dbraw/zinc/81/45/90/562814590.db2.gz UMAKBKWXYPWGMB-UHFFFAOYSA-N 1 0 562.728 6.244 1 0 KKAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000103168466 562814688 /nfs/dbraw/zinc/81/46/88/562814688.db2.gz ZUEUYRLKQVZRTI-UHFFFAOYSA-N 1 0 574.070 5.275 1 0 KKAFRO CNC(=[NH2+])SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176227 562815091 /nfs/dbraw/zinc/81/50/91/562815091.db2.gz IKXCUSHWVFJAIJ-UHFFFAOYSA-N 1 0 574.756 5.886 1 0 KKAFRO CCCN(C(=O)CCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103197641 562815947 /nfs/dbraw/zinc/81/59/47/562815947.db2.gz YGMVKHHAYZQLBJ-WJOKGBTCSA-N 1 0 575.819 5.817 1 0 KKAFRO CCCCC[C@H](C)N(Cc1ccc(CCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000103214755 562816979 /nfs/dbraw/zinc/81/69/79/562816979.db2.gz NCMBHBXJRAKPLQ-SANMLTNESA-N 1 0 577.810 7.580 1 0 KKAFRO NC(=O)[C@]1(c2cc(F)cc(F)n2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225823 562817757 /nfs/dbraw/zinc/81/77/57/562817757.db2.gz DDPAKFQDERXQHD-KQESFQHQSA-N 1 0 502.392 5.806 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227189 562817869 /nfs/dbraw/zinc/81/78/69/562817869.db2.gz SCDVTYVEEOZJQT-ZZXHUEHTSA-N 1 0 528.722 5.665 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+](C)C)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228608 562818021 /nfs/dbraw/zinc/81/80/21/562818021.db2.gz QCJHMHWPIJYHPU-UHFFFAOYSA-N 1 0 521.614 5.557 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3cc(OCC[NH+]4CCCCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228655 562818039 /nfs/dbraw/zinc/81/80/39/562818039.db2.gz AERRHFHIMOWDKU-UHFFFAOYSA-N 1 0 561.679 6.399 1 0 KKAFRO C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229639 562818054 /nfs/dbraw/zinc/81/80/54/562818054.db2.gz IERPSACAQPXIGP-UHFFFAOYSA-N 1 0 547.974 5.178 1 0 KKAFRO COC(=O)N[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229889 562818105 /nfs/dbraw/zinc/81/81/05/562818105.db2.gz QUIALWNBYZWUGD-ISRMLTCMSA-N 1 0 543.922 7.701 1 0 KKAFRO COc1ccc(C2=CSC3=NC4=C(C[NH2+]C/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230167 562818108 /nfs/dbraw/zinc/81/81/08/562818108.db2.gz SXNBYFCNJKLKND-FKCOHSBYSA-N 1 0 532.496 7.401 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000103234001 562818513 /nfs/dbraw/zinc/81/85/13/562818513.db2.gz MRVLFWHAHZIKHJ-GRJQRVBMSA-N 1 0 562.758 7.273 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233997 562818527 /nfs/dbraw/zinc/81/85/27/562818527.db2.gz CWWCVNHXIZBXTP-OUOZDZGXSA-N 1 0 528.741 6.872 1 0 KKAFRO CCN(CCc1ccccc1)C(=O)C1CC[NH+](CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234259 562818626 /nfs/dbraw/zinc/81/86/26/562818626.db2.gz FDXBJSOHXGUIGJ-UHFFFAOYSA-N 1 0 581.201 5.125 1 0 KKAFRO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 ZINC000103234824 562818630 /nfs/dbraw/zinc/81/86/30/562818630.db2.gz GQPFEFJTOGPMSY-RLPLKTQASA-N 1 0 524.753 6.653 1 0 KKAFRO C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103236684 562818909 /nfs/dbraw/zinc/81/89/09/562818909.db2.gz HZLKQILBSBUCFK-QOAWAWRESA-N 1 0 540.592 7.514 1 0 KKAFRO F[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000103237128 562818939 /nfs/dbraw/zinc/81/89/39/562818939.db2.gz FBWBPFFZPJJSGX-JOCHJYFZSA-N 1 0 565.369 6.856 1 0 KKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000103239105 562819287 /nfs/dbraw/zinc/81/92/87/562819287.db2.gz WVPLACJWBZEWJI-UHFFFAOYSA-N 1 0 550.537 6.680 1 0 KKAFRO CCC[N@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(OC2CCCC2)cc1 ZINC000103239351 562819329 /nfs/dbraw/zinc/81/93/29/562819329.db2.gz IMVYQCSGVSLZOP-UHFFFAOYSA-N 1 0 548.749 6.395 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cnc32)[C@H]1c1cccc(Cl)c1F ZINC000103254032 562820599 /nfs/dbraw/zinc/82/05/99/562820599.db2.gz ACHCLOSSNAELCR-CMWYWCLMSA-N 1 0 614.505 5.024 1 0 KKAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103253991 562820603 /nfs/dbraw/zinc/82/06/03/562820603.db2.gz UOVSZRTTWLJPHE-RPMQLHGRSA-N 1 0 619.546 5.691 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000103257187 562820894 /nfs/dbraw/zinc/82/08/94/562820894.db2.gz BQMRCUPRQBJGIK-NDEPHWFRSA-N 1 0 534.722 5.444 1 0 KKAFRO O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000103261486 562821387 /nfs/dbraw/zinc/82/13/87/562821387.db2.gz BXWNFSDIKPXQSG-NDEPHWFRSA-N 1 0 530.635 5.243 1 0 KKAFRO O=C(Nc1noc2ccccc21)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263326 562821732 /nfs/dbraw/zinc/82/17/32/562821732.db2.gz BZKUDBFTXWDLNZ-UHFFFAOYSA-N 1 0 503.002 6.403 1 0 KKAFRO Cc1ccc(C[NH+](CCO)CCO)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264971 562822079 /nfs/dbraw/zinc/82/20/79/562822079.db2.gz HOLAFAKATHLDDJ-UHFFFAOYSA-N 1 0 595.622 5.442 1 0 KKAFRO CC[C@H]1CN(c2ncc(-c3ncon3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266158 562822213 /nfs/dbraw/zinc/82/22/13/562822213.db2.gz BDSGFLHMKUKCCT-FQEVSTJZSA-N 1 0 519.452 5.143 1 0 KKAFRO Cc1cc([C@@H](NC(=O)[C@@H]2CC[C@@H]([NH+]3CCOCC3)C[C@H]2c2ccc(Br)cc2)c2ccc(Cl)cc2)ccn1 ZINC000103283336 562823656 /nfs/dbraw/zinc/82/36/56/562823656.db2.gz UGTLPOPMRFSDFF-GKQHHHCTSA-N 1 0 582.970 6.296 1 0 KKAFRO CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1 ZINC000103283313 562823692 /nfs/dbraw/zinc/82/36/92/562823692.db2.gz JMSGNVAFJFRXTL-NLDZOOGBSA-N 1 0 612.559 6.343 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(C)cc1 ZINC000103287571 562823922 /nfs/dbraw/zinc/82/39/22/562823922.db2.gz KIYGHDGSPYFSTP-UUWRZZSWSA-N 1 0 577.769 5.991 1 0 KKAFRO CC[N@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000103297196 562824598 /nfs/dbraw/zinc/82/45/98/562824598.db2.gz ZBXDUDJPTQSVHR-UHFFFAOYSA-N 1 0 553.038 5.893 1 0 KKAFRO OC[C@@H](O)C[N@@H+]1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297272 562824612 /nfs/dbraw/zinc/82/46/12/562824612.db2.gz QZTIHPDSTDDSTG-BDTNDASRSA-N 1 0 505.313 6.442 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2CCCCC(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300080 562824875 /nfs/dbraw/zinc/82/48/75/562824875.db2.gz VBDPGMXTTCNSBN-UHFFFAOYSA-N 1 0 558.698 7.641 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2C(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300066 562824876 /nfs/dbraw/zinc/82/48/76/562824876.db2.gz IQWREYYEOZRNJR-UHFFFAOYSA-N 1 0 502.590 6.277 1 0 KKAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CC[NH2+][C@@H](c2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC000113089178 562826117 /nfs/dbraw/zinc/82/61/17/562826117.db2.gz QFODJIFXXBKMIN-XMMPIXPASA-N 1 0 510.400 5.106 1 0 KKAFRO COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000114037075 562827103 /nfs/dbraw/zinc/82/71/03/562827103.db2.gz UEWITZAKAVQEQW-UHFFFAOYSA-N 1 0 512.031 5.478 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037192 562827180 /nfs/dbraw/zinc/82/71/80/562827180.db2.gz GRTLNJODWXNLKX-FQEVSTJZSA-N 1 0 544.055 5.928 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)C[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000114097507 562827524 /nfs/dbraw/zinc/82/75/24/562827524.db2.gz ASMVRJQSDPPCKK-QGZVFWFLSA-N 1 0 523.457 5.294 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114099291 562827661 /nfs/dbraw/zinc/82/76/61/562827661.db2.gz PRZQQYWZXJSACG-AREMUKBSSA-N 1 0 508.106 6.054 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114100404 562827738 /nfs/dbraw/zinc/82/77/38/562827738.db2.gz CTKUJBLIOZDCKM-HHHXNRCGSA-N 1 0 522.133 6.444 1 0 KKAFRO COc1ccc(C(=O)Nc2cccc([C@H](CC[NH+]3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114348682 562828056 /nfs/dbraw/zinc/82/80/56/562828056.db2.gz QSWPJTLRYDNNBP-MHZLTWQESA-N 1 0 538.652 5.019 1 0 KKAFRO CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@@H]3CC[NH2+]C3)cc2n1Cc1ccccc1 ZINC000114627102 562828408 /nfs/dbraw/zinc/82/84/08/562828408.db2.gz CGDOSNPQJHUARH-HSZRJFAPSA-N 1 0 503.593 5.762 1 0 KKAFRO O=S1(=O)Nc2ccccc2CN1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000114817032 562828463 /nfs/dbraw/zinc/82/84/63/562828463.db2.gz WXEJTNMCWOBBFT-UHFFFAOYSA-N 1 0 511.638 5.514 1 0 KKAFRO COc1cccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000114979909 562828603 /nfs/dbraw/zinc/82/86/03/562828603.db2.gz WFJSSASOIKUMFW-HHHXNRCGSA-N 1 0 527.086 5.015 1 0 KKAFRO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)n(C)c1 ZINC000115853289 562829100 /nfs/dbraw/zinc/82/91/00/562829100.db2.gz HFTNEZGDPAHPNU-UHFFFAOYSA-N 1 0 564.734 5.801 1 0 KKAFRO CC1(C)CCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCC([NH+]6CCCC6)CC5)cn4)nc32)CC1 ZINC000117685242 562829817 /nfs/dbraw/zinc/82/98/17/562829817.db2.gz ILFSSIYANITPEO-UHFFFAOYSA-N 1 0 524.717 6.324 1 0 KKAFRO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCCC4)ccn32)n1 ZINC000117888152 562829959 /nfs/dbraw/zinc/82/99/59/562829959.db2.gz BNZGXMAPYYDKLP-UHFFFAOYSA-N 1 0 535.652 5.040 1 0 KKAFRO Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095778 562830176 /nfs/dbraw/zinc/83/01/76/562830176.db2.gz RZNSXSQJCXKGGP-UHFFFAOYSA-N 1 0 636.744 5.310 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799863 562830731 /nfs/dbraw/zinc/83/07/31/562830731.db2.gz LBHRNHIJVFKNRX-FLGDYYPQSA-N 1 0 533.112 7.361 1 0 KKAFRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]Cc5ccccc5)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000118921496 562831001 /nfs/dbraw/zinc/83/10/01/562831001.db2.gz ALXOQCMPDLIDDN-BPRGTMDCSA-N 1 0 523.758 6.545 1 0 KKAFRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[NH+]3CCCc1ccccc1)C2 ZINC000135799553 562831066 /nfs/dbraw/zinc/83/10/66/562831066.db2.gz XHEDQUWNGKQHNB-NFQPKNNSSA-N 1 0 581.801 5.709 1 0 KKAFRO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138528896 562832030 /nfs/dbraw/zinc/83/20/30/562832030.db2.gz UMVQRVFLSLPAEH-FDFHNCONSA-N 1 0 521.464 5.419 1 0 KKAFRO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000138609867 562832049 /nfs/dbraw/zinc/83/20/49/562832049.db2.gz RXONTSVTWRMLQQ-PFZHYMJCSA-N 1 0 570.605 6.705 1 0 KKAFRO CC(C)[N@@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140192895 562832905 /nfs/dbraw/zinc/83/29/05/562832905.db2.gz ALFABUCBNSTHNO-DAAIBCRRSA-N 1 0 553.691 6.038 1 0 KKAFRO CC(=CC[n+]1cn(C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3cc(Br)c[nH]3)=CCC[C@@H]12 ZINC000140518377 562833131 /nfs/dbraw/zinc/83/31/31/562833131.db2.gz ULTNQKUXFQRXIO-DAYZJRKYSA-O 1 0 610.621 6.291 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1 ZINC000141714754 562833701 /nfs/dbraw/zinc/83/37/01/562833701.db2.gz NYLGUBGOIZXEAH-AZGAKELHSA-N 1 0 540.693 5.182 1 0 KKAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556016 562834236 /nfs/dbraw/zinc/83/42/36/562834236.db2.gz CEZKXCISFFAHCY-IFMALSPDSA-N 1 0 511.496 5.012 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000142868172 562834368 /nfs/dbraw/zinc/83/43/68/562834368.db2.gz PAIXTATZDODEGZ-MHZLTWQESA-N 1 0 517.605 5.896 1 0 KKAFRO [NH3+]C1CCC(Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143491892 562835087 /nfs/dbraw/zinc/83/50/87/562835087.db2.gz ULFKFGDXFGVRHL-UHFFFAOYSA-N 1 0 545.899 5.295 1 0 KKAFRO C[N@@H+]1Cc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)ccc2C(C)(C)C1 ZINC000144111802 562835796 /nfs/dbraw/zinc/83/57/96/562835796.db2.gz FIEFUTLSNLZAGA-UHFFFAOYSA-N 1 0 520.424 5.202 1 0 KKAFRO C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)C5CCCC5)cc43)cc2)CC1 ZINC000145767176 562837586 /nfs/dbraw/zinc/83/75/86/562837586.db2.gz VKUZMCHROLFMPL-MUUNZHRXSA-N 1 0 514.695 6.677 1 0 KKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872372 562838890 /nfs/dbraw/zinc/83/88/90/562838890.db2.gz IYBGHBZUXSMOKI-VBYFIUKGSA-N 1 0 506.650 6.115 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146906466 562838907 /nfs/dbraw/zinc/83/89/07/562838907.db2.gz AEJRFQRMYCKSKQ-NEOZLGHSSA-N 1 0 576.540 5.550 1 0 KKAFRO CO[C@H]1CN(c2nc(-c3c4c(C)n[nH]c4ccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1[NH+](C)C ZINC000146989388 562839021 /nfs/dbraw/zinc/83/90/21/562839021.db2.gz CHAJUOPMJHESDM-VMPREFPWSA-N 1 0 553.755 5.396 1 0 KKAFRO CCN(c1cc(-c2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000147060533 562839051 /nfs/dbraw/zinc/83/90/51/562839051.db2.gz KSWLTLQBXNTQPH-MUUNZHRXSA-N 1 0 574.741 5.446 1 0 KKAFRO CCCCNC(=O)N1CC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147065429 562839133 /nfs/dbraw/zinc/83/91/33/562839133.db2.gz UNMXSYQWFIMBED-IUXWYWOJSA-N 1 0 618.581 5.193 1 0 KKAFRO CCN(CC)C(=O)N1CC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147217979 562839172 /nfs/dbraw/zinc/83/91/72/562839172.db2.gz ANPDJWHIUYONOC-IUXWYWOJSA-N 1 0 618.581 5.145 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4cc[nH+]cc4)CC3)nc12 ZINC000148047854 562839970 /nfs/dbraw/zinc/83/99/70/562839970.db2.gz AZYBEOZRCDOOGK-UHFFFAOYSA-N 1 0 614.636 5.437 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCC[N@H+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148064667 562840081 /nfs/dbraw/zinc/84/00/81/562840081.db2.gz UAJAYUZTLWGQGG-UHFFFAOYSA-N 1 0 587.006 5.238 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCF)nc21 ZINC000148146528 562840304 /nfs/dbraw/zinc/84/03/04/562840304.db2.gz UDQRKTFSPGLRRD-UHFFFAOYSA-N 1 0 585.610 5.122 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)CC3)nc21 ZINC000148161525 562840354 /nfs/dbraw/zinc/84/03/54/562840354.db2.gz VDMOWCPZTCICCY-UHFFFAOYSA-N 1 0 612.632 5.622 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(N(C)CC[NH+](C)C)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148150389 562840365 /nfs/dbraw/zinc/84/03/65/562840365.db2.gz HYDMAOJGEFUZKB-HXUWFJFHSA-N 1 0 623.684 5.189 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(OCC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148165042 562840403 /nfs/dbraw/zinc/84/04/03/562840403.db2.gz NMDHUZLWLBLPEH-UHFFFAOYSA-N 1 0 566.588 5.258 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148168812 562840416 /nfs/dbraw/zinc/84/04/16/562840416.db2.gz OTIPQUMUFWBUBC-UHFFFAOYSA-N 1 0 607.685 5.731 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148168518 562840442 /nfs/dbraw/zinc/84/04/42/562840442.db2.gz QOZDAGUZHMVNOT-UHFFFAOYSA-N 1 0 629.691 6.353 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CCC([NH+](C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148282578 562840855 /nfs/dbraw/zinc/84/08/55/562840855.db2.gz WAYHIFGJCQJJHM-UHFFFAOYSA-N 1 0 584.578 5.113 1 0 KKAFRO COc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N5CC[NH+](C(C)C)CC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148352034 562841153 /nfs/dbraw/zinc/84/11/53/562841153.db2.gz WVCAHTYYGMPTOT-UHFFFAOYSA-N 1 0 580.615 5.282 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccnc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC(C[NH+]4CCCC4)CC3)nc21 ZINC000148375409 562841185 /nfs/dbraw/zinc/84/11/85/562841185.db2.gz ZTWGVJUWYRGKSS-UHFFFAOYSA-N 1 0 579.753 5.729 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC000148606528 562841494 /nfs/dbraw/zinc/84/14/94/562841494.db2.gz YUOQDCRTZDLQDD-QHCPKHFHSA-N 1 0 510.078 5.500 1 0 KKAFRO CC(C)Oc1ccccc1OCCCC[NH+]1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC000148604736 562841501 /nfs/dbraw/zinc/84/15/01/562841501.db2.gz ATBHOQNWZSXLBZ-UHFFFAOYSA-N 1 0 547.721 5.647 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@H+](Cc2cccc3c2CCN3C)C1 ZINC000148607289 562841523 /nfs/dbraw/zinc/84/15/23/562841523.db2.gz LQJLPHKCTDJNTM-QHCPKHFHSA-N 1 0 512.094 5.000 1 0 KKAFRO C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3NC3CCOCC3)c2c1)c1cc(F)cc(F)c1 ZINC000148687049 562841667 /nfs/dbraw/zinc/84/16/67/562841667.db2.gz DPQSQXGBMAXUAP-HXUWFJFHSA-N 1 0 574.676 5.588 1 0 KKAFRO C[C@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1 ZINC000148778824 562841764 /nfs/dbraw/zinc/84/17/64/562841764.db2.gz NNWHHZWGFMXAIM-DNQXCXABSA-N 1 0 513.697 8.124 1 0 KKAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148761432 562841805 /nfs/dbraw/zinc/84/18/05/562841805.db2.gz FXYPQFBJRKMLDS-UHFFFAOYSA-N 1 0 598.132 5.398 1 0 KKAFRO NC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)cc1 ZINC000150255542 562843034 /nfs/dbraw/zinc/84/30/34/562843034.db2.gz HNQPRMOLWVYZNO-UHFFFAOYSA-N 1 0 509.613 6.320 1 0 KKAFRO O=C(c1sc2ccccc2c1Cl)N1C[C@@H]2C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]2C12CC[NH2+]CC2 ZINC000150353081 562843285 /nfs/dbraw/zinc/84/32/85/562843285.db2.gz YOFWXHCWDOJSFS-AZUAARDMSA-N 1 0 630.010 5.972 1 0 KKAFRO COc1ccc(-c2nc(C(=O)N3CC[NH+](CCCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn32)cc1 ZINC000150523293 562843641 /nfs/dbraw/zinc/84/36/41/562843641.db2.gz WSVWUKOWXQBALB-NDEPHWFRSA-N 1 0 664.807 5.736 1 0 KKAFRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546471 562844455 /nfs/dbraw/zinc/84/44/55/562844455.db2.gz UKVWJVFYNZGIGE-UHFFFAOYSA-N 1 0 645.785 6.210 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584703 562845752 /nfs/dbraw/zinc/84/57/52/562845752.db2.gz NVFGXEZAWHBUBK-DYKQPOOOSA-N 1 0 757.877 5.958 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586639 562845877 /nfs/dbraw/zinc/84/58/77/562845877.db2.gz OBYMCAPFENXWIY-PZSMLTKBSA-N 1 0 810.768 7.560 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588311 562845987 /nfs/dbraw/zinc/84/59/87/562845987.db2.gz IZLDOWNQXOSBQR-GOJCVTOHSA-N 1 0 820.774 7.015 1 0 KKAFRO COc1ccc([C@H]2S[C@H](C[NH+]3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588786 562846040 /nfs/dbraw/zinc/84/60/40/562846040.db2.gz POYPFFFZHMNIBL-MMEOBGCCSA-N 1 0 771.904 6.261 1 0 KKAFRO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CCN8CCc9c%10ccccc%10n6c9[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596020 562846615 /nfs/dbraw/zinc/84/66/15/562846615.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 1 0 642.844 7.043 1 0 KKAFRO C[NH+]1CCN(c2cc(F)ccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606251 562847855 /nfs/dbraw/zinc/84/78/55/562847855.db2.gz JQVJIZRMTCKEHP-FJQKOURKSA-N 1 0 664.892 5.428 1 0 KKAFRO Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)C[NH+](C)C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000162992192 562849304 /nfs/dbraw/zinc/84/93/04/562849304.db2.gz RSVWOZLWVMLSBI-UHFFFAOYSA-N 1 0 662.861 5.694 1 0 KKAFRO CC[NH+]1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CC(C)(C)C7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000164271067 562849587 /nfs/dbraw/zinc/84/95/87/562849587.db2.gz YTPKKLUIGBUQST-UHFFFAOYSA-N 1 0 656.828 5.353 1 0 KKAFRO Cc1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5cnc6ccccc6n5)CC4)cc3)nc2n1 ZINC000166583774 562850467 /nfs/dbraw/zinc/85/04/67/562850467.db2.gz YGPAYECGDHPBMD-UHFFFAOYSA-N 1 0 510.645 6.695 1 0 KKAFRO Cc1cnc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167020187 562850613 /nfs/dbraw/zinc/85/06/13/562850613.db2.gz RYHINOVPVSNHAE-UHFFFAOYSA-N 1 0 512.621 5.460 1 0 KKAFRO CC(C)[NH+]1CCC(Oc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1 ZINC000167386525 562850775 /nfs/dbraw/zinc/85/07/75/562850775.db2.gz RVUPIRNDZZGAJU-KTYYFCFMSA-N 1 0 518.661 6.362 1 0 KKAFRO Cc1ccc(O)c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4CN4CCOCC4)c3)CC2)c1 ZINC000167518033 562850913 /nfs/dbraw/zinc/85/09/13/562850913.db2.gz JHTLYFBBYQROBV-DZHYTCOUSA-N 1 0 764.943 6.179 1 0 KKAFRO Cc1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[NH+](C)C)c3)CC2)n1 ZINC000167571290 562850974 /nfs/dbraw/zinc/85/09/74/562850974.db2.gz DNONIZUKZJQPPF-WMPKNSHKSA-N 1 0 597.691 5.622 1 0 KKAFRO Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCC[NH+]5CCCC5)c[nH]4)c3)cc2)c1 ZINC000168974950 562851606 /nfs/dbraw/zinc/85/16/06/562851606.db2.gz KXBYOBLLYNHTNG-UHFFFAOYSA-N 1 0 542.615 5.786 1 0 KKAFRO COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)[C@@]2(C)CC[N@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000169291250 562851890 /nfs/dbraw/zinc/85/18/90/562851890.db2.gz GGAPOKLXWIOMRA-UENJDZAYSA-N 1 0 508.706 6.269 1 0 KKAFRO Cc1nc(C)c(-c2nnc(SCCC[N@@H+]3CC[C@@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000169297732 562852572 /nfs/dbraw/zinc/85/25/72/562852572.db2.gz HIVHEOCGLZASLB-HYBUGGRVSA-N 1 0 521.678 6.110 1 0 KKAFRO O=C(OCc1cn([C@@H]2C[N@@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169300363 562852808 /nfs/dbraw/zinc/85/28/08/562852808.db2.gz CXQUFXAIHBRRMW-PFBJBMPXSA-N 1 0 509.050 5.218 1 0 KKAFRO CC(C)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300828 562852835 /nfs/dbraw/zinc/85/28/35/562852835.db2.gz SIZIBPAHPIUMOL-KEKPKEOLSA-N 1 0 536.713 5.421 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000169304935 562853386 /nfs/dbraw/zinc/85/33/86/562853386.db2.gz LLQVXLJTBVDOQF-AREMUKBSSA-N 1 0 541.545 6.003 3 0 KKAFRO COc1ccc(C2=NN(CCCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307471 562853817 /nfs/dbraw/zinc/85/38/17/562853817.db2.gz LBTNVOYZSMLSOC-BDOKSQTGSA-N 1 0 700.877 6.224 1 0 KKAFRO c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312241 562855309 /nfs/dbraw/zinc/85/53/09/562855309.db2.gz JUYOUNCVTDPWBT-FIRIVFDPSA-N 1 0 512.650 6.775 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(Br)cc21 ZINC000169316883 562855840 /nfs/dbraw/zinc/85/58/40/562855840.db2.gz DDYOGQVNAUBZCG-WUDBXTSMSA-N 1 0 526.371 8.049 1 0 KKAFRO COc1ccc(/C=C/c2cc(C(C)(C)C)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)c2)cc1Br ZINC000169318857 562856116 /nfs/dbraw/zinc/85/61/16/562856116.db2.gz FGCPTZCWWKCZOZ-LEQVUBRHSA-N 1 0 546.590 7.351 1 0 KKAFRO O=c1c(CCCCCC[NH+]2CCN(c3ccccc3)CC2)c([O-])c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319125 562856192 /nfs/dbraw/zinc/85/61/92/562856192.db2.gz QJVMWDGVNXQZNK-PMERELPUSA-N 1 0 530.757 5.481 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169320916 562856536 /nfs/dbraw/zinc/85/65/36/562856536.db2.gz UETLQHNKZGLVFJ-UHFFFAOYSA-N 1 0 598.191 7.256 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000169322507 562856854 /nfs/dbraw/zinc/85/68/54/562856854.db2.gz FMTGTQYIPPNOGJ-GSZKURGRSA-N 1 0 531.656 5.790 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169324449 562857342 /nfs/dbraw/zinc/85/73/42/562857342.db2.gz SSZANHBKYVEXRX-UHFFFAOYSA-N 1 0 570.137 6.476 1 0 KKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CNc5ccccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327448 562858102 /nfs/dbraw/zinc/85/81/02/562858102.db2.gz GTGCKVXMCGSQQS-PTUXOGIPSA-N 1 0 531.726 5.796 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c1cc(Cl)cc2C(F)(F)F ZINC000169333345 562859268 /nfs/dbraw/zinc/85/92/68/562859268.db2.gz ZPNZDUUZGRQPAK-DEOSSOPVSA-N 1 0 513.431 8.163 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1c(Cl)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc21 ZINC000169333440 562859304 /nfs/dbraw/zinc/85/93/04/562859304.db2.gz RVCVJWOVJZTLJZ-OAQYLSRUSA-N 1 0 514.324 8.451 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(I)ccc21 ZINC000169333579 562859322 /nfs/dbraw/zinc/85/93/22/562859322.db2.gz QEFOTVFMCYTRBX-VWLOTQADSA-N 1 0 536.885 7.095 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333413 562859324 /nfs/dbraw/zinc/85/93/24/562859324.db2.gz IRESMALETNMSMJ-XMMPIXPASA-N 1 0 513.431 8.163 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334047 562859437 /nfs/dbraw/zinc/85/94/37/562859437.db2.gz AUGWPXBRUKPGNL-XMMPIXPASA-N 1 0 541.441 7.727 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc21 ZINC000169334633 562859526 /nfs/dbraw/zinc/85/95/26/562859526.db2.gz WNIYUNKMXKMAEP-GDLZYMKVSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335781 562859726 /nfs/dbraw/zinc/85/97/26/562859726.db2.gz HRORQRZPBMTODP-MHZLTWQESA-N 1 0 505.024 8.023 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335792 562859730 /nfs/dbraw/zinc/85/97/30/562859730.db2.gz AISOTQRIJVUQIZ-MUUNZHRXSA-N 1 0 501.498 7.667 1 0 KKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(/C=C/c2ccc(Cl)cc2)c1 ZINC000169335995 562859785 /nfs/dbraw/zinc/85/97/85/562859785.db2.gz PEJVOHQTIGFQSK-FGKXLKRUSA-N 1 0 523.548 8.665 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Oc2ccc(Cl)c(Cl)c2)cc2c(Cl)cc(Cl)cc21 ZINC000169337018 562859924 /nfs/dbraw/zinc/85/99/24/562859924.db2.gz GIQCVCCHAGZKSD-SANMLTNESA-N 1 0 529.335 9.181 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000169338652 562860319 /nfs/dbraw/zinc/86/03/19/562860319.db2.gz OEEJRZAZQZJLAB-JFAKZQSWSA-N 1 0 528.114 5.239 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@H]1c1ccc(F)cc1 ZINC000169340447 562860614 /nfs/dbraw/zinc/86/06/14/562860614.db2.gz LGKYJECCBHCOIR-SANMLTNESA-N 1 0 555.528 5.723 3 0 KKAFRO CC(C)c1ccc(-c2nc3c(s2)C[N@@H+]([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cc1 ZINC000169343642 562861211 /nfs/dbraw/zinc/86/12/11/562861211.db2.gz FAHHQUTXDREWOP-DNOBIOAJSA-N 1 0 509.626 5.138 1 0 KKAFRO C[C@@H]([N@@H+]1CCc2sc(-c3ccc(Cl)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344446 562861333 /nfs/dbraw/zinc/86/13/33/562861333.db2.gz BKWFKRJIKWEUSE-PUAOIOHZSA-N 1 0 501.002 5.273 1 0 KKAFRO CSc1ccc(NC(=O)Nc2ccc(O[C@H](CC[NH+](C)C)c3ccccc3)cc2)cc1C(F)(F)F ZINC000169345054 562861487 /nfs/dbraw/zinc/86/14/87/562861487.db2.gz DTCJIWRORHJYFT-HSZRJFAPSA-N 1 0 503.590 7.143 1 0 KKAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@@H+](C)CC3)ncc1Cl ZINC000169345257 562861566 /nfs/dbraw/zinc/86/15/66/562861566.db2.gz RMBJAPLSOZTGDA-KRWDZBQOSA-N 1 0 500.068 5.391 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccco3)c2)cc1F ZINC000169345212 562861580 /nfs/dbraw/zinc/86/15/80/562861580.db2.gz PEFYXLPKRGWTPZ-UHFFFAOYSA-N 1 0 646.741 6.252 1 0 KKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCC[NH+]1CCCC1)C(=O)NC1CC1 ZINC000169346170 562861719 /nfs/dbraw/zinc/86/17/19/562861719.db2.gz QNPANYJANQKSJI-QFXIDAFZSA-N 1 0 531.851 6.558 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nnc(-c4ccc(Cl)cc4)s3)c3c2c(Cl)ccc3O)CC1 ZINC000169347495 562862017 /nfs/dbraw/zinc/86/20/17/562862017.db2.gz NOPWGIRXRPXHPD-UHFFFAOYSA-N 1 0 594.612 8.493 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3cccc(O)c32)CC1 ZINC000169348364 562862152 /nfs/dbraw/zinc/86/21/52/562862152.db2.gz YAYUUHZDRAIFIU-UHFFFAOYSA-N 1 0 568.640 7.466 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c2c(Cl)ccc3O)CC1 ZINC000169348361 562862163 /nfs/dbraw/zinc/86/21/63/562862163.db2.gz NXISLIWNMIHGEW-UHFFFAOYSA-N 1 0 603.085 8.120 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(F)cc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000169348365 562862168 /nfs/dbraw/zinc/86/21/68/562862168.db2.gz ACVSRSHOAKOROK-UHFFFAOYSA-N 1 0 594.156 7.970 1 0 KKAFRO CC[C@@H](C)N(C(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348498 562862287 /nfs/dbraw/zinc/86/22/87/562862287.db2.gz VTJOLGKDSXXCAR-LITRCPILSA-N 1 0 626.842 6.306 1 0 KKAFRO CCCCCCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000169349175 562862440 /nfs/dbraw/zinc/86/24/40/562862440.db2.gz GXIHSGIDZJWTEP-LJAQVGFWSA-N 1 0 560.735 6.130 1 0 KKAFRO c1ccc(Cn2c3ccccc3nc2-c2ccc(OC[C@H]([C@@H]3CCC[NH2+]C3)n3c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000169353006 562863328 /nfs/dbraw/zinc/86/33/28/562863328.db2.gz XFKBTTLKRPNYMX-FOEBFOTMSA-N 1 0 603.770 8.388 1 0 KKAFRO O=C(OC[C@H](CC1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000169353290 562863477 /nfs/dbraw/zinc/86/34/77/562863477.db2.gz ZFHBIFNRZSIJML-UMSFTDKQSA-N 1 0 652.843 7.492 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](C2CCCC2)C1=O ZINC000169371778 562864806 /nfs/dbraw/zinc/86/48/06/562864806.db2.gz KKFBTFCVHZOBSO-SQHAQQRYSA-N 1 0 502.655 5.258 1 0 KKAFRO O=C(OC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000169372566 562864856 /nfs/dbraw/zinc/86/48/56/562864856.db2.gz UCTGXUBCYYWFLY-VSGBNLITSA-N 1 0 524.661 5.310 1 0 KKAFRO Cc1c(C(=O)NC2CC[NH+](C)CC2)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CC(F)(F)F)c12 ZINC000169686729 562865110 /nfs/dbraw/zinc/86/51/10/562865110.db2.gz DFYLZQYTPNEEKS-CYBMUJFWSA-N 1 0 525.572 5.426 1 0 KKAFRO C[NH+](C)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695149 562865756 /nfs/dbraw/zinc/86/57/56/562865756.db2.gz GHSAQFBEVBKLAC-JWQCQUIFSA-N 1 0 504.652 5.244 1 0 KKAFRO CC(C)CC(=O)N[C@@H](C)c1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698650 562867408 /nfs/dbraw/zinc/86/74/08/562867408.db2.gz MOSPDJNMCYSLQC-QHCPKHFHSA-N 1 0 617.820 5.792 1 0 KKAFRO CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CC[NH+](C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698942 562867506 /nfs/dbraw/zinc/86/75/06/562867506.db2.gz KRICBMSAGLUKEO-MVSFAKPFSA-N 1 0 556.122 6.123 1 0 KKAFRO COc1cc(OCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702202 562868293 /nfs/dbraw/zinc/86/82/93/562868293.db2.gz IEAJHUICXWPQSG-LJQANCHMSA-N 1 0 545.087 6.084 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702397 562868304 /nfs/dbraw/zinc/86/83/04/562868304.db2.gz ZLZQCOZASDJPFL-UHFFFAOYSA-N 1 0 635.172 5.838 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702376 562868326 /nfs/dbraw/zinc/86/83/26/562868326.db2.gz UHTYDYHUUKLLRB-UHFFFAOYSA-N 1 0 628.177 5.422 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702409 562868354 /nfs/dbraw/zinc/86/83/54/562868354.db2.gz YHQUXHJGEOHTIC-HXUWFJFHSA-N 1 0 612.178 6.214 1 0 KKAFRO CCOc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702429 562868362 /nfs/dbraw/zinc/86/83/62/562868362.db2.gz PWQFRSIKOOFVQU-UHFFFAOYSA-N 1 0 577.733 5.065 1 0 KKAFRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3C)CC4)c(Cl)c2)CC1 ZINC000169702458 562868383 /nfs/dbraw/zinc/86/83/83/562868383.db2.gz VJDOLCTUJAOYBR-UHFFFAOYSA-N 1 0 586.140 5.189 1 0 KKAFRO C[C@H](O)C(=O)N(CC[C@H]([NH3+])CF)[C@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000169702691 562868529 /nfs/dbraw/zinc/86/85/29/562868529.db2.gz NRLJADWXSYTZGP-APJQNUAFSA-N 1 0 533.660 5.663 1 0 KKAFRO COc1cc(OC)c2c(c1)OCn1c-2nc(-c2ccc(C3([NH3+])CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 ZINC000169703877 562868834 /nfs/dbraw/zinc/86/88/34/562868834.db2.gz NRAXUZJGKXPKHJ-UHFFFAOYSA-N 1 0 509.606 5.340 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=[NH+][C@@H]1c1ccccc1 ZINC000169704516 562869014 /nfs/dbraw/zinc/86/90/14/562869014.db2.gz ZDVSZYMXLJPQMR-RUZDIDTESA-N 1 0 561.526 6.874 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169704506 562869017 /nfs/dbraw/zinc/86/90/17/562869017.db2.gz INOBMLHJHRPMST-VWLOTQADSA-N 1 0 595.971 7.527 3 0 KKAFRO COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000169704534 562869038 /nfs/dbraw/zinc/86/90/38/562869038.db2.gz RRIHVAFUFDANEX-VWLOTQADSA-N 1 0 527.974 6.509 3 0 KKAFRO CC(=O)O[C@@]12CCN(C(C)=O)[C@@H]1N(C(C)=O)c1ccc(OC(=O)NCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000169706588 562869875 /nfs/dbraw/zinc/86/98/75/562869875.db2.gz JCZCGQLHQOCURC-QZCRLSDHSA-N 1 0 641.769 5.578 1 0 KKAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](C[C@H](C)O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711616 562871109 /nfs/dbraw/zinc/87/11/09/562871109.db2.gz YXWXCJIOARUJNA-QHCPKHFHSA-N 1 0 615.731 5.244 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000195395880 562871730 /nfs/dbraw/zinc/87/17/30/562871730.db2.gz RZZCRJFYHDAULL-HFVNIMEJSA-N 1 0 548.722 6.970 1 0 KKAFRO CCc1ccccc1-c1ccc(C(=O)N[C@H](/C=C/c2ccccc2)[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)OC)cc1 ZINC000196616453 562872556 /nfs/dbraw/zinc/87/25/56/562872556.db2.gz KJRMSZFCCVITKM-YFLVPVFLSA-N 1 0 545.683 6.044 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000196618148 562872561 /nfs/dbraw/zinc/87/25/61/562872561.db2.gz JFZUBUPLMKFLQR-IHLOFXLRSA-N 1 0 519.645 5.401 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([N@@H+]1CC[C@H](F)C1)CC2 ZINC000199680623 562873014 /nfs/dbraw/zinc/87/30/14/562873014.db2.gz KWNAEWYQYPOIBQ-RCSBWOJUSA-N 1 0 555.543 5.387 1 0 KKAFRO CC[NH+](CC)[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)cc1 ZINC000199683095 562873020 /nfs/dbraw/zinc/87/30/20/562873020.db2.gz QBDNZKACLDDLNA-IZLXSDGUSA-N 1 0 503.152 5.585 1 0 KKAFRO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([N@@H+]1CC[C@H](F)C1)CC2 ZINC000199680596 562873044 /nfs/dbraw/zinc/87/30/44/562873044.db2.gz KWNAEWYQYPOIBQ-DDZLNHKNSA-N 1 0 555.543 5.387 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CC[NH+](C)CC5)nc4)c3c2)cc(Cl)c1O ZINC000203802432 562874143 /nfs/dbraw/zinc/87/41/43/562874143.db2.gz XGNPNRIARDNUMX-UHFFFAOYSA-N 1 0 518.017 5.362 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@@H]([N@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422849 562874434 /nfs/dbraw/zinc/87/44/34/562874434.db2.gz VVYWQZGWGMFFKQ-CUNXSJBXSA-N 1 0 544.704 5.051 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnc(C)n4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428299 562874518 /nfs/dbraw/zinc/87/45/18/562874518.db2.gz DSQJCJALPOUQLS-QHCPKHFHSA-N 1 0 514.678 5.308 1 0 KKAFRO COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]3[C@@H]2CCC[C@@H]3[NH+]2CCCC2)cc1 ZINC000204669741 562874571 /nfs/dbraw/zinc/87/45/71/562874571.db2.gz QBCJXEWVKYBDNG-UNCTUWKVSA-N 1 0 516.513 5.274 1 0 KKAFRO CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(Cn4cnc5c4ncnc5SCc4ccccc4)cc3)cc2)cc1 ZINC000205027103 562874776 /nfs/dbraw/zinc/87/47/76/562874776.db2.gz NPVDMGPECXQTGU-UHFFFAOYSA-N 1 0 599.828 7.134 1 0 KKAFRO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F ZINC000205323318 562875077 /nfs/dbraw/zinc/87/50/77/562875077.db2.gz JUOFREXDFXGTPP-UHFFFAOYSA-N 1 0 525.603 5.634 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4cc(Cl)ccc4[nH+]c4c3CCCC4)cc12 ZINC000205596102 562875569 /nfs/dbraw/zinc/87/55/69/562875569.db2.gz UTQFNPJLIOYJFL-UHFFFAOYSA-N 1 0 590.168 7.078 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCNc3c4cc(Cl)ccc4[nH+]c4c3CCCC4)cc12 ZINC000207725823 562876752 /nfs/dbraw/zinc/87/67/52/562876752.db2.gz MBBVMMONYFBGOE-UHFFFAOYSA-N 1 0 520.033 5.127 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000209427838 562876865 /nfs/dbraw/zinc/87/68/65/562876865.db2.gz VYCWLZJQGMLJOM-ZDCRTTOTSA-N 1 0 566.145 6.738 1 0 KKAFRO O=C(N[C@@H](CCCC[NH2+][C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000209427803 562876869 /nfs/dbraw/zinc/87/68/69/562876869.db2.gz VYCWLZJQGMLJOM-XFCANUNOSA-N 1 0 566.145 6.738 1 0 KKAFRO CCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/C[NH+](C)C ZINC000214025104 562877275 /nfs/dbraw/zinc/87/72/75/562877275.db2.gz DJAMFWBXWBHEQD-YVNNLAQVSA-N 1 0 551.022 6.275 1 0 KKAFRO CC[NH+](CC)CCN1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(-c5csc(-c6ccccc6)n5)cc43)c(C)c2C1=O ZINC000214163120 562877314 /nfs/dbraw/zinc/87/73/14/562877314.db2.gz WORCPAGOCMKHEW-PLRJNAJWSA-N 1 0 565.743 6.337 1 0 KKAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000219217833 562877999 /nfs/dbraw/zinc/87/79/99/562877999.db2.gz NRFXMHZRXOAGNB-XAGDYJCDSA-N 1 0 698.808 5.214 1 0 KKAFRO O=C(c1cnc2ccc(-c3cc(F)c(O)c(F)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)nc1)C1CC1 ZINC000219363925 562878116 /nfs/dbraw/zinc/87/81/16/562878116.db2.gz QRKKZHNOBHOINS-UHFFFAOYSA-N 1 0 500.549 6.213 1 0 KKAFRO CC(=O)c1cnc2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc2c1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000219358412 562878130 /nfs/dbraw/zinc/87/81/30/562878130.db2.gz IZTXAFLGSALYPD-UHFFFAOYSA-N 1 0 527.668 7.859 1 0 KKAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000220435267 562878484 /nfs/dbraw/zinc/87/84/84/562878484.db2.gz GQAUXDGBKSBOQH-XUZZJYLKSA-N 1 0 558.733 5.310 1 0 KKAFRO CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc12 ZINC000221458124 562878972 /nfs/dbraw/zinc/87/89/72/562878972.db2.gz CPSSIDMPFSBMRO-UHFFFAOYSA-N 1 0 625.858 8.375 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c1C ZINC000221772090 562879225 /nfs/dbraw/zinc/87/92/25/562879225.db2.gz NKYURHMLVNHRIO-PLRJNAJWSA-N 1 0 522.653 5.049 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)nc4s3)c3c2c(-c2ccc(F)cc2)c(F)cc3O)CC1 ZINC000221967252 562879415 /nfs/dbraw/zinc/87/94/15/562879415.db2.gz MEOSYRMQDNYEEI-UHFFFAOYSA-N 1 0 689.232 9.171 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1F ZINC000222115054 562879648 /nfs/dbraw/zinc/87/96/48/562879648.db2.gz OIIPGLWIAWFBQK-UHFFFAOYSA-N 1 0 682.650 7.421 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222195424 562879795 /nfs/dbraw/zinc/87/97/95/562879795.db2.gz OPZFRGMIMMLJME-UHFFFAOYSA-N 1 0 693.702 6.351 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)SCC(=O)Nc1ccc(Br)cc1 ZINC000222390625 562879807 /nfs/dbraw/zinc/87/98/07/562879807.db2.gz NYQKWDVXXVLEGH-JBENSDGMSA-N 1 0 768.840 8.075 1 0 KKAFRO CCOc1ccc(Cl)cc1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223688273 562880144 /nfs/dbraw/zinc/88/01/44/562880144.db2.gz DAGHQYRKYCDRFR-QFIPXVFZSA-N 1 0 530.097 6.763 1 0 KKAFRO COc1cccc(OC)c1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223683746 562880171 /nfs/dbraw/zinc/88/01/71/562880171.db2.gz QFCXXGHYMPUOCN-NRFANRHFSA-N 1 0 511.651 5.728 1 0 KKAFRO Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CC[NH+](C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073259 562880247 /nfs/dbraw/zinc/88/02/47/562880247.db2.gz BIIFEKIGTUMZNZ-AREMUKBSSA-N 1 0 515.460 6.777 1 0 KKAFRO COC(=O)Nc1ccc2c(c1)N[C@@H](C(F)(F)F)CCCC[C@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1cc-2ccn1 ZINC000230574541 562881126 /nfs/dbraw/zinc/88/11/26/562881126.db2.gz PVBSKBGZCNQQAZ-XUZZJYLKSA-N 1 0 554.573 5.599 1 0 KKAFRO C#[N+]c1cc(Cl)cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)c1 ZINC000230575351 562881140 /nfs/dbraw/zinc/88/11/40/562881140.db2.gz ZWEMDKNKMRHEQA-MUUNZHRXSA-N 1 0 531.443 7.920 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638457 562882462 /nfs/dbraw/zinc/88/24/62/562882462.db2.gz RCIMAYJLHGXJSS-RVGQZVGJSA-N 1 0 509.137 5.127 1 0 KKAFRO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H](N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 ZINC000253655929 562882640 /nfs/dbraw/zinc/88/26/40/562882640.db2.gz MZAFRLYMPQCVGG-UNFRKHOWSA-N 1 0 529.729 5.400 1 0 KKAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC[NH+]4CCCC4)c4ccc(C)cc34)cc2)c1C ZINC000299824293 562883201 /nfs/dbraw/zinc/88/32/01/562883201.db2.gz BADWODUALRLBJL-UHFFFAOYSA-N 1 0 568.722 5.233 1 0 KKAFRO CN(Cc1ccccc1)C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299825918 562883678 /nfs/dbraw/zinc/88/36/78/562883678.db2.gz CZMVYBAAORSTAC-UHFFFAOYSA-N 1 0 569.533 5.463 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)c(C)c4)cc3)ccc2OC)c1 ZINC000299826237 562883831 /nfs/dbraw/zinc/88/38/31/562883831.db2.gz FQWSEFXURXKVET-UHFFFAOYSA-N 1 0 536.672 7.072 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299826452 562883840 /nfs/dbraw/zinc/88/38/40/562883840.db2.gz DCUNJBOOHFVTCV-UHFFFAOYSA-N 1 0 570.333 7.589 1 0 KKAFRO CC(C)c1ccc2c(c1)C(=[NH2+])C[C@H]1[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)CCC[C@]21C ZINC000299827208 562884111 /nfs/dbraw/zinc/88/41/11/562884111.db2.gz NYIHRNQFHIKUNZ-NJANNMLCSA-N 1 0 535.732 7.012 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)c1ccccc1 ZINC000299827723 562884223 /nfs/dbraw/zinc/88/42/23/562884223.db2.gz HJMKMXFAOSSGOY-UHFFFAOYSA-N 1 0 555.506 5.467 1 0 KKAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)[C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1 ZINC000299827840 562884230 /nfs/dbraw/zinc/88/42/30/562884230.db2.gz IHTMZOURUQYLLI-RQNOJGIXSA-N 1 0 545.694 5.785 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CC[NH+](C)CC5)cc4)cc3Cl)ccc2OC)c1 ZINC000299828765 562884583 /nfs/dbraw/zinc/88/45/83/562884583.db2.gz HFVPIEAVKSFOIC-UHFFFAOYSA-N 1 0 557.090 7.417 1 0 KKAFRO Clc1cc2nc(Cc3ccc(Br)cc3)n(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2cc1Cl ZINC000299828827 562884633 /nfs/dbraw/zinc/88/46/33/562884633.db2.gz IZXQYYWCCAQUAK-HTAPYJJXSA-N 1 0 507.303 6.961 1 0 KKAFRO Cc1c(C(=O)NCCCCCCCC[NH2+]Cc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000299830654 562885344 /nfs/dbraw/zinc/88/53/44/562885344.db2.gz ONBPONFRDDTIII-UHFFFAOYSA-N 1 0 598.018 8.668 1 0 KKAFRO CC[NH+](CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299832733 562885930 /nfs/dbraw/zinc/88/59/30/562885930.db2.gz QVKHPUNATPKHIJ-UHFFFAOYSA-N 1 0 561.514 7.592 1 0 KKAFRO COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)c2C(F)(F)F)cc1 ZINC000299832957 562886022 /nfs/dbraw/zinc/88/60/22/562886022.db2.gz HAHHSTUUBWPNHV-UHFFFAOYSA-N 1 0 694.686 7.290 1 0 KKAFRO CN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCc2ccccc2C1 ZINC000299833834 562886290 /nfs/dbraw/zinc/88/62/90/562886290.db2.gz XEOSNEZQGYRQBX-MUUNZHRXSA-N 1 0 609.598 5.820 1 0 KKAFRO COc1cc(OC)cc(OCc2ccc(CC[NH+]3CCN(c4ccccc4C(F)(F)F)CC3)cc2)c1 ZINC000299834256 562886417 /nfs/dbraw/zinc/88/64/17/562886417.db2.gz LCDOBWRPYBGBQS-UHFFFAOYSA-N 1 0 500.561 5.666 1 0 KKAFRO CN(C(=O)CN(CC(=O)NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299834433 562886469 /nfs/dbraw/zinc/88/64/69/562886469.db2.gz XXNWVXIJINZVON-AREMUKBSSA-N 1 0 595.571 5.476 1 0 KKAFRO CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 ZINC000299835241 562886818 /nfs/dbraw/zinc/88/68/18/562886818.db2.gz WNPYNZDVDUMJBN-HKBQPEDESA-N 1 0 606.786 9.455 1 0 KKAFRO C[NH+](C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc21 ZINC000299835592 562886924 /nfs/dbraw/zinc/88/69/24/562886924.db2.gz WTFLFMMRWYYYDV-UHFFFAOYSA-N 1 0 533.460 6.812 1 0 KKAFRO COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c2C(F)(F)F)cc1 ZINC000299836166 562887038 /nfs/dbraw/zinc/88/70/38/562887038.db2.gz MCDUHIJCTCJBFK-UHFFFAOYSA-N 1 0 680.659 6.900 1 0 KKAFRO CCCC1(CCC)[NH2+][C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000299836512 562887181 /nfs/dbraw/zinc/88/71/81/562887181.db2.gz NMVGXFVBCZFKAM-WPUIHRAISA-N 1 0 576.540 5.837 1 0 KKAFRO Cc1nc(C(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299837513 562887491 /nfs/dbraw/zinc/88/74/91/562887491.db2.gz QWENAWZBDMGXSP-UHFFFAOYSA-N 1 0 533.720 7.634 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+](C)CCc3ccccc3)cc2)c(O)cc1O ZINC000299839339 562888169 /nfs/dbraw/zinc/88/81/69/562888169.db2.gz XVSUNACWJLYZAA-UHFFFAOYSA-N 1 0 525.649 6.566 1 0 KKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CC[NH+](C)CC4)cc3)cc2)cc1-c1ccc(Cl)cc1 ZINC000299840299 562888486 /nfs/dbraw/zinc/88/84/86/562888486.db2.gz UXDWJYHNFVXUDC-UHFFFAOYSA-N 1 0 527.064 7.408 1 0 KKAFRO CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(Cl)\C=C\C1=[N+](CC)c2ccc3ccccc3c2C1(C)C ZINC000299844594 562889366 /nfs/dbraw/zinc/88/93/66/562889366.db2.gz JAVQZULVYXYCQS-UHFFFAOYSA-N 1 0 546.178 9.770 1 0 KKAFRO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc43)CC1)CC2 ZINC000299845543 562889502 /nfs/dbraw/zinc/88/95/02/562889502.db2.gz BQFKTGZILBPMOY-PGWJBFNOSA-N 1 0 504.696 5.023 1 0 KKAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@H]4[C@@H]1[C@H]2OCc1ccccc1 ZINC000299845983 562889586 /nfs/dbraw/zinc/88/95/86/562889586.db2.gz MMQFJHNBGAFZRG-DZDSDNEZSA-N 1 0 527.749 6.075 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@@H]2Cc1cccnc1 ZINC000299847917 562890099 /nfs/dbraw/zinc/89/00/99/562890099.db2.gz YWFBIWIPVKDFLH-CJSXLACTSA-N 1 0 583.798 6.259 1 0 KKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@H]2Cc1cccnc1 ZINC000299847919 562890103 /nfs/dbraw/zinc/89/01/03/562890103.db2.gz YWFBIWIPVKDFLH-FETLZDPOSA-N 1 0 583.798 6.259 1 0 KKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)[C@@H]2Cc1ccccc1 ZINC000299847892 562890116 /nfs/dbraw/zinc/89/01/16/562890116.db2.gz WUTQPANFUKXCKM-DXOQEOHKSA-N 1 0 582.810 6.864 1 0 KKAFRO CC[NH+](CC)CCOc1c(I)cc(C(=O)c2c(CCCCO)oc3ccccc32)cc1I ZINC000299853878 562891238 /nfs/dbraw/zinc/89/12/38/562891238.db2.gz RLQKRIKDIQASSH-UHFFFAOYSA-N 1 0 661.318 5.909 1 0 KKAFRO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299854601 562891402 /nfs/dbraw/zinc/89/14/02/562891402.db2.gz ANBNUSDRGUTSIT-UHFFFAOYSA-N 1 0 525.052 5.832 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299854680 562891416 /nfs/dbraw/zinc/89/14/16/562891416.db2.gz AGELYORQPXWSGA-WJOKGBTCSA-N 1 0 501.671 5.837 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCC[NH+]3CCCC3)O5)ccc2OC)c1 ZINC000299855550 562891698 /nfs/dbraw/zinc/89/16/98/562891698.db2.gz BIVOZMPMJWHUTM-GDLZYMKVSA-N 1 0 597.668 5.695 1 0 KKAFRO Cc1cccc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299856656 562891994 /nfs/dbraw/zinc/89/19/94/562891994.db2.gz DBOKVVRTOYWYNR-PXTZSQHASA-N 1 0 560.704 8.038 1 0 KKAFRO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000299856595 562891995 /nfs/dbraw/zinc/89/19/95/562891995.db2.gz KBJUCTLVIRSYIB-UHFFFAOYSA-N 1 0 510.613 5.408 1 0 KKAFRO Cc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12 ZINC000299857640 562892291 /nfs/dbraw/zinc/89/22/91/562892291.db2.gz OFQIAYCTEQQROT-UHFFFAOYSA-N 1 0 539.079 6.141 1 0 KKAFRO COc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(Cl)cc43)CC2)c(=O)n2ccccc12 ZINC000299857663 562892315 /nfs/dbraw/zinc/89/23/15/562892315.db2.gz OMBFGDFIVPUVQV-UHFFFAOYSA-N 1 0 555.078 5.841 1 0 KKAFRO O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000299857690 562892335 /nfs/dbraw/zinc/89/23/35/562892335.db2.gz PAVJGLXJDIPOJU-UHFFFAOYSA-N 1 0 545.058 6.062 1 0 KKAFRO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299858419 562892480 /nfs/dbraw/zinc/89/24/80/562892480.db2.gz RJRFRDSDIKJJQA-UHFFFAOYSA-N 1 0 526.587 5.457 1 0 KKAFRO COc1ccccc1-c1c(=O)n(CCCC[N@H+]2CC=C(c3c[nH]c4ccc(Br)cc43)CC2)c(=O)n2ccccc12 ZINC000299858801 562892552 /nfs/dbraw/zinc/89/25/52/562892552.db2.gz UJTGIMVZSCWDJZ-UHFFFAOYSA-N 1 0 599.529 5.950 1 0 KKAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859464 562892713 /nfs/dbraw/zinc/89/27/13/562892713.db2.gz XTAWWFMNDKGXAZ-JOCHJYFZSA-N 1 0 512.044 6.170 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)O2 ZINC000299861293 562893243 /nfs/dbraw/zinc/89/32/43/562893243.db2.gz IDTWGEUFPVJYSJ-JGCGQSQUSA-N 1 0 515.698 6.227 1 0 KKAFRO COc1cncc(-c2ccc3c(c2)CC[C@@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299866533 562894710 /nfs/dbraw/zinc/89/47/10/562894710.db2.gz WCPNGDHETMPBSE-PDJGWCFMSA-N 1 0 577.691 7.133 1 0 KKAFRO COc1cncc(-c2ccc3c(c2)CC[C@H]3[NH2+][C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 ZINC000299866534 562894714 /nfs/dbraw/zinc/89/47/14/562894714.db2.gz WCPNGDHETMPBSE-RMZANEDDSA-N 1 0 577.691 7.133 1 0 KKAFRO CCN1c2ccccc2[C@@]2([NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867656 562894925 /nfs/dbraw/zinc/89/49/25/562894925.db2.gz QMNWXKSGOPPJNR-FMOZQJFPSA-N 1 0 601.747 5.587 1 0 KKAFRO CCCCCCOc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C5=[NH+]CCN5)c4)cc3)cc2)c1 ZINC000299871573 562895738 /nfs/dbraw/zinc/89/57/38/562895738.db2.gz YRGYQHJCOVSIMD-UHFFFAOYSA-N 1 0 560.698 7.167 1 0 KKAFRO CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2ccccc21 ZINC000377819944 562896125 /nfs/dbraw/zinc/89/61/25/562896125.db2.gz RMJDEUJQBHPZRC-UHFFFAOYSA-O 1 0 503.630 5.779 1 0 KKAFRO COc1ccc2cc3n(cc-2c1=[NH+]CCCCOc1cccc2ccccc21)CCc1cc2c(cc1-3)OCO2 ZINC000377840453 562896252 /nfs/dbraw/zinc/89/62/52/562896252.db2.gz PAVVTHHAIUGRQZ-UHFFFAOYSA-N 1 0 518.613 6.466 1 0 KKAFRO CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848904 562896447 /nfs/dbraw/zinc/89/64/47/562896447.db2.gz APMHJYKAHFWXBV-UHFFFAOYSA-N 1 0 530.676 6.562 1 0 KKAFRO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3[N@H+](C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085182 562896928 /nfs/dbraw/zinc/89/69/28/562896928.db2.gz VOXGFSUNUJCBDG-FTJBHMTQSA-N 1 0 570.483 7.107 1 0 KKAFRO CCN(C(=O)CN(CC(=O)NCC[NH+]1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000473091481 562897677 /nfs/dbraw/zinc/89/76/77/562897677.db2.gz YRUXVFSWUXJJIF-UHFFFAOYSA-N 1 0 609.598 5.820 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000473108880 562898436 /nfs/dbraw/zinc/89/84/36/562898436.db2.gz PMXBXUBZBFDFCX-UHFFFAOYSA-N 1 0 722.740 6.260 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473112572 562898680 /nfs/dbraw/zinc/89/86/80/562898680.db2.gz FJCJWXPTKNWOSL-UHFFFAOYSA-N 1 0 561.675 6.566 1 0 KKAFRO COc1cc2oc(-c3cccc(OCCCCCC[N@H+](C)Cc4ccccc4)c3)cc(=O)c2c(OC)c1OC ZINC000473115927 562899092 /nfs/dbraw/zinc/89/90/92/562899092.db2.gz VUHPTSJKLJDGGT-UHFFFAOYSA-N 1 0 531.649 6.557 1 0 KKAFRO COc1cc2oc(-c3cccc(OCCCC[N@H+](C)Cc4ccccc4)c3)cc(=O)c2c(OC)c1OC ZINC000473117307 562899188 /nfs/dbraw/zinc/89/91/88/562899188.db2.gz YKTNUNROYNPDRV-UHFFFAOYSA-N 1 0 503.595 5.777 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000473136221 562900938 /nfs/dbraw/zinc/90/09/38/562900938.db2.gz ZNUQOEFQWALHAF-XOSCKEEYSA-N 1 0 501.667 5.049 1 0 KKAFRO [NH3+]CCCOc1ccccc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000473136247 562900975 /nfs/dbraw/zinc/90/09/75/562900975.db2.gz ZTSMBWRUGSDFBM-UHFFFAOYSA-N 1 0 548.039 5.378 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136637 562901095 /nfs/dbraw/zinc/90/10/95/562901095.db2.gz TWRGSFQMYKPGBO-OUXBUPKRSA-N 1 0 536.701 6.780 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152113 562901786 /nfs/dbraw/zinc/90/17/86/562901786.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 1 0 564.126 5.975 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCNc1c3ccc(Cl)cc3[nH+]c3c1CCCC3)O2 ZINC000473152448 562901844 /nfs/dbraw/zinc/90/18/44/562901844.db2.gz UGEBTJZBDCKUJD-YTTGMZPUSA-N 1 0 550.143 6.302 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152734 562901877 /nfs/dbraw/zinc/90/18/77/562901877.db2.gz VVKDAPKAJJSSNM-UMSFTDKQSA-N 1 0 559.751 6.047 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[NH+]5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473179746 562903499 /nfs/dbraw/zinc/90/34/99/562903499.db2.gz SVZPYMPDASDKIE-JKIUYZKVSA-N 1 0 537.104 5.112 1 0 KKAFRO CCN(c1cc(-c2ccc(C(=O)NCCCO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473183082 562903586 /nfs/dbraw/zinc/90/35/86/562903586.db2.gz LPHBHYGFGVLDSX-WXUXXXNLSA-N 1 0 615.819 5.121 1 0 KKAFRO O=C([O-])CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215515 562904147 /nfs/dbraw/zinc/90/41/47/562904147.db2.gz VWFOEDSWDKHSHL-HOSLJWMQSA-N 1 0 520.762 7.099 1 0 KKAFRO CCOC(=O)CCCCCCOc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608987 562905483 /nfs/dbraw/zinc/90/54/83/562905483.db2.gz NEUPPLFOBVIXPQ-YTTGMZPUSA-N 1 0 602.772 6.055 1 0 KKAFRO COc1ccc(C[C@@H]2c3ccc(NCc4cccnc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608925 562905521 /nfs/dbraw/zinc/90/55/21/562905521.db2.gz MZNPVXAGVODRHG-SSEXGKCCSA-N 1 0 536.676 5.169 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4nccc5ccccc54)cc32)c1C ZINC000653665763 562905998 /nfs/dbraw/zinc/90/59/98/562905998.db2.gz LECHQKFHCUGIBP-BWAHOGKJSA-N 1 0 507.638 5.411 1 0 KKAFRO CC[NH2+]Cc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1 ZINC000653676825 562906238 /nfs/dbraw/zinc/90/62/38/562906238.db2.gz KWEXFSSXIXIUEJ-UHFFFAOYSA-N 1 0 503.002 5.473 1 0 KKAFRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccccc3)n2)cc1 ZINC000653710225 562908087 /nfs/dbraw/zinc/90/80/87/562908087.db2.gz WQLXOKGVPGKMCK-UHFFFAOYSA-N 1 0 505.544 6.528 1 0 KKAFRO COc1cccc(-c2cccc(NC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c2)c1 ZINC000653711364 562908117 /nfs/dbraw/zinc/90/81/17/562908117.db2.gz FIQOIHVQOBHRSE-UHFFFAOYSA-N 1 0 513.594 5.894 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653711370 562908145 /nfs/dbraw/zinc/90/81/45/562908145.db2.gz HJRDKTXYUSZIPU-SSEXGKCCSA-N 1 0 692.749 6.886 1 0 KKAFRO Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccccc3)cc2)cc1Cl ZINC000653716028 562908482 /nfs/dbraw/zinc/90/84/82/562908482.db2.gz VRLOQYKKBMKSEG-UHFFFAOYSA-N 1 0 501.052 5.045 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(-n3cc(COc4cccc5cccnc54)nn3)cc1)CC2 ZINC000653719086 562908672 /nfs/dbraw/zinc/90/86/72/562908672.db2.gz JLTUAKAHAAACPD-UHFFFAOYSA-N 1 0 521.621 5.013 1 0 KKAFRO O=C(Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1)C(F)(F)F ZINC000653725385 562909077 /nfs/dbraw/zinc/90/90/77/562909077.db2.gz OPTUCAZEDIFLPC-UHFFFAOYSA-N 1 0 610.562 6.545 1 0 KKAFRO [NH3+][C@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000653727832 562909246 /nfs/dbraw/zinc/90/92/46/562909246.db2.gz OIEMABJJRMOPCQ-XDSPJLLDSA-N 1 0 644.816 5.165 1 0 KKAFRO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc1)nc1ccccc12 ZINC000653727947 562909284 /nfs/dbraw/zinc/90/92/84/562909284.db2.gz XBHGFRWXQDEDAF-UHFFFAOYSA-N 1 0 621.741 7.891 1 0 KKAFRO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(c4nc5cc(F)ccc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653729596 562909404 /nfs/dbraw/zinc/90/94/04/562909404.db2.gz OXWJQPZKMJPLPM-UHFFFAOYSA-N 1 0 623.732 8.393 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000653745804 562910378 /nfs/dbraw/zinc/91/03/78/562910378.db2.gz XFVRBLHJVSIYPX-UHFFFAOYSA-N 1 0 739.219 9.025 1 0 KKAFRO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CCN(CC[NH+](C)C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653750425 562910680 /nfs/dbraw/zinc/91/06/80/562910680.db2.gz ODDDPXBADOUTBR-DEOSSOPVSA-N 1 0 576.749 5.820 1 0 KKAFRO Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(C[NH+](C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752901 562910779 /nfs/dbraw/zinc/91/07/79/562910779.db2.gz KPQVAMQEWISVAQ-UHFFFAOYSA-N 1 0 517.629 6.530 1 0 KKAFRO O=C(c1ccc(O)cc1O)N(Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nc(Cl)nc3[nH]ccc32)cc1 ZINC000653767525 562911652 /nfs/dbraw/zinc/91/16/52/562911652.db2.gz WWZIUIJGYUPBNK-UHFFFAOYSA-N 1 0 554.050 6.132 1 0 KKAFRO Cc1n(Cc2ccc3ccccc3c2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781587 562912146 /nfs/dbraw/zinc/91/21/46/562912146.db2.gz IBNQBKRLBKSIKI-JHOUSYSJSA-N 1 0 501.654 5.405 1 0 KKAFRO O=S(=O)(c1ccc2ccccc2c1)N1CCC(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000653784899 562912338 /nfs/dbraw/zinc/91/23/38/562912338.db2.gz YAHZDJRNIZQDPA-UHFFFAOYSA-N 1 0 507.631 5.400 1 0 KKAFRO Cc1ccc2occ(CN(C)CC[N@H+](C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2c1 ZINC000653786029 562912403 /nfs/dbraw/zinc/91/24/03/562912403.db2.gz WWKLYGMPPWLCEC-UHFFFAOYSA-N 1 0 533.594 6.628 1 0 KKAFRO CCn1c(C(=O)NCCC[NH+](CC)CC)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000653788996 562912547 /nfs/dbraw/zinc/91/25/47/562912547.db2.gz VMSJVXXGUPPMBZ-GDLZYMKVSA-N 1 0 527.794 6.170 1 0 KKAFRO COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CC[NH+](C)CC5)cc4)cc32)cc1Cl ZINC000653792950 562912763 /nfs/dbraw/zinc/91/27/63/562912763.db2.gz GMCUDVAXOWQRGR-UHFFFAOYSA-N 1 0 532.048 5.427 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653793021 562912784 /nfs/dbraw/zinc/91/27/84/562912784.db2.gz WAITURAKXSMTEB-UHFFFAOYSA-N 1 0 535.574 5.784 1 0 KKAFRO C[N@H+](CCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830184 562914535 /nfs/dbraw/zinc/91/45/35/562914535.db2.gz AIQDEPYUQBAQFT-UHFFFAOYSA-N 1 0 604.747 7.862 1 0 KKAFRO C[N@H+](CCCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830247 562914547 /nfs/dbraw/zinc/91/45/47/562914547.db2.gz XLSDMIVWGMAJHD-UHFFFAOYSA-N 1 0 639.192 8.516 1 0 KKAFRO COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1C[NH2+][C@H](COC(=O)NCc2ccc(Cl)s2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837794 562914766 /nfs/dbraw/zinc/91/47/66/562914766.db2.gz BYTXZHJSNJVZMI-DWZXRANWSA-N 1 0 691.250 6.113 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ccn1 ZINC000653842132 562914906 /nfs/dbraw/zinc/91/49/06/562914906.db2.gz NTHJNHJTFUNROG-UHFFFAOYSA-N 1 0 544.418 6.174 1 0 KKAFRO CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(C5CC[NH+](C(C)C)CC5)cc4)sc3c2)ccn1 ZINC000653845448 562915191 /nfs/dbraw/zinc/91/51/91/562915191.db2.gz IPLRKODPWNDSPS-UHFFFAOYSA-N 1 0 544.681 6.075 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2F)ccn1 ZINC000653853379 562915642 /nfs/dbraw/zinc/91/56/42/562915642.db2.gz VXQANZLWWOLCAH-UHFFFAOYSA-N 1 0 557.552 6.276 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653887022 562917033 /nfs/dbraw/zinc/91/70/33/562917033.db2.gz FUWOPYATYBTGGR-UHFFFAOYSA-N 1 0 638.744 7.125 1 0 KKAFRO Cc1c2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)ccc2oc1C(=O)NCC[NH+](C)C ZINC000653888087 562917117 /nfs/dbraw/zinc/91/71/17/562917117.db2.gz XGEBJAZLOYGQGF-UHFFFAOYSA-N 1 0 560.503 5.735 1 0 KKAFRO COCc1c(C(=O)OCc2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)cc2n1Cc1ccc(Cl)cc1 ZINC000653899250 562917438 /nfs/dbraw/zinc/91/74/38/562917438.db2.gz BQYKNDVQGYSRSC-UHFFFAOYSA-N 1 0 674.600 7.321 1 0 KKAFRO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3cc[n+](C)c(c31)C2 ZINC000085506031 565130350 /nfs/dbraw/zinc/13/03/50/565130350.db2.gz JBCHKQLKJGBYDT-MUUNZHRXSA-O 1 0 605.711 6.656 1 0 biogenic,in-vitro KKAFRO COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@H+](C)CC2)CCN1C ZINC000085508975 565133017 /nfs/dbraw/zinc/13/30/17/565133017.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 1 0 620.746 7.046 1 0 biogenic,in-vitro KKAFRO NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@H](C[C@H]2CCc3cc4ccccc4cc3[C@@H]2CCCCCCCCCCO)NC2=[NH+]CC=C2)N1 ZINC000085510119 565134282 /nfs/dbraw/zinc/13/42/82/565134282.db2.gz ZUDKZYOKUMLAPR-XGILSPTPSA-N 1 0 612.839 6.661 1 0 biogenic,in-vitro KKAFRO CC[NH2+]Cc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2[C@@H](Cc2ccccc2)Cc2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568459 565143613 /nfs/dbraw/zinc/14/36/13/565143613.db2.gz ZJYFHVSUDVSIPP-IMCYIHTOSA-N 1 0 609.719 6.554 1 0 biogenic,in-vitro KKAFRO COc1cc([C@H]2Oc3c(ccc4c3C[C@@H](CCO)c3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@H](C)c2cccc(CO)c2)cc1O ZINC000085568405 565143712 /nfs/dbraw/zinc/14/37/12/565143712.db2.gz HUIUMLRJCZESMK-DHDSBOOSSA-N 1 0 669.771 5.928 1 0 biogenic,in-vitro KKAFRO CCC[NH2+]CC1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595764 565154068 /nfs/dbraw/zinc/15/40/68/565154068.db2.gz HFKWAZFWFLZVJN-PCJWWCCLSA-N 1 0 623.787 5.678 1 0 biogenic,in-vitro KKAFRO C[NH2+][C@@H]1CCCc2c(O)c(OC)cc3c2C1=C[C@H]1CCCC[C@H]1[C@H]3CC(=O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085595788 565154087 /nfs/dbraw/zinc/15/40/87/565154087.db2.gz RFOHZERJOLBMTI-LYOLLXFHSA-N 1 0 605.772 6.240 1 0 biogenic,in-vitro KKAFRO COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C(C[NH2+]C3CCCCC3)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595786 565154106 /nfs/dbraw/zinc/15/41/06/565154106.db2.gz VHAWOGPZGBLLLN-VBHBOUBHSA-N 1 0 633.826 7.238 1 0 biogenic,in-vitro KKAFRO CCc1cc(O)cc2ccc(COc3cc(CCC(=O)C[C@@H](O)CCCCCCCc4cccc(NC(=[NH2+])NC)c4)ccc3OC)cc21 ZINC000085596119 565154640 /nfs/dbraw/zinc/15/46/40/565154640.db2.gz MWMFBJIECBHTGB-UMSFTDKQSA-N 1 0 653.864 8.097 1 0 biogenic,in-vitro KKAFRO COc1cc(CCC(=O)[C@@H](CCO)C(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085626955 565160233 /nfs/dbraw/zinc/16/02/33/565160233.db2.gz IGZRMRTTWROSHN-NHRDYHFISA-N 1 0 623.750 5.726 1 0 biogenic,in-vitro KKAFRO COc1cc2c(cc1O)[C@H]1C[N@H+](C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173542 /nfs/dbraw/zinc/17/35/42/565173542.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 1 0 636.789 6.169 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823337 581100672 /nfs/dbraw/zinc/10/06/72/581100672.db2.gz SUUZABOKTWBKLI-IENAYUNHSA-N 1 0 542.651 6.236 1 0 KKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](CCc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950780 581101059 /nfs/dbraw/zinc/10/10/59/581101059.db2.gz NJOJGBCXGMXSRK-QHCPKHFHSA-N 1 0 530.607 6.285 1 0 KKAFRO CCCCC[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O ZINC000085596778 291932404 /nfs/dbraw/zinc/93/24/04/291932404.db2.gz BEBXAZPMYYZYFK-KFBOFYSKSA-N 1 0 612.808 5.282 1 0 biogenic,in-vitro KKAFRO CCCCC[C@H]1CCC[C@H]([C@H](c2ccc(C=O)cc2)[C@H]2[C@@H]3C=C[C@@H]4N2[C@]4(O)[C@H]3[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]3O)[NH2+]2)C1 ZINC000085547688 291934372 /nfs/dbraw/zinc/93/43/72/291934372.db2.gz FZLHEKWQJUWDCN-KDCQZWLBSA-N 1 0 532.769 5.418 1 0 biogenic,in-vitro KKAFRO CC[NH2+]CC[C@@H](C)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531384 291939979 /nfs/dbraw/zinc/93/99/79/291939979.db2.gz XBULYNCCTQHFJE-CEJRMIPJSA-N 1 0 719.919 8.728 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@@]23CCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567398 291940246 /nfs/dbraw/zinc/94/02/46/291940246.db2.gz LVUYCUISTNKZJS-KXLOOIBBSA-N 1 0 762.900 6.499 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](C[C@@H]2C=Cc3c(O)cccc3CC2)c2cc[nH]c2C1 ZINC000085626884 291979371 /nfs/dbraw/zinc/97/93/71/291979371.db2.gz PGZQONMOAJAIRC-OOMSUFNTSA-N 1 0 763.935 7.790 1 0 biogenic,in-vitro KKAFRO COc1cc2cc(c1O)Cc1cccc(c1)CC1=CC[NH+]=C1NCC1=C(C(=O)CC(=O)CC2)[C@H](C[C@]2(O)C=Cc3c(O)cccc3CC2)c2cc[nH]c2C1 ZINC000085626855 291979396 /nfs/dbraw/zinc/97/93/96/291979396.db2.gz RWJMKSJUMRRBFD-CWSIMNNKSA-N 1 0 721.854 6.980 1 0 biogenic,in-vitro KKAFRO C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)[NH+](C)C ZINC000044406349 291983252 /nfs/dbraw/zinc/98/32/52/291983252.db2.gz QYYVJMYMRMHFOG-CYBVICEPSA-N 1 0 506.775 6.455 1 0 biogenic,in-vitro KKAFRO CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4[C@H](CN4C(=O)C=CC4=O)c4ccnc(N)c4)C(=O)O/C5=C\C[C@H](C)C[NH2+]C)[C@@H]32)CCCC1 ZINC000085571169 517542490 /nfs/dbraw/zinc/54/24/90/517542490.db2.gz KJGWUALMRAKWGE-VPAIRBMKSA-N 1 0 692.857 5.799 1 0 biogenic,in-vitro KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000001537756 561676923 /nfs/dbraw/zinc/67/69/23/561676923.db2.gz GHWQLKYWYYHBMT-RQZHXJHFSA-N 1 0 511.447 6.991 1 0 KKAFRO C[NH+](CCNC(=O)c1c[nH]c2c1ccc1ccccc21)CCNC(=O)c1c[nH]c2c1ccc1ccccc21 ZINC000001863088 561679941 /nfs/dbraw/zinc/67/99/41/561679941.db2.gz VROFFYZWONRMLJ-UHFFFAOYSA-N 1 0 503.606 5.047 3 0 KKAFRO CC(C)[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)Cc1ccccc1 ZINC000003042239 561681470 /nfs/dbraw/zinc/68/14/70/561681470.db2.gz ONDNVZRUMABNQX-UHFFFAOYSA-N 1 0 540.104 6.149 1 0 KKAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3ccoc3C(C)C)cc2)cc1OC ZINC000003787682 561682432 /nfs/dbraw/zinc/68/24/32/561682432.db2.gz NUNWHRUPOCOTJZ-UHFFFAOYSA-N 1 0 501.645 5.196 1 0 KKAFRO COc1cc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC ZINC000003915038 561684648 /nfs/dbraw/zinc/68/46/48/561684648.db2.gz GJEPQFFTPWRSOJ-UHFFFAOYSA-N 1 0 580.747 5.865 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1 ZINC000003916181 561685017 /nfs/dbraw/zinc/68/50/17/561685017.db2.gz KDZIBHRPMCHQOB-WJOKGBTCSA-N 1 0 631.260 5.225 1 0 KKAFRO O=C1NCc2nc(Sc3ccc(F)cc3F)c(OC3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000003928631 561687045 /nfs/dbraw/zinc/68/70/45/561687045.db2.gz XPWLTGRNORHARK-UHFFFAOYSA-N 1 0 537.419 6.310 1 0 KKAFRO CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000003931507 561687518 /nfs/dbraw/zinc/68/75/18/561687518.db2.gz ORBIOMYKKPXZOT-VMPREFPWSA-N 1 0 523.762 5.600 1 0 KKAFRO C[NH+](C)CCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003932381 561687744 /nfs/dbraw/zinc/68/77/44/561687744.db2.gz MUDKXWPCSGTKHJ-QHCPKHFHSA-N 1 0 541.536 5.777 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000003952712 561690703 /nfs/dbraw/zinc/69/07/03/561690703.db2.gz IFFUUIRWVNTCTO-UHFFFAOYSA-N 1 0 525.693 5.785 1 0 KKAFRO COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003956206 561690900 /nfs/dbraw/zinc/69/09/00/561690900.db2.gz DWXZKZCKLAHOOY-QHCPKHFHSA-N 1 0 500.483 5.861 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1 ZINC000003980255 561692370 /nfs/dbraw/zinc/69/23/70/561692370.db2.gz SIEBMZODRMQBDT-UHFFFAOYSA-N 1 0 540.922 7.991 1 0 KKAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O ZINC000003986215 561692922 /nfs/dbraw/zinc/69/29/22/561692922.db2.gz FIEWONGMXHAGRE-QKDODKLFSA-N 1 0 620.713 5.319 1 0 KKAFRO O[C@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1ccccc1C1CCCC1 ZINC000004394106 561694882 /nfs/dbraw/zinc/69/48/82/561694882.db2.gz WISVQGDWWARZOB-NAKRPHOHSA-N 1 0 513.600 6.903 1 0 KKAFRO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C ZINC000004995243 561695544 /nfs/dbraw/zinc/69/55/44/561695544.db2.gz AVDIGXKFDNTSGD-LKFSIGMXSA-N 1 0 637.818 5.707 1 0 KKAFRO CN(C)c1nc(NC2CCC(C[NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000006717725 561703068 /nfs/dbraw/zinc/70/30/68/561703068.db2.gz ODLVSMAEEPBMLK-UHFFFAOYSA-N 1 0 552.439 6.117 1 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585240 561705873 /nfs/dbraw/zinc/70/58/73/561705873.db2.gz GILJITCPTQRDDJ-BIDWXGPBSA-N 1 0 603.084 8.229 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586095 561705928 /nfs/dbraw/zinc/70/59/28/561705928.db2.gz FPLVWQKJWBMJCK-BIDWXGPBSA-N 1 0 541.135 7.590 3 0 KKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586115 561705968 /nfs/dbraw/zinc/70/59/68/561705968.db2.gz VDADFPWGIVKDSN-OXVBVIIPSA-N 1 0 611.185 8.877 3 0 KKAFRO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(-c4ccc(C)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597102 561706046 /nfs/dbraw/zinc/70/60/46/561706046.db2.gz ZGHXOKNRRGGKRW-UHFFFAOYSA-N 1 0 615.819 5.988 1 0 KKAFRO CNC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475867 561714750 /nfs/dbraw/zinc/71/47/50/561714750.db2.gz NHUABRNOAIQQFT-UHFFFAOYSA-N 1 0 504.606 5.293 1 0 KKAFRO O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487117 561715163 /nfs/dbraw/zinc/71/51/63/561715163.db2.gz PRRCDDZRYYHRPC-UHFFFAOYSA-N 1 0 504.820 7.281 1 0 KKAFRO C[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000013487127 561715179 /nfs/dbraw/zinc/71/51/79/561715179.db2.gz LILWDAALVDRYDY-UHFFFAOYSA-N 1 0 518.847 7.623 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489491 561715889 /nfs/dbraw/zinc/71/58/89/561715889.db2.gz JBTVOWMPTOMYFD-LJAQVGFWSA-N 1 0 515.444 5.906 1 0 KKAFRO CO[C@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529134 561717516 /nfs/dbraw/zinc/71/75/16/561717516.db2.gz DCAZAGGSPNTUCU-BZKUTMRRSA-N 1 0 509.690 6.558 1 0 KKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)sc2c1 ZINC000013534100 561717731 /nfs/dbraw/zinc/71/77/31/561717731.db2.gz BQHSUHHPMPLNJU-UHFFFAOYSA-N 1 0 500.068 5.941 1 0 KKAFRO [NH3+]Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013559602 561719600 /nfs/dbraw/zinc/71/96/00/561719600.db2.gz OCQZYGJWLHVJRD-UHFFFAOYSA-N 1 0 503.446 6.328 1 0 KKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000013587843 561720904 /nfs/dbraw/zinc/72/09/04/561720904.db2.gz HGDNILFTURGNIL-SANMLTNESA-N 1 0 500.393 5.235 1 0 KKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013661179 561723482 /nfs/dbraw/zinc/72/34/82/561723482.db2.gz NPBPQBFJIHOBHC-AREMUKBSSA-N 1 0 526.677 6.551 3 0 KKAFRO O=C(NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1c[nH]c2ccccc21 ZINC000013675668 561724091 /nfs/dbraw/zinc/72/40/91/561724091.db2.gz NTWXQLUPCDPUOH-UHFFFAOYSA-N 1 0 503.090 7.431 1 0 KKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4cc(C(F)(F)F)ccc34)CC2)C1=O ZINC000013731162 561725161 /nfs/dbraw/zinc/72/51/61/561725161.db2.gz GAIGLAXWAMZODA-UHFFFAOYSA-N 1 0 516.583 6.114 1 0 KKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013733935 561725403 /nfs/dbraw/zinc/72/54/03/561725403.db2.gz UGOMNHAPORMLNW-QZTJIDSGSA-N 1 0 522.325 6.113 1 0 KKAFRO CC(C)[NH2+]CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740060 561725953 /nfs/dbraw/zinc/72/59/53/561725953.db2.gz VSIDLKKJBKGECQ-UHFFFAOYSA-N 1 0 505.488 5.151 1 0 KKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3c4cccc3C(F)(F)F)c3ccccc32)cc1 ZINC000013741543 561726048 /nfs/dbraw/zinc/72/60/48/561726048.db2.gz SZKLZVMYXKMBTH-UHFFFAOYSA-N 1 0 522.586 7.633 1 0 KKAFRO Fc1ccc(C(OCC[NH2+]CCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)c2ccc(F)cc2)cc1 ZINC000013780779 561729209 /nfs/dbraw/zinc/72/92/09/561729209.db2.gz LQTLMKWBTKXASX-PMERELPUSA-N 1 0 528.643 6.908 1 0 KKAFRO CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCC[NH+]2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000013781692 561729433 /nfs/dbraw/zinc/72/94/33/561729433.db2.gz JVOUSBDNKSHHNC-PMERELPUSA-N 1 0 522.799 6.906 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781690 561729466 /nfs/dbraw/zinc/72/94/66/561729466.db2.gz QQVFLDPVNBJVOR-GDLZYMKVSA-N 1 0 540.770 6.027 1 0 KKAFRO C[NH+](C)CC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781993 561729574 /nfs/dbraw/zinc/72/95/74/561729574.db2.gz XWPPLQPKHYHHLH-UHFFFAOYSA-N 1 0 502.499 5.363 1 0 KKAFRO CC(C)c1cccc(C(C)C)c1N1CCN(CCC2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813723 561731841 /nfs/dbraw/zinc/73/18/41/561731841.db2.gz PBTGVANSAJOWQK-RUZDIDTESA-N 1 0 505.703 6.118 1 0 KKAFRO CC(C)c1cccc(C(C)C)c1N1CCN(CCC2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000013813726 561731891 /nfs/dbraw/zinc/73/18/91/561731891.db2.gz PBTGVANSAJOWQK-VWLOTQADSA-N 1 0 505.703 6.118 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824929 561732890 /nfs/dbraw/zinc/73/28/90/561732890.db2.gz NGEMVDRQVLOEJW-UHFFFAOYSA-N 1 0 521.648 7.269 1 0 KKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(C(F)(F)F)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834312 561734154 /nfs/dbraw/zinc/73/41/54/561734154.db2.gz ATWOTNVLNKZCHV-UHFFFAOYSA-N 1 0 525.592 7.388 1 0 KKAFRO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860003 561734446 /nfs/dbraw/zinc/73/44/46/561734446.db2.gz RHNOFZVTGNOXAN-ZTFYXODMSA-N 1 0 527.668 7.009 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000013910995 561735641 /nfs/dbraw/zinc/73/56/41/561735641.db2.gz KZWXNCYMBCRBBK-WMPKNSHKSA-N 1 0 522.737 7.015 1 0 KKAFRO O[C@H](C[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1ccccc1C1CCCC1 ZINC000013912525 561735693 /nfs/dbraw/zinc/73/56/93/561735693.db2.gz WISVQGDWWARZOB-LEAFIULHSA-N 1 0 513.600 6.903 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014128065 561736843 /nfs/dbraw/zinc/73/68/43/561736843.db2.gz ITHOBZKJMFCARD-PNBVQZGLSA-N 1 0 557.181 5.289 1 0 KKAFRO C[C@H](C(=O)NC1(c2ccccc2)CCC([NH+]2CCC3(CCCO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014164609 561737223 /nfs/dbraw/zinc/73/72/23/561737223.db2.gz WCUJHRSBAKWJAP-GKECAPAKSA-N 1 0 582.629 7.427 1 0 KKAFRO CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(C[NH2+][C@@H](C)C(C)(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000014191483 561737422 /nfs/dbraw/zinc/73/74/22/561737422.db2.gz DQPJVNQWPBLBAB-QHCPKHFHSA-N 1 0 621.873 6.133 1 0 KKAFRO Clc1cc(Cl)c2c(c1)nc1c(c2SCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947270 561744548 /nfs/dbraw/zinc/74/45/48/561744548.db2.gz IJFBNCJAPVDBOX-UHFFFAOYSA-N 1 0 564.626 9.612 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(NC(N)=O)c4)c3C2=O)cc1 ZINC000014950584 561745684 /nfs/dbraw/zinc/74/56/84/561745684.db2.gz SAJQZUNUQXWXKF-UHFFFAOYSA-N 1 0 548.569 5.313 1 0 KKAFRO NC(=[NH2+])c1ccc2ccn([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950829 561745772 /nfs/dbraw/zinc/74/57/72/561745772.db2.gz RMYBTCLUWIJGRT-GDLZYMKVSA-N 1 0 516.580 5.826 1 0 KKAFRO NC(=[NH2+])c1ccc2ccn([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950825 561745776 /nfs/dbraw/zinc/74/57/76/561745776.db2.gz RMYBTCLUWIJGRT-LJAQVGFWSA-N 1 0 516.580 5.826 1 0 KKAFRO CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)cc1 ZINC000014953474 561746575 /nfs/dbraw/zinc/74/65/75/561746575.db2.gz QXLYGSVBJIHLCV-UHFFFAOYSA-N 1 0 548.659 5.836 1 0 KKAFRO CC[C@H](C)c1nc(-c2ccccc2)c(-c2ccc(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000014957934 561748136 /nfs/dbraw/zinc/74/81/36/561748136.db2.gz CROIFEYJWRGEQT-QFIPXVFZSA-N 1 0 533.676 6.098 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000014959566 561748196 /nfs/dbraw/zinc/74/81/96/561748196.db2.gz BBFRLBGJFFIVOR-XZWHSSHBSA-N 1 0 551.678 5.027 1 0 KKAFRO CC(C)[NH+]1CCN(c2nc(-c3ccc(Cl)cc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962967 561748670 /nfs/dbraw/zinc/74/86/70/561748670.db2.gz XOKLRIBOHSHHOV-UHFFFAOYSA-N 1 0 566.320 6.649 1 0 KKAFRO CCNc1[nH+]ccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963215 561748973 /nfs/dbraw/zinc/74/89/73/561748973.db2.gz MMBDVBGJNUJKOG-UHFFFAOYSA-N 1 0 579.897 6.293 1 0 KKAFRO Cc1cccc(C)c1OC(=O)N(c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1)c1ccc(F)cc1OC(C)C ZINC000014965414 561749625 /nfs/dbraw/zinc/74/96/25/561749625.db2.gz DUPIDHLQYAARAM-UHFFFAOYSA-N 1 0 584.696 6.852 1 0 KKAFRO CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000014970526 561751059 /nfs/dbraw/zinc/75/10/59/561751059.db2.gz SINROGNKCLMROR-GMCHKSTQSA-N 1 0 560.746 5.555 1 0 KKAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CC[NH2+]CC1 ZINC000014970593 561751117 /nfs/dbraw/zinc/75/11/17/561751117.db2.gz GQRRMXRDZHSZNL-WJOKGBTCSA-N 1 0 557.702 5.415 1 0 KKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545685 561755847 /nfs/dbraw/zinc/75/58/47/561755847.db2.gz DIIOKAPUKRNPAJ-YIXXDRMTSA-N 1 0 540.704 6.797 3 0 KKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545682 561755907 /nfs/dbraw/zinc/75/59/07/561755907.db2.gz DIIOKAPUKRNPAJ-KCWPFWIISA-N 1 0 540.704 6.797 3 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+](CC)CC)c1cc(OC)c(OC)c(OC)c1 ZINC000017545857 561756193 /nfs/dbraw/zinc/75/61/93/561756193.db2.gz ZYYIKJVDQPHUGQ-QHCPKHFHSA-N 1 0 555.712 6.433 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017654042 561757234 /nfs/dbraw/zinc/75/72/34/561757234.db2.gz ZTMNNQKTIOUXNE-ORKTZOGASA-N 1 0 577.612 9.413 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017654999 561757798 /nfs/dbraw/zinc/75/77/98/561757798.db2.gz NSMBJRVAUNACHA-VSGBNLITSA-N 1 0 557.735 5.895 1 0 KKAFRO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655034 561757806 /nfs/dbraw/zinc/75/78/06/561757806.db2.gz YZLHJDXGHOKASL-WDYNHAJCSA-N 1 0 571.762 6.285 1 0 KKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655187 561757923 /nfs/dbraw/zinc/75/79/23/561757923.db2.gz JJCDILMKORSWRA-WUFINQPMSA-N 1 0 559.751 6.141 1 0 KKAFRO Fc1ccc(C(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000019365805 561758456 /nfs/dbraw/zinc/75/84/56/561758456.db2.gz XUZRYWIVJZMYFM-WDYNHAJCSA-N 1 0 501.621 6.291 1 0 KKAFRO CN1CC[NH+](CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1 ZINC000021289517 561758805 /nfs/dbraw/zinc/75/88/05/561758805.db2.gz BUUXCZKMEAGSSK-UHFFFAOYSA-N 1 0 559.546 5.358 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC4CCCCC4)nc3n2)CC1 ZINC000021289430 561758813 /nfs/dbraw/zinc/75/88/13/561758813.db2.gz CLVSAAPONJRSGJ-UHFFFAOYSA-N 1 0 571.557 5.502 1 0 KKAFRO O[C@@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000022032967 561758891 /nfs/dbraw/zinc/75/88/91/561758891.db2.gz DEEUPPNPQSCODX-MHZLTWQESA-N 1 0 509.488 5.296 1 0 KKAFRO COc1ccc(CN2CC[NH+](CCCC(=O)N[C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000022940070 561760904 /nfs/dbraw/zinc/76/09/04/561760904.db2.gz OHVAMWRJSXNVJD-RFJFUGTDSA-N 1 0 507.744 5.363 1 0 KKAFRO CN(C)c1ccc(NC[C@@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941096 561761074 /nfs/dbraw/zinc/76/10/74/561761074.db2.gz ZQBJCKIJBOEXIA-SSEXGKCCSA-N 1 0 522.684 5.034 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000025419131 561762585 /nfs/dbraw/zinc/76/25/85/561762585.db2.gz PSNUXVHTFCBHQG-LJAQVGFWSA-N 1 0 592.693 5.817 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 ZINC000025421652 561762730 /nfs/dbraw/zinc/76/27/30/561762730.db2.gz LJHFZRFLGDYKHF-LJAQVGFWSA-N 1 0 624.710 6.557 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc([S@](C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007845 561765760 /nfs/dbraw/zinc/76/57/60/561765760.db2.gz XHRXIZZVBGIHEP-QZNUWAOFSA-N 1 0 688.813 6.469 1 0 KKAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(-c3nc(-c4cccs4)c[nH]3)cc2Cl)cc1OC ZINC000026018055 561766473 /nfs/dbraw/zinc/76/64/73/561766473.db2.gz MMKNLRVPXCJHQL-LJQANCHMSA-N 1 0 514.047 5.048 1 0 KKAFRO CC(C)Oc1ccc2c(cccc2C(=O)N2CCC([NH+]3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1 ZINC000026025356 561766896 /nfs/dbraw/zinc/76/68/96/561766896.db2.gz BNVRVHQVRJMDBF-UHFFFAOYSA-N 1 0 544.805 7.687 1 0 KKAFRO CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000026146296 561767178 /nfs/dbraw/zinc/76/71/78/561767178.db2.gz HOQQTCAAVAEYCQ-YTTGMZPUSA-N 1 0 612.821 6.836 1 0 KKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 ZINC000026182406 561771935 /nfs/dbraw/zinc/77/19/35/561771935.db2.gz KCBPRDRJOWCGOP-SVBPBHIXSA-N 1 0 544.183 6.920 1 0 KKAFRO CC(C)(C)NC(=O)[C@H](CC1CCCCC1)[NH+]1CCC(O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000026269664 561777043 /nfs/dbraw/zinc/77/70/43/561777043.db2.gz JZCGRYARZVXUBG-UIOOFZCWSA-N 1 0 529.766 5.203 1 0 KKAFRO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272149 561777440 /nfs/dbraw/zinc/77/74/40/561777440.db2.gz FYVPNPLKRVWBFI-UHFFFAOYSA-N 1 0 665.810 7.109 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273498 561777620 /nfs/dbraw/zinc/77/76/20/561777620.db2.gz MAWFLIXGSFCFQL-SSEXGKCCSA-N 1 0 559.694 8.363 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000026277061 561778453 /nfs/dbraw/zinc/77/84/53/561778453.db2.gz DIUWTUXGGZCHJF-PKNBQFBNSA-N 1 0 518.488 7.184 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000026286634 561779938 /nfs/dbraw/zinc/77/99/38/561779938.db2.gz MCLJZDLFPSSHBN-XYOKQWHBSA-N 1 0 510.509 7.043 1 0 KKAFRO O=C(N[C@@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1cnc2ccccc2c1)c1ccc2c(Cl)c[nH]c2c1 ZINC000026376296 561782069 /nfs/dbraw/zinc/78/20/69/561782069.db2.gz ILDSYMCEVCIDJB-GDLZYMKVSA-N 1 0 544.099 5.611 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nc(-c4ccc(OC)cc4)n(Cc4ccc(OC)cc4)c3c2)C1C(=O)OC ZINC000026379027 561782988 /nfs/dbraw/zinc/78/29/88/561782988.db2.gz HIIKLNRXOPRDDM-SFJQQJTMSA-N 1 0 567.642 6.190 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)/C=C/c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026380352 561783193 /nfs/dbraw/zinc/78/31/93/561783193.db2.gz DRPXOLMLXDCVBV-HKJAUOMESA-N 1 0 511.518 6.150 1 0 KKAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382055 561783608 /nfs/dbraw/zinc/78/36/08/561783608.db2.gz STFUWKPSBLWGRE-NYDCQLBNSA-N 1 0 614.639 6.388 1 0 KKAFRO NC(=[NH2+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026388509 561785115 /nfs/dbraw/zinc/78/51/15/561785115.db2.gz ZFZDDLWZOLTTQV-LOGWAFOFSA-N 1 0 686.749 7.650 1 0 KKAFRO NC(=[NH2+])c1ccc([C@@H](NC(=O)/C=C/c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389426 561785296 /nfs/dbraw/zinc/78/52/96/561785296.db2.gz UIKUVTUGIBTQHX-LLVWBFNDSA-N 1 0 512.506 5.545 1 0 KKAFRO C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389528 561785309 /nfs/dbraw/zinc/78/53/09/561785309.db2.gz ARHFVLWSFVICTP-SLPAIBBYSA-N 1 0 735.778 6.111 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026398515 561787596 /nfs/dbraw/zinc/78/75/96/561787596.db2.gz VLDBDGASMUQFIR-UHFFFAOYSA-N 1 0 719.698 6.660 1 0 KKAFRO COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)cc3ccccc32)ccc1C[NH+]1CCCC1 ZINC000026400409 561788187 /nfs/dbraw/zinc/78/81/87/561788187.db2.gz UTJYSAFNQZPOEE-UHFFFAOYSA-N 1 0 509.694 6.436 1 0 KKAFRO CCCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000026499535 561795122 /nfs/dbraw/zinc/79/51/22/561795122.db2.gz VHTGHUBHIIFLLJ-GDLZYMKVSA-N 1 0 612.236 6.648 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@H]2CCCCO2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026481137 561791783 /nfs/dbraw/zinc/79/17/83/561791783.db2.gz GGGPQJWPMTWRQL-VNGAGHNVSA-N 1 0 648.656 5.281 1 0 KKAFRO CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026500154 561795250 /nfs/dbraw/zinc/79/52/50/561795250.db2.gz ULYSBKOLJAVXSU-QCENPCRXSA-N 1 0 590.834 6.128 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OC[C@@H]2CCCCO2)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026492784 561793652 /nfs/dbraw/zinc/79/36/52/561793652.db2.gz CGQKCZPIKDKOIQ-DLYXVFEWSA-N 1 0 649.549 5.569 1 0 KKAFRO CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(C)nc3ccccc32)cc1 ZINC000026506462 561796657 /nfs/dbraw/zinc/79/66/57/561796657.db2.gz WBOPWSGPXLCXQU-ZHACJKMWSA-N 1 0 507.682 6.729 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026566597 561797098 /nfs/dbraw/zinc/79/70/98/561797098.db2.gz QNQBWJMVOBQXKB-DIPNUNPCSA-N 1 0 710.699 6.086 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CCN(C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026571178 561798191 /nfs/dbraw/zinc/79/81/91/561798191.db2.gz IVVCZKUEEUXLCC-QNGWXLTQSA-N 1 0 724.730 5.396 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCc2ccncc2)C(C2=C(C)SCCS2)C1C(=O)OCc1ccncc1 ZINC000026654375 561809007 /nfs/dbraw/zinc/80/90/07/561809007.db2.gz RYPALGXDIDDMDF-CYBWEPMMSA-N 1 0 509.653 5.582 1 0 KKAFRO O=S(=O)(c1cccc2ccccc21)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026654327 561809026 /nfs/dbraw/zinc/80/90/26/561809026.db2.gz OEVPCWZBGFRZNA-WJOKGBTCSA-N 1 0 528.674 5.356 1 0 KKAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000026576044 561799887 /nfs/dbraw/zinc/79/98/87/561799887.db2.gz LYGAZEZRPGEYCD-UHFFFAOYSA-N 1 0 605.419 5.637 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026576833 561800737 /nfs/dbraw/zinc/80/07/37/561800737.db2.gz YRQYJAAMCSTHMK-SSEXGKCCSA-N 1 0 665.923 7.920 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC(C)(C)CC4)cc3c2[C@H](C)C[NH2+]CCCCc2ccncc2)c1 ZINC000026577074 561800941 /nfs/dbraw/zinc/80/09/41/561800941.db2.gz PIEZQTZGRGZDED-GDLZYMKVSA-N 1 0 592.872 8.489 1 0 KKAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000026577650 561802208 /nfs/dbraw/zinc/80/22/08/561802208.db2.gz RGELNGVLMUXMQG-UHFFFAOYSA-N 1 0 604.526 5.349 1 0 KKAFRO C[C@@H]1C[NH+](CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1 ZINC000026577733 561802222 /nfs/dbraw/zinc/80/22/22/561802222.db2.gz AWGCWPDDAIECKI-ZIAGYGMSSA-N 1 0 558.156 6.154 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000026578349 561803082 /nfs/dbraw/zinc/80/30/82/561803082.db2.gz WFSGQIXIGIQILN-YOTLLIAWSA-N 1 0 598.187 7.177 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026578605 561803514 /nfs/dbraw/zinc/80/35/14/561803514.db2.gz QTIDZFUSYXAXHM-VLAOEWOHSA-N 1 0 597.655 6.004 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1 ZINC000026578935 561803872 /nfs/dbraw/zinc/80/38/72/561803872.db2.gz DFFXDKRXIFQUQA-PQZOHRHNSA-N 1 0 597.655 6.004 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 ZINC000026578892 561803902 /nfs/dbraw/zinc/80/39/02/561803902.db2.gz UQMQSJFZKTWCCK-MMVPYHRJSA-N 1 0 630.663 6.424 1 0 KKAFRO CCN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026579366 561804509 /nfs/dbraw/zinc/80/45/09/561804509.db2.gz JHFSXSQRPYGVML-MYCMVYEHSA-N 1 0 605.653 6.333 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000026579599 561805002 /nfs/dbraw/zinc/80/50/02/561805002.db2.gz HMEFFWIAISUKDO-HHSLBVOYSA-N 1 0 626.071 6.596 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 ZINC000026580041 561805494 /nfs/dbraw/zinc/80/54/94/561805494.db2.gz BEJZBMDINMSNEG-FPHJQGEJSA-N 1 0 597.674 6.216 1 0 KKAFRO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCCC[NH+](CC)CC)C1 ZINC000026648876 561807929 /nfs/dbraw/zinc/80/79/29/561807929.db2.gz YPROEHWVHUDTQP-XIFFEERXSA-N 1 0 620.883 6.581 1 0 KKAFRO O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026664194 561810914 /nfs/dbraw/zinc/81/09/14/561810914.db2.gz FFWJMJCDPFQUJT-HKBQPEDESA-N 1 0 528.674 5.356 1 0 KKAFRO CC(C)N1CCN(CCN2CC[NH+]([C@H]3C[C@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669896 561812010 /nfs/dbraw/zinc/81/20/10/561812010.db2.gz XDVMQRQYTNBNKW-RSXGOPAZSA-N 1 0 518.599 5.185 1 0 KKAFRO CCOCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000026672158 561812669 /nfs/dbraw/zinc/81/26/69/561812669.db2.gz JPUGXAMECQJERZ-LDLOPFEMSA-N 1 0 737.725 7.174 1 0 KKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(Cl)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672250 561812705 /nfs/dbraw/zinc/81/27/05/561812705.db2.gz MUHNHFMHKZGXIB-UHFFFAOYSA-N 1 0 548.518 6.999 1 0 KKAFRO COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674079 561813346 /nfs/dbraw/zinc/81/33/46/561813346.db2.gz SBMCXVUSNRZQAG-RRHRGVEJSA-N 1 0 676.814 6.472 1 0 KKAFRO COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCOc4ccco4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026674348 561813487 /nfs/dbraw/zinc/81/34/87/561813487.db2.gz ZKIRNRZUIHQPCN-RWYGWLOXSA-N 1 0 706.840 6.503 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000026716258 561814157 /nfs/dbraw/zinc/81/41/57/561814157.db2.gz AGPJNLXSJLVUTM-IBGZPJMESA-N 1 0 513.088 5.497 1 0 KKAFRO CC(C)Oc1cccc(CC(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718020 561814556 /nfs/dbraw/zinc/81/45/56/561814556.db2.gz GHVPKFCDNOFWEW-SJARJILFSA-N 1 0 730.881 7.437 1 0 KKAFRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026749361 561819464 /nfs/dbraw/zinc/81/94/64/561819464.db2.gz WYIADIFVZIKBEK-SBAGELBSSA-N 1 0 530.819 5.511 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823467 561821472 /nfs/dbraw/zinc/82/14/72/561821472.db2.gz WUHUVZJYMLYIBB-OJDZSJEKSA-N 1 0 518.742 5.585 1 0 KKAFRO O=C1[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N1C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026834428 561823829 /nfs/dbraw/zinc/82/38/29/561823829.db2.gz MRCJEQKYMFKMPT-QZCRLSDHSA-N 1 0 606.210 7.769 1 0 KKAFRO C[N@H+](CCCN1C(=S)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836384 561824483 /nfs/dbraw/zinc/82/44/83/561824483.db2.gz UMIAUEYAPOVSMU-NDEPHWFRSA-N 1 0 558.810 6.492 1 0 KKAFRO Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)NCC[NH+]4CCCC4)CC3)Cc3ccccc32)cc1 ZINC000026840625 561825719 /nfs/dbraw/zinc/82/57/19/561825719.db2.gz MVPFSLAMRFZZRY-BHVANESWSA-N 1 0 594.731 5.898 1 0 KKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 ZINC000026843046 561826096 /nfs/dbraw/zinc/82/60/96/561826096.db2.gz UYRIKGJBKKNPSC-IPZQJPLYSA-N 1 0 656.227 6.581 1 0 KKAFRO CN(C[C@H](CC[NH+]1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 ZINC000026845491 561826384 /nfs/dbraw/zinc/82/63/84/561826384.db2.gz NPGJNUNXJQWHMD-NDEPHWFRSA-N 1 0 510.769 6.277 1 0 KKAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCCCC2)c(C(C)C)c1 ZINC000026846234 561826572 /nfs/dbraw/zinc/82/65/72/561826572.db2.gz QGYPULFQPNULSG-MUUNZHRXSA-N 1 0 554.801 5.633 1 0 KKAFRO CC1=NC(=S)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1C(=O)OC(C)C ZINC000026956194 561829213 /nfs/dbraw/zinc/82/92/13/561829213.db2.gz ZICOEXZCJKMWFV-IUKMQXEJSA-N 1 0 542.101 6.438 1 0 KKAFRO CCC[N@H+](CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000026965642 561829892 /nfs/dbraw/zinc/82/98/92/561829892.db2.gz GUYDMNDOMIQYML-GDLZYMKVSA-N 1 0 713.856 7.992 1 0 KKAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026988059 561832126 /nfs/dbraw/zinc/83/21/26/561832126.db2.gz YZKDSEWVOOJDTJ-ZNWXTPNYSA-N 1 0 522.667 5.268 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc(C)nc(C)c2)c1 ZINC000026988465 561832219 /nfs/dbraw/zinc/83/22/19/561832219.db2.gz GTJRPDQITAQKGK-PKWVSMGWSA-N 1 0 590.856 8.078 1 0 KKAFRO CC[NH+](CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC ZINC000026992621 561832748 /nfs/dbraw/zinc/83/27/48/561832748.db2.gz AMJJPIQMPUVCBS-UHFFFAOYSA-N 1 0 543.712 5.725 1 0 KKAFRO CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998182 561833728 /nfs/dbraw/zinc/83/37/28/561833728.db2.gz QDLKZCSBLHDQJF-JPWVNMMBSA-N 1 0 703.994 6.716 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000027077798 561834456 /nfs/dbraw/zinc/83/44/56/561834456.db2.gz AAXSMTSTCQSEEA-MOBARQBVSA-N 1 0 577.681 5.499 1 0 KKAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6Cl)CC5)CC4)OCCO3)cc2)cc1 ZINC000027097105 561838100 /nfs/dbraw/zinc/83/81/00/561838100.db2.gz SAMHBASXWCAOGU-UHFFFAOYSA-N 1 0 625.187 5.398 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027108133 561840739 /nfs/dbraw/zinc/84/07/39/561840739.db2.gz SRMUVNYIIOIOPC-URFQBADOSA-N 1 0 529.640 5.215 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCC3)c(Br)c2)cc1 ZINC000027203805 561845531 /nfs/dbraw/zinc/84/55/31/561845531.db2.gz CXMOUKNCAVXSOQ-FTJBHMTQSA-N 1 0 544.536 7.015 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccc(Br)cc1 ZINC000027209368 561846792 /nfs/dbraw/zinc/84/67/92/561846792.db2.gz VTLTXYQXSCPKFW-ICYKMPLBSA-N 1 0 584.501 6.861 1 0 KKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCCCc1ccccc1 ZINC000027209484 561846796 /nfs/dbraw/zinc/84/67/96/561846796.db2.gz RBCQCVSMIQCOMN-XFBWMNOSSA-N 1 0 533.659 6.878 1 0 KKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2CCCc1ccc(Br)cc1 ZINC000027209370 561846851 /nfs/dbraw/zinc/84/68/51/561846851.db2.gz VTLTXYQXSCPKFW-CRNKYVSFSA-N 1 0 584.501 6.861 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000027212596 561847551 /nfs/dbraw/zinc/84/75/51/561847551.db2.gz YRGWQUSTRJHRQE-LJAQVGFWSA-N 1 0 640.709 6.437 1 0 KKAFRO C[N@H+](CCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323708 561853064 /nfs/dbraw/zinc/85/30/64/561853064.db2.gz LVBUIZBIXJEOSS-UHFFFAOYSA-N 1 0 552.568 8.042 1 0 KKAFRO CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027326126 561853713 /nfs/dbraw/zinc/85/37/13/561853713.db2.gz JWRZHINGGASFEC-UHFFFAOYSA-N 1 0 650.799 6.293 1 0 KKAFRO CC[NH+](CC)CCO/N=C1\C=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](OC(C)=O)C[C@@H]2C1(C)C ZINC000027410505 561856334 /nfs/dbraw/zinc/85/63/34/561856334.db2.gz KPLRMIZYYDOWGI-SFTVQOBMSA-N 1 0 550.784 7.384 1 0 KKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(I)cc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000027424817 561858193 /nfs/dbraw/zinc/85/81/93/561858193.db2.gz BKFRBKWZTZFMJW-UHFFFAOYSA-N 1 0 611.499 5.734 1 0 KKAFRO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[C@@H]([NH+]3CCCCC3)C[C@@H]12 ZINC000101391742 554755716 /nfs/dbraw/zinc/75/57/16/554755716.db2.gz WBNSZLXBDDJMBW-HYZYYIOASA-N 1 0 541.921 5.891 2 0 KKAFRO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[NH2+]CC[C@H]3c3ccccc3)c2=O)cc1 ZINC000027439058 561860587 /nfs/dbraw/zinc/86/05/87/561860587.db2.gz LQUHPSCNOVBDIJ-RMFLJMRMSA-N 1 0 603.188 5.876 1 0 KKAFRO COc1ccc([C@H](CNC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC([NH+]3CCCCC3)CC2)c(OC)c1OC ZINC000027517294 561861106 /nfs/dbraw/zinc/86/11/06/561861106.db2.gz CJQIMLAPDUEUTH-VWLOTQADSA-N 1 0 631.658 6.100 1 0 KKAFRO CCCCCCN(c1ccccn1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027517804 561861570 /nfs/dbraw/zinc/86/15/70/561861570.db2.gz GDPCVMWEZSDSNA-XDFJSJKPSA-N 1 0 530.801 6.755 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000027518265 561862035 /nfs/dbraw/zinc/86/20/35/561862035.db2.gz CCMNSLGQHAOUGI-SFHVURJKSA-N 1 0 538.073 5.480 1 0 KKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000027518232 561862041 /nfs/dbraw/zinc/86/20/41/561862041.db2.gz NJFJLIABUZMOAH-RUZDIDTESA-N 1 0 571.606 6.083 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](/C=C/c1ccccc1)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000027518347 561862187 /nfs/dbraw/zinc/86/21/87/561862187.db2.gz DZTHNMBIWFXTLC-GMYSVHFESA-N 1 0 523.677 5.862 1 0 KKAFRO O[C@H](COc1cccc2c1ccnc2Sc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027518656 561862531 /nfs/dbraw/zinc/86/25/31/561862531.db2.gz CHVBRBCMRRHUFT-LJAQVGFWSA-N 1 0 561.751 6.533 1 0 KKAFRO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)C[C@@H]1C ZINC000027518853 561862655 /nfs/dbraw/zinc/86/26/55/561862655.db2.gz JWRNDENHFBRQCM-ROUUACIJSA-N 1 0 559.460 5.408 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cc(C)ncn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027519595 561863177 /nfs/dbraw/zinc/86/31/77/561863177.db2.gz XMGYRFDVVUAMQJ-OAQYLSRUSA-N 1 0 546.071 5.727 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4ccc(N(C)C)cc4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000027520012 561863438 /nfs/dbraw/zinc/86/34/38/561863438.db2.gz SYARZNLXEFMJSC-HSZRJFAPSA-N 1 0 573.137 6.695 1 0 KKAFRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027520443 561863525 /nfs/dbraw/zinc/86/35/25/561863525.db2.gz JFZUBUPLMKFLQR-LOYHVIPDSA-N 1 0 519.645 5.401 1 0 KKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027522642 561864577 /nfs/dbraw/zinc/86/45/77/561864577.db2.gz POQAFSKCCQVOAP-SKCUWOTOSA-N 1 0 569.681 5.215 1 0 KKAFRO CC(C)[NH+]1CCC(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1 ZINC000027524481 561865669 /nfs/dbraw/zinc/86/56/69/561865669.db2.gz WTYSITXLWIBADH-UHFFFAOYSA-N 1 0 526.895 7.601 1 0 KKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCc2ccccc2)CC1 ZINC000027527292 561866804 /nfs/dbraw/zinc/86/68/04/561866804.db2.gz KOHULFAZZWRIGP-UHFFFAOYSA-N 1 0 502.102 7.312 1 0 KKAFRO COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027547939 561867348 /nfs/dbraw/zinc/86/73/48/561867348.db2.gz QWYAOOCDROWOKG-UHFFFAOYSA-N 1 0 517.533 5.958 1 0 KKAFRO C[C@@H](CCc1ccccc1)N1CCN([C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1=O ZINC000027555653 561869454 /nfs/dbraw/zinc/86/94/54/561869454.db2.gz ZVXCIRLZARDKCY-NZWZHHCMSA-N 1 0 603.808 5.354 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCOCC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027559686 561870333 /nfs/dbraw/zinc/87/03/33/561870333.db2.gz HQIQSQWYWJFBGZ-UHFFFAOYSA-N 1 0 541.692 6.143 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OCc4ccccc4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027560437 561870628 /nfs/dbraw/zinc/87/06/28/561870628.db2.gz LLFXJZYRGAQTIC-UHFFFAOYSA-N 1 0 518.701 7.891 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OCC(C)C ZINC000027712892 561879890 /nfs/dbraw/zinc/87/98/90/561879890.db2.gz ZQFLGVVZOZAMMA-DHJMZRGKSA-N 1 0 508.615 5.947 1 0 KKAFRO Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCC[N@H+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1 ZINC000027739670 561882367 /nfs/dbraw/zinc/88/23/67/561882367.db2.gz PWOQHTKOSWRHKO-XMMPIXPASA-N 1 0 591.728 5.039 1 0 KKAFRO COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742396 561882644 /nfs/dbraw/zinc/88/26/44/561882644.db2.gz YZWWEMUJDZEDSE-UIOOFZCWSA-N 1 0 525.070 5.624 1 0 KKAFRO COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000027742388 561882686 /nfs/dbraw/zinc/88/26/86/561882686.db2.gz YZWWEMUJDZEDSE-CLJLJLNGSA-N 1 0 525.070 5.624 1 0 KKAFRO OCCC[NH2+]CCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(CN(Cc2ccccc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000027843383 561885314 /nfs/dbraw/zinc/88/53/14/561885314.db2.gz UFYBFZKGIOUKOB-UHFFFAOYSA-N 1 0 644.704 7.296 1 0 KKAFRO Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2n2ccnc2)cc1 ZINC000027858927 561886755 /nfs/dbraw/zinc/88/67/55/561886755.db2.gz ZBOLEBXIZATQTP-KKLWWLSJSA-N 1 0 593.793 8.099 1 0 KKAFRO COc1cc2onc(C3CC[NH+](CCCC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2cc1OC ZINC000027864800 561887564 /nfs/dbraw/zinc/88/75/64/561887564.db2.gz PPQWEMHOSAWPID-UHFFFAOYSA-N 1 0 506.593 6.915 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCC[C@]2(c3ccc(F)cc3)OCCc3cc(OC)c(OC)cc32)CC1 ZINC000027884716 561889438 /nfs/dbraw/zinc/88/94/38/561889438.db2.gz HSQHFFBLIVRFMK-WJOKGBTCSA-N 1 0 520.645 5.270 1 0 KKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(N)cc1 ZINC000027893906 561890034 /nfs/dbraw/zinc/89/00/34/561890034.db2.gz QRBDEVSTRKUBFT-DQSJHHFOSA-N 1 0 538.473 6.717 1 0 KKAFRO CC/C=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027899387 561890666 /nfs/dbraw/zinc/89/06/66/561890666.db2.gz ILUXOOXAZQEODK-VJWFBSIMSA-N 1 0 674.553 10.042 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nc(CO)[nH]c3c2)c1 ZINC000027899013 561890684 /nfs/dbraw/zinc/89/06/84/561890684.db2.gz XJADYTYHZGFVJS-WPCLDFDBSA-N 1 0 631.865 7.435 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]cnc3c2)c1 ZINC000027982096 561891842 /nfs/dbraw/zinc/89/18/42/561891842.db2.gz ZURGVSINFPSAAI-WPCLDFDBSA-N 1 0 601.839 7.942 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c(=O)[nH]c3c2F)c1 ZINC000027987328 561892473 /nfs/dbraw/zinc/89/24/73/561892473.db2.gz RDPPORNNQWMAHP-XNORXSBBSA-N 1 0 635.828 7.375 1 0 KKAFRO COC(=O)c1ccc(-c2sc3cc(C(=O)OC)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000027995932 561893779 /nfs/dbraw/zinc/89/37/79/561893779.db2.gz TXLYZNHVBNAZKM-UHFFFAOYSA-N 1 0 557.668 6.237 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)N(C)C)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027996219 561893934 /nfs/dbraw/zinc/89/39/34/561893934.db2.gz FLHRZBMZKXELEJ-DHUJRADRSA-N 1 0 670.634 5.857 1 0 KKAFRO Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000028018389 561897827 /nfs/dbraw/zinc/89/78/27/561897827.db2.gz OFEZZDSSTUQAKL-AHKZPQOWSA-N 1 0 523.518 8.609 1 0 KKAFRO COc1cc(C(=O)N2COC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997211 561894034 /nfs/dbraw/zinc/89/40/34/561894034.db2.gz NTMVVGPIFKNDSZ-RUXKANOASA-N 1 0 659.632 5.988 1 0 KKAFRO COc1ccccc1C(=O)N1CO[C@](CC[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000027998880 561894288 /nfs/dbraw/zinc/89/42/88/561894288.db2.gz ODPFCDRNZOGOLC-HKBQPEDESA-N 1 0 582.528 5.237 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)c3ccccc3N(C)C4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000028000446 561894725 /nfs/dbraw/zinc/89/47/25/561894725.db2.gz DVJSFTVGIFGECU-UMSFTDKQSA-N 1 0 654.591 5.745 1 0 KKAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(=O)N(C)C)(c4ccccc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000028003048 561895080 /nfs/dbraw/zinc/89/50/80/561895080.db2.gz NUMPCPNHUILZAS-DHUJRADRSA-N 1 0 636.189 5.203 1 0 KKAFRO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017729 561897721 /nfs/dbraw/zinc/89/77/21/561897721.db2.gz BUHHUODYGDXLAO-XXSKFNENSA-N 1 0 642.860 7.103 1 0 KKAFRO CCc1cc(CCc2ccccc2)n(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028009262 561896070 /nfs/dbraw/zinc/89/60/70/561896070.db2.gz QCJIDJDKLOGYDO-BTLFPPEZSA-N 1 0 582.833 6.617 1 0 KKAFRO CCn1nc(-c2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010804 561896373 /nfs/dbraw/zinc/89/63/73/561896373.db2.gz KJLMBMNGYISETQ-BEJSXWRTSA-N 1 0 554.779 6.499 1 0 KKAFRO COc1ccc(OCCCC[NH+]2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012459 561896500 /nfs/dbraw/zinc/89/65/00/561896500.db2.gz AGLFWGJQCMSLJD-UUWRZZSWSA-N 1 0 605.801 5.889 1 0 KKAFRO CCCCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011905 561896524 /nfs/dbraw/zinc/89/65/24/561896524.db2.gz XKTMBPJXKQPVLC-CVZYHWGHSA-N 1 0 596.860 7.203 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015158 561897099 /nfs/dbraw/zinc/89/70/99/561897099.db2.gz MXCQYIXLBGSZRW-LWKLBADKSA-N 1 0 568.806 6.422 1 0 KKAFRO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016658 561897489 /nfs/dbraw/zinc/89/74/89/561897489.db2.gz VNPRRWYEJITHNB-HWCFGDHISA-N 1 0 560.758 6.027 1 0 KKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000028019641 561898150 /nfs/dbraw/zinc/89/81/50/561898150.db2.gz GJXUXVVFUGSMMQ-JUERCWOXSA-N 1 0 566.790 6.418 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020660 561898454 /nfs/dbraw/zinc/89/84/54/561898454.db2.gz IBYSMUQVMPGPNX-HKBQPEDESA-N 1 0 566.720 5.822 1 0 KKAFRO CCn1nc(Cc2cccc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088086 561899379 /nfs/dbraw/zinc/89/93/79/561899379.db2.gz MZQIEEBUCHJUJU-NNYJQHGCSA-N 1 0 564.721 5.776 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087293 561899413 /nfs/dbraw/zinc/89/94/13/561899413.db2.gz BYGHXMKCHHHFAS-RKCOTYCJSA-N 1 0 658.781 6.968 1 0 KKAFRO CCn1nc(Cc2cccc3ccccc32)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092389 561900123 /nfs/dbraw/zinc/90/01/23/561900123.db2.gz WAFABTWJGIOLMS-JYIZODLMSA-N 1 0 610.818 7.180 1 0 KKAFRO CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000028092125 561900142 /nfs/dbraw/zinc/90/01/42/561900142.db2.gz MXWBHDROFAXUDI-MGBGTMOVSA-N 1 0 558.744 6.997 1 0 KKAFRO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc5ccccc54)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028100447 561901548 /nfs/dbraw/zinc/90/15/48/561901548.db2.gz JMOOJQQUXGNGBN-ZJYLSAKPSA-N 1 0 610.818 7.180 1 0 KKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CC[NH2+]CC2)cc1 ZINC000028101301 561901656 /nfs/dbraw/zinc/90/16/56/561901656.db2.gz NRANTPWFPSRULP-UHFFFAOYSA-N 1 0 546.458 5.970 1 0 KKAFRO CCOC(=O)C1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028101762 561901684 /nfs/dbraw/zinc/90/16/84/561901684.db2.gz YDDUXXXBYNOVBK-UHFFFAOYSA-N 1 0 555.462 5.668 1 0 KKAFRO CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000028105098 561902176 /nfs/dbraw/zinc/90/21/76/561902176.db2.gz WAPWAAXGLQLAKH-UHFFFAOYSA-N 1 0 536.694 5.295 1 0 KKAFRO Clc1cc2nc(SCCCCn3c4cc(Cl)c(Cl)cc4nc3C3CC[NH2+]CC3)[nH]c2cc1Cl ZINC000028228757 561908636 /nfs/dbraw/zinc/90/86/36/561908636.db2.gz HKESHKPLMMWHEE-UHFFFAOYSA-N 1 0 543.351 7.566 1 0 KKAFRO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128408 561905291 /nfs/dbraw/zinc/90/52/91/561905291.db2.gz JTXBXFTVOCSXTB-CONSDPRKSA-N 1 0 574.169 6.304 1 0 KKAFRO C[NH+](C)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028129806 561905552 /nfs/dbraw/zinc/90/55/52/561905552.db2.gz IICKNDLOOPCZIA-UHFFFAOYSA-N 1 0 501.833 6.639 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc4cccnc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028131199 561905673 /nfs/dbraw/zinc/90/56/73/561905673.db2.gz RDSIIPUBKKQZFV-QFQXNSOFSA-N 1 0 512.481 5.726 1 0 KKAFRO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3nccc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134839 561906463 /nfs/dbraw/zinc/90/64/63/561906463.db2.gz NRRVTSCGKUQBLL-QFQXNSOFSA-N 1 0 512.481 5.726 1 0 KKAFRO CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000028136728 561906711 /nfs/dbraw/zinc/90/67/11/561906711.db2.gz TYCHPBQYNABPSC-LOYHVIPDSA-N 1 0 590.690 6.161 1 0 KKAFRO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137368 561906966 /nfs/dbraw/zinc/90/69/66/561906966.db2.gz UTAPFVCSIYSFAD-CLJLJLNGSA-N 1 0 530.635 5.445 1 0 KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)C1C(=O)OCC ZINC000028219285 561907173 /nfs/dbraw/zinc/90/71/73/561907173.db2.gz VKOMOGKJKFBTTA-YVTZQMTFSA-N 1 0 548.661 6.696 1 0 KKAFRO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCCCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1 ZINC000028226645 561908178 /nfs/dbraw/zinc/90/81/78/561908178.db2.gz FCKFHKNBBNSBNL-UHFFFAOYSA-N 1 0 554.305 6.583 1 0 KKAFRO CC(C)ONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028240848 561910390 /nfs/dbraw/zinc/91/03/90/561910390.db2.gz KEINCOUPCJLBLZ-UHFFFAOYSA-N 1 0 695.792 7.301 1 0 KKAFRO CN1CC[NH+]=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1 ZINC000028240280 561910415 /nfs/dbraw/zinc/91/04/15/561910415.db2.gz IRMIUWHWCBCSNB-UHFFFAOYSA-N 1 0 515.898 5.781 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(CC(C)C)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242179 561910493 /nfs/dbraw/zinc/91/04/93/561910493.db2.gz OGNOFGYQGNFIMU-UHFFFAOYSA-N 1 0 589.708 6.515 1 0 KKAFRO [NH2+]=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1)N1CCCCC1 ZINC000028243305 561910650 /nfs/dbraw/zinc/91/06/50/561910650.db2.gz NVYFNGPVAWIIAH-UHFFFAOYSA-N 1 0 543.952 6.900 1 0 KKAFRO COc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2OC)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028247929 561910863 /nfs/dbraw/zinc/91/08/63/561910863.db2.gz LPPWHYRLXJRBKM-UHFFFAOYSA-N 1 0 639.724 6.857 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Oc1ccccc1)C(C)C ZINC000028345285 561914715 /nfs/dbraw/zinc/91/47/15/561914715.db2.gz VQOXGFQOWOXDNG-PMERELPUSA-N 1 0 529.681 5.599 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Oc1ccccc1)C(C)C ZINC000028345283 561914718 /nfs/dbraw/zinc/91/47/18/561914718.db2.gz VQOXGFQOWOXDNG-SSEXGKCCSA-N 1 0 529.681 5.599 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1)C(C)C ZINC000028345291 561914750 /nfs/dbraw/zinc/91/47/50/561914750.db2.gz UJJFSRCWZSHMHD-SSEXGKCCSA-N 1 0 513.682 5.240 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1)C(C)C ZINC000028345297 561914752 /nfs/dbraw/zinc/91/47/52/561914752.db2.gz UJJFSRCWZSHMHD-PMERELPUSA-N 1 0 513.682 5.240 1 0 KKAFRO COc1ccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3[C@@H]2C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000028330817 561912741 /nfs/dbraw/zinc/91/27/41/561912741.db2.gz XLVCWURNHACJLI-MGBGTMOVSA-N 1 0 557.735 5.178 1 0 KKAFRO O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)nc(SCC[NH2+]Cc1ccccc1)n2Cc1ccccc1 ZINC000028346201 561914861 /nfs/dbraw/zinc/91/48/61/561914861.db2.gz HLWCECMWACGKLI-UHFFFAOYSA-N 1 0 560.720 5.584 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCc1ccccc1)C(C)C ZINC000028341105 561914109 /nfs/dbraw/zinc/91/41/09/561914109.db2.gz WYJGTOWLSHKYOK-MGBGTMOVSA-N 1 0 541.736 5.559 1 0 KKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)[C@H](C)c1ccccc1)C(C)C ZINC000028341587 561914254 /nfs/dbraw/zinc/91/42/54/561914254.db2.gz RJFXQJUFBZNFJI-DICHSLLOSA-N 1 0 541.736 5.730 1 0 KKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C[NH+](C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028234304 561909496 /nfs/dbraw/zinc/90/94/96/561909496.db2.gz ZSCGTZBZPKJLMG-UHFFFAOYSA-N 1 0 556.663 5.857 1 0 KKAFRO CS(=O)(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028354119 561916074 /nfs/dbraw/zinc/91/60/74/561916074.db2.gz RJHCQBJFRPKNDM-DQEYMECFSA-N 1 0 550.771 6.122 1 0 KKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000028364846 561917377 /nfs/dbraw/zinc/91/73/77/561917377.db2.gz ZMOBEPISMLUOFF-AREMUKBSSA-N 1 0 544.514 5.086 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)cc1 ZINC000028371227 561918349 /nfs/dbraw/zinc/91/83/49/561918349.db2.gz VKHAZLNFXPDJLK-WRSOAMKZSA-N 1 0 529.702 6.954 1 0 KKAFRO Cc1ccc(Nc2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H]([NH3+])c4ccccc4)c3=O)cs2)c(C)c1 ZINC000028373381 561918796 /nfs/dbraw/zinc/91/87/96/561918796.db2.gz OBEXAQOCYJGUKL-VWLOTQADSA-N 1 0 573.669 5.829 1 0 KKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCC4(CCCC4)CC3)cc2)cc1 ZINC000028374659 561918947 /nfs/dbraw/zinc/91/89/47/561918947.db2.gz OFKDZZVBNLFIOZ-XZWHSSHBSA-N 1 0 517.691 7.100 1 0 KKAFRO C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374280 561918949 /nfs/dbraw/zinc/91/89/49/561918949.db2.gz ACJLOAVPAVWLDZ-MIKVKYOKSA-N 1 0 668.257 5.463 1 0 KKAFRO COc1cc2c(cc1OCCCOc1ccc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028377165 561919447 /nfs/dbraw/zinc/91/94/47/561919447.db2.gz AQHPQTMEIVSAKL-VWLOTQADSA-N 1 0 594.716 5.159 1 0 KKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1cccc(Br)c1 ZINC000028456554 561923974 /nfs/dbraw/zinc/92/39/74/561923974.db2.gz MUCVLQVHWJGJQI-UHFFFAOYSA-N 1 0 536.131 5.440 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000028464391 561926004 /nfs/dbraw/zinc/92/60/04/561926004.db2.gz MRFZKAWUCKFKJV-IDZRBWSNSA-N 1 0 607.239 5.343 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[C@H]2[NH3+])CC1 ZINC000028464418 561926045 /nfs/dbraw/zinc/92/60/45/561926045.db2.gz XLDGDUSCVKLZIR-OJDZSJEKSA-N 1 0 621.266 5.213 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc21 ZINC000028465532 561926170 /nfs/dbraw/zinc/92/61/70/561926170.db2.gz KBCNGWODBYJUSG-NRFANRHFSA-N 1 0 511.497 5.648 1 0 KKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2cccnc21 ZINC000028473848 561927501 /nfs/dbraw/zinc/92/75/01/561927501.db2.gz BJNIWMAHXDJWJS-NRFANRHFSA-N 1 0 511.497 5.648 1 0 KKAFRO CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC3CC[NH+](C)CC3)c2)cc1 ZINC000028475071 561927713 /nfs/dbraw/zinc/92/77/13/561927713.db2.gz RAYPPCJFDOMLQD-YTTGMZPUSA-N 1 0 539.720 6.098 1 0 KKAFRO Clc1ccc(-n2cncn2)c(Cc2nc3c(ccnc3NCC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)o2)c1 ZINC000028528031 561932652 /nfs/dbraw/zinc/93/26/52/561932652.db2.gz ANKIJLVYTUKGJM-DEOSSOPVSA-N 1 0 528.060 5.904 1 0 KKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1 ZINC000028476840 561928409 /nfs/dbraw/zinc/92/84/09/561928409.db2.gz QCVWQWXJPXRDNC-HXUWFJFHSA-N 1 0 511.497 5.648 1 0 KKAFRO O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)NC1CCCC1 ZINC000028522280 561929475 /nfs/dbraw/zinc/92/94/75/561929475.db2.gz JAOFTGJUMOHSQY-GDLZYMKVSA-N 1 0 628.670 5.889 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000028522914 561929697 /nfs/dbraw/zinc/92/96/97/561929697.db2.gz NMGMJINNEBZSFL-BHVANESWSA-N 1 0 633.839 7.144 1 0 KKAFRO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028522931 561929718 /nfs/dbraw/zinc/92/97/18/561929718.db2.gz FDCXFDPTGGDPPT-XMMPIXPASA-N 1 0 542.568 6.537 1 0 KKAFRO CN(C)c1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523418 561930105 /nfs/dbraw/zinc/93/01/05/561930105.db2.gz HEEKPFDTRBATOX-GDLZYMKVSA-N 1 0 505.751 5.863 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028523842 561930424 /nfs/dbraw/zinc/93/04/24/561930424.db2.gz SZHLSHQSEDXOSN-KWRMZWAXSA-N 1 0 572.746 6.158 1 0 KKAFRO COc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523905 561930614 /nfs/dbraw/zinc/93/06/14/561930614.db2.gz VGXGGSFQUCVCSE-VWLOTQADSA-N 1 0 504.597 5.527 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000028524034 561930624 /nfs/dbraw/zinc/93/06/24/561930624.db2.gz DVGGLOFQUXYFOW-DHUJRADRSA-N 1 0 619.812 7.221 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4s3)cs2)cc1 ZINC000028524035 561930627 /nfs/dbraw/zinc/93/06/27/561930627.db2.gz JZQBCQRICLXOOE-HKBQPEDESA-N 1 0 625.841 7.282 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NC(C)=O)cc2)CC1 ZINC000028528282 561932951 /nfs/dbraw/zinc/93/29/51/561932951.db2.gz VNXYBRUSQZZOGE-JGCGQSQUSA-N 1 0 575.775 5.126 1 0 KKAFRO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2cc3ccccc3[nH]2)[C@@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC000028525478 561931343 /nfs/dbraw/zinc/93/13/43/561931343.db2.gz ZRSDRXURTPHOLM-BBACVFHCSA-N 1 0 572.746 6.158 1 0 KKAFRO Nc1c(Br)cc(C[C@H](NC(=O)CCCc2ccccc2)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc2ccccc2)cc1Br ZINC000028525720 561931455 /nfs/dbraw/zinc/93/14/55/561931455.db2.gz NRAULVYUVFTNJO-SXOMAYOGSA-N 1 0 687.477 5.097 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(Cl)cc2)c2cccc(F)c2)CC1 ZINC000028528267 561932903 /nfs/dbraw/zinc/93/29/03/561932903.db2.gz SQROPWBJFAXFDI-SSEXGKCCSA-N 1 0 571.158 5.960 1 0 KKAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000028528383 561933023 /nfs/dbraw/zinc/93/30/23/561933023.db2.gz WXPALFNOHPEXQH-DIPNUNPCSA-N 1 0 687.928 6.110 1 0 KKAFRO COc1cc(-c2nn(C3CC[NH+](Cc4ccccc4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028564742 561935732 /nfs/dbraw/zinc/93/57/32/561935732.db2.gz OIYVMRKENXOBJF-UHFFFAOYSA-N 1 0 619.623 6.331 1 0 KKAFRO CCCCn1c2ncccc2c(-c2cccc(OCCC[NH+]3CCCCC3)c2)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c1=O ZINC000028565179 561935947 /nfs/dbraw/zinc/93/59/47/561935947.db2.gz QLAUYHIXNHXMQK-UHFFFAOYSA-N 1 0 652.884 8.591 1 0 KKAFRO CC(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565574 561936211 /nfs/dbraw/zinc/93/62/11/561936211.db2.gz AZTHHKLIYVJWNL-UHFFFAOYSA-N 1 0 557.924 8.735 1 0 KKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc12 ZINC000028570903 561939145 /nfs/dbraw/zinc/93/91/45/561939145.db2.gz GDFNCIDUFIPIII-UHFFFAOYSA-N 1 0 533.676 6.434 1 0 KKAFRO O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1N1CCCCC1 ZINC000028570004 561938439 /nfs/dbraw/zinc/93/84/39/561938439.db2.gz KCDRUJOXDKLRND-VSGBNLITSA-N 1 0 520.117 6.732 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571535 561939398 /nfs/dbraw/zinc/93/93/98/561939398.db2.gz KUNOALCWXLLCES-OAQYLSRUSA-N 1 0 590.654 5.640 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(OC(F)(F)F)c4)C[C@H]23)CC1 ZINC000028572439 561940012 /nfs/dbraw/zinc/94/00/12/561940012.db2.gz IBFYJOJEMNPWGW-AVPJRLCVSA-N 1 0 569.043 5.969 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000028604146 561940532 /nfs/dbraw/zinc/94/05/32/561940532.db2.gz NIHQBYGSORFQNB-VZUCSPMQSA-N 1 0 523.892 5.796 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000028604086 561940616 /nfs/dbraw/zinc/94/06/16/561940616.db2.gz KUUXOYYCQDMEFN-WEVVVXLNSA-N 1 0 558.337 6.450 1 0 KKAFRO COc1ccc(C(c2ccc(OC)cc2)=C2C[C@@H](c3ccc(OCC[NH+](C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604465 561940657 /nfs/dbraw/zinc/94/06/57/561940657.db2.gz MDAWDMHTRPPIJM-XIFFEERXSA-N 1 0 551.683 7.136 1 0 KKAFRO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000028635725 561941156 /nfs/dbraw/zinc/94/11/56/561941156.db2.gz ZDXNUXZMUQANIQ-QLKFWGTOSA-N 1 0 619.832 7.221 1 0 KKAFRO CO[C@@H](CCC1=CCCC=C1)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000028636184 561941227 /nfs/dbraw/zinc/94/12/27/561941227.db2.gz RLRJPAMIDWEUSL-DITALETJSA-N 1 0 511.706 6.982 1 0 KKAFRO CC(C)(C)[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000028643239 561944005 /nfs/dbraw/zinc/94/40/05/561944005.db2.gz YMVVHHYEHBPGNW-CLJLJLNGSA-N 1 0 556.128 5.278 1 0 KKAFRO O=C1[C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645269 561944592 /nfs/dbraw/zinc/94/45/92/561944592.db2.gz URWGNKZQFDLBGV-JOCHJYFZSA-N 1 0 512.538 6.733 1 0 KKAFRO COc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000028709300 561950667 /nfs/dbraw/zinc/95/06/67/561950667.db2.gz QXGYYIIXFSURBI-BHVANESWSA-N 1 0 594.777 7.322 1 0 KKAFRO CC[NH+](CC)CCOc1ccc([C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccc(OC)cc2)cc1 ZINC000028709287 561950679 /nfs/dbraw/zinc/95/06/79/561950679.db2.gz WIUKUUCUXDMLKU-UUWRZZSWSA-N 1 0 568.739 6.788 1 0 KKAFRO CC(C)S(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710028 561950829 /nfs/dbraw/zinc/95/08/29/561950829.db2.gz NMXUKCANMSBQDR-UHFFFAOYSA-N 1 0 545.701 7.052 1 0 KKAFRO Nc1nc([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702683 561947128 /nfs/dbraw/zinc/94/71/28/561947128.db2.gz XTYCUSYXJAWVFY-JOCHJYFZSA-N 1 0 594.625 6.614 1 0 KKAFRO CNC(=O)Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702809 561947283 /nfs/dbraw/zinc/94/72/83/561947283.db2.gz LIXMBCYLTAANQS-HSZRJFAPSA-N 1 0 627.655 6.602 1 0 KKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1csc(NC(=O)C2CC2)n1 ZINC000028702791 561947287 /nfs/dbraw/zinc/94/72/87/561947287.db2.gz UFCKZCBEBVQNRA-VWLOTQADSA-N 1 0 638.678 7.199 1 0 KKAFRO CCC(=O)Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702789 561947350 /nfs/dbraw/zinc/94/73/50/561947350.db2.gz WROPXIZGCHYNFR-DEOSSOPVSA-N 1 0 626.667 7.199 1 0 KKAFRO CC(=O)Nc1nc([C@@H](CC[NH+]2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702892 561947452 /nfs/dbraw/zinc/94/74/52/561947452.db2.gz GRXIJUNCNWKVJI-GOSISDBHSA-N 1 0 536.542 5.415 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702904 561947468 /nfs/dbraw/zinc/94/74/68/561947468.db2.gz SSLRKYCBEPQPOB-CCNQEERUSA-N 1 0 732.816 8.520 1 0 KKAFRO CC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703996 561948104 /nfs/dbraw/zinc/94/81/04/561948104.db2.gz FEHOZFOZMBPRSW-DAORKYKSSA-N 1 0 564.614 7.596 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704070 561948218 /nfs/dbraw/zinc/94/82/18/561948218.db2.gz NHWLZHAUUGGYKT-JBNUINKBSA-N 1 0 540.645 7.106 1 0 KKAFRO COC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704090 561948290 /nfs/dbraw/zinc/94/82/90/561948290.db2.gz PBLHODZBJXXWDD-JHYPHSFXSA-N 1 0 530.606 5.953 1 0 KKAFRO O=C(OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028704231 561948384 /nfs/dbraw/zinc/94/83/84/561948384.db2.gz HQRXYUWJSNZQRQ-VWLOTQADSA-N 1 0 546.133 5.327 1 0 KKAFRO O=C(OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704265 561948570 /nfs/dbraw/zinc/94/85/70/561948570.db2.gz ACIRJCGAQPUUFQ-AREMUKBSSA-N 1 0 560.160 5.717 1 0 KKAFRO O=C(OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028704259 561948587 /nfs/dbraw/zinc/94/85/87/561948587.db2.gz HDJMJCHYMXISAB-VWLOTQADSA-N 1 0 546.133 5.327 1 0 KKAFRO O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C(=O)N1c1ccccc1 ZINC000028704474 561948588 /nfs/dbraw/zinc/94/85/88/561948588.db2.gz GUMYTXPIUDRCCP-UHFFFAOYSA-N 1 0 509.585 5.015 1 0 KKAFRO Clc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccc(Cl)cc4)c3)ccn2)cc1 ZINC000028707575 561950062 /nfs/dbraw/zinc/95/00/62/561950062.db2.gz ATTHGFVAAHKHBA-HNRBIFIRSA-N 1 0 515.488 6.966 1 0 KKAFRO COc1cc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)ccn2)cc(OC)c1OC ZINC000028707550 561950102 /nfs/dbraw/zinc/95/01/02/561950102.db2.gz SZXUJNXXESUELF-HNRBIFIRSA-N 1 0 626.754 5.711 1 0 KKAFRO COc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4cccc(OC)c4)c3)ccn2)c1 ZINC000028707555 561950122 /nfs/dbraw/zinc/95/01/22/561950122.db2.gz MUSWRKUJYWYWJO-HNRBIFIRSA-N 1 0 506.650 5.677 1 0 KKAFRO O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)c1nn(Cc2ccccc2)c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711999 561952625 /nfs/dbraw/zinc/95/26/25/561952625.db2.gz XKMOBUYOBFYMSC-UHFFFAOYSA-N 1 0 621.967 6.031 1 0 KKAFRO CC(C)[NH+]1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000028713463 561954087 /nfs/dbraw/zinc/95/40/87/561954087.db2.gz BRGWNGLOWPEQOP-MVJLNBOHSA-N 1 0 731.816 5.509 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000028714036 561954458 /nfs/dbraw/zinc/95/44/58/561954458.db2.gz XCTUDDOOQYANKO-UHFFFAOYSA-N 1 0 558.126 5.920 1 0 KKAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)C(c1ccccc1)c1ccccc1 ZINC000028714013 561954484 /nfs/dbraw/zinc/95/44/84/561954484.db2.gz MZWJNXFFELSNEL-UHFFFAOYSA-N 1 0 556.154 5.646 1 0 KKAFRO CC(=O)Nc1cccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]52[C@@]4(O)C3)c1 ZINC000028762894 561958595 /nfs/dbraw/zinc/95/85/95/561958595.db2.gz CNAFKVWPQYKEEW-OGICNVKRSA-N 1 0 561.682 5.053 1 0 KKAFRO O=C(c1ccccc1)N1CCC[C@](CCC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000028764603 561959167 /nfs/dbraw/zinc/95/91/67/561959167.db2.gz ODPRNYGWGVRXIG-XIFFEERXSA-N 1 0 591.583 6.928 1 0 KKAFRO O=C1NN(c2ccccc2)CC12CC[NH+](CCC[C@@]1(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C1)CC2 ZINC000028765149 561959396 /nfs/dbraw/zinc/95/93/96/561959396.db2.gz VIGYJJFBPARTJM-MGBGTMOVSA-N 1 0 605.610 6.468 1 0 KKAFRO O=C(NC1CC[NH+](CCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1 ZINC000028765529 561959550 /nfs/dbraw/zinc/95/95/50/561959550.db2.gz OPEQUUPNOVNZGO-UHFFFAOYSA-N 1 0 535.610 5.306 1 0 KKAFRO CS(=O)(=O)N1CC2(CC[NH+](CCC[C@]3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)c2ccccc21 ZINC000028766448 561959670 /nfs/dbraw/zinc/95/96/70/561959670.db2.gz WAACBTLXCIQAPC-XIFFEERXSA-N 1 0 640.677 6.761 1 0 KKAFRO c1ccc(C(CCCC[NH+]2CCN(CCCC[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816376 561964018 /nfs/dbraw/zinc/96/40/18/561964018.db2.gz QHAZNMQKEAZESL-LHEWISCISA-N 1 0 588.836 8.093 1 0 KKAFRO C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1C[NH+]1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816394 561964057 /nfs/dbraw/zinc/96/40/57/561964057.db2.gz NGGXTXNCMMOGIG-FHPVIJFVSA-N 1 0 574.809 7.559 1 0 KKAFRO C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1C[NH+]1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816385 561964069 /nfs/dbraw/zinc/96/40/69/561964069.db2.gz NGGXTXNCMMOGIG-SHUZPENHSA-N 1 0 574.809 7.559 1 0 KKAFRO O=C(OC[C@H]1CCC[C@@H](c2cc(F)ccc2F)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028816530 561964197 /nfs/dbraw/zinc/96/41/97/561964197.db2.gz XRMGQEUJTZXKOW-YWEHKCAJSA-N 1 0 596.140 5.990 1 0 KKAFRO COc1ccc(C(=O)c2nc3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823438 561968091 /nfs/dbraw/zinc/96/80/91/561968091.db2.gz SXYITQIOONIMPP-UHFFFAOYSA-N 1 0 560.783 6.686 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3c[nH]c4ccccc43)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823433 561968107 /nfs/dbraw/zinc/96/81/07/561968107.db2.gz CSNFLWWDJAZMCA-UHFFFAOYSA-N 1 0 541.784 7.595 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(N4CCCCC4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823422 561968108 /nfs/dbraw/zinc/96/81/08/561968108.db2.gz QSFWMLRRGQPBOI-UHFFFAOYSA-N 1 0 600.896 8.181 1 0 KKAFRO CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(C(=O)c4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823421 561968113 /nfs/dbraw/zinc/96/81/13/561968113.db2.gz LXINWLOPLBFATO-UHFFFAOYSA-N 1 0 621.870 8.421 1 0 KKAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3csc4cc(F)ccc43)CC2)C1 ZINC000028824386 561969529 /nfs/dbraw/zinc/96/95/29/561969529.db2.gz ITKWRYRBGWDEBC-HSZRJFAPSA-N 1 0 636.737 5.481 1 0 KKAFRO CN(C)C(=O)c1sc2cc(F)ccc2c1C1CC[NH+](CCCn2nc(-c3ccc(C(F)(F)F)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000028824395 561969554 /nfs/dbraw/zinc/96/95/54/561969554.db2.gz ATWCYIQKPYHJFE-UHFFFAOYSA-N 1 0 691.817 6.212 1 0 KKAFRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1C[N@H+](CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000028824685 561969883 /nfs/dbraw/zinc/96/98/83/561969883.db2.gz RMWDIPRGXUWYAE-RPBOFIJWSA-N 1 0 526.565 6.979 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3c(Cl)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826073 561971147 /nfs/dbraw/zinc/97/11/47/561971147.db2.gz UOXNPRGCUZZVNH-UHFFFAOYSA-N 1 0 554.606 8.293 1 0 KKAFRO [NH3+]C1CCC(CC2CCC(N(CCc3c(F)cccc3Cl)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826069 561971175 /nfs/dbraw/zinc/97/11/75/561971175.db2.gz CUTNJBIQWQWFPF-UHFFFAOYSA-N 1 0 552.178 7.821 1 0 KKAFRO NC(=[NH2+])c1ccc(CC[C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000028869501 561973765 /nfs/dbraw/zinc/97/37/65/561973765.db2.gz MWBNFSUYTZMPST-NDEPHWFRSA-N 1 0 543.560 6.507 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000028869918 561973822 /nfs/dbraw/zinc/97/38/22/561973822.db2.gz XFXJOECCOKNBMS-UHFFFAOYSA-N 1 0 520.698 6.748 1 0 KKAFRO COc1ccccc1C(c1ccccc1OC)N1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000028869869 561973841 /nfs/dbraw/zinc/97/38/41/561973841.db2.gz GJFBEHIWIGLENN-VHEBQXMUSA-N 1 0 513.682 5.021 1 0 KKAFRO O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028879754 561976569 /nfs/dbraw/zinc/97/65/69/561976569.db2.gz SMFQFPRZNCDEKA-FQLXRVMXSA-N 1 0 623.713 6.147 1 0 KKAFRO O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028879331 561976277 /nfs/dbraw/zinc/97/62/77/561976277.db2.gz OQRTUCNCZGBLPM-WDYNHAJCSA-N 1 0 622.178 6.522 1 0 KKAFRO [NH3+]CCCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825190 561970490 /nfs/dbraw/zinc/97/04/90/561970490.db2.gz ZXVJPSQFMAGYPI-SANMLTNESA-N 1 0 562.780 5.087 1 0 KKAFRO O=C(OC[C@@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000028880510 561976729 /nfs/dbraw/zinc/97/67/29/561976729.db2.gz PHVSXWGGJQKCLX-DEOSSOPVSA-N 1 0 550.096 5.076 1 0 KKAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2-c2ccc3ccccc3c2)c1 ZINC000028887236 561977794 /nfs/dbraw/zinc/97/77/94/561977794.db2.gz RPPQIZZTOBKRFQ-NDEPHWFRSA-N 1 0 629.548 6.201 1 0 KKAFRO CCCC[C@@H](CCC[NH+](CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887411 561977797 /nfs/dbraw/zinc/97/77/97/561977797.db2.gz RYTKECVWRNYENK-PMERELPUSA-N 1 0 609.642 8.565 1 0 KKAFRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 ZINC000028887451 561977943 /nfs/dbraw/zinc/97/79/43/561977943.db2.gz SNNIDLBXYBQFDU-DEOSSOPVSA-N 1 0 531.144 7.295 1 0 KKAFRO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCC(O)CC1 ZINC000028889715 561978160 /nfs/dbraw/zinc/97/81/60/561978160.db2.gz JQMKEKBWODEOQN-SIBVEZHUSA-N 1 0 536.047 5.785 1 0 KKAFRO COc1ccncc1-n1c(=O)c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(C)n1C ZINC000028897803 561979371 /nfs/dbraw/zinc/97/93/71/561979371.db2.gz RWGXMUHOOIXWAL-UHFFFAOYSA-N 1 0 610.105 5.169 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(Cl)cc2)n1C ZINC000028897729 561979377 /nfs/dbraw/zinc/97/93/77/561979377.db2.gz SKOIKTGETGFVMV-UHFFFAOYSA-N 1 0 613.536 6.419 1 0 KKAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(O)cc2)n1C ZINC000028897734 561979407 /nfs/dbraw/zinc/97/94/07/561979407.db2.gz KQZVHXDSIRAXSF-UHFFFAOYSA-N 1 0 595.090 5.471 1 0 KKAFRO O=C1NC(=Cc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899279 561979639 /nfs/dbraw/zinc/97/96/39/561979639.db2.gz ZVJUIIFILZVRAC-SJIPCVTESA-N 1 0 544.655 5.894 1 0 KKAFRO CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](C)c3ccco3)sc21 ZINC000028901679 561980076 /nfs/dbraw/zinc/98/00/76/561980076.db2.gz UNYJGAONQYGWJT-GOSISDBHSA-N 1 0 512.075 5.885 1 0 KKAFRO CCCC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953919 561982785 /nfs/dbraw/zinc/98/27/85/561982785.db2.gz FUUADFNTJXNXJP-IHLOFXLRSA-N 1 0 565.202 5.319 1 0 KKAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C3=CC[N@H+](CC(C)C)CC3)n2)s1 ZINC000028961183 561984095 /nfs/dbraw/zinc/98/40/95/561984095.db2.gz JHEUFKXLXSJPHC-UHFFFAOYSA-N 1 0 567.637 7.268 1 0 KKAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975177 561986406 /nfs/dbraw/zinc/98/64/06/561986406.db2.gz ULFGYOICMCABPV-SONWIMMPSA-N 1 0 587.762 5.495 1 0 KKAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]CCc3ccccn3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976370 561986922 /nfs/dbraw/zinc/98/69/22/561986922.db2.gz ZSHGBUGJEFDKCS-GDLZYMKVSA-N 1 0 535.673 5.321 1 0 KKAFRO Nc1ccccc1NC(=O)c1ccc([C@H](C(=O)Nc2ccc3ccccc3c2)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000028976602 561987002 /nfs/dbraw/zinc/98/70/02/561987002.db2.gz YBTFCJQIFFETRP-PGUFJCEWSA-N 1 0 583.736 6.214 1 0 KKAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000028978256 561987673 /nfs/dbraw/zinc/98/76/73/561987673.db2.gz DSKXYHYADVMGDR-ACHIHNKUSA-N 1 0 587.728 5.235 1 0 KKAFRO CC(C)[C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029040065 561990432 /nfs/dbraw/zinc/99/04/32/561990432.db2.gz QBWMDSOBTUPOTG-XMMPIXPASA-N 1 0 538.576 7.063 1 0 KKAFRO C[C@H]1C[N@H+](CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000029040093 561990437 /nfs/dbraw/zinc/99/04/37/561990437.db2.gz STSDXEDJWCUXPS-LASKTHCNSA-N 1 0 564.614 7.453 1 0 KKAFRO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029043094 561991887 /nfs/dbraw/zinc/99/18/87/561991887.db2.gz JOPLEQJQVLGYIT-GKRYNVPLSA-N 1 0 610.136 7.305 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000029044000 561992201 /nfs/dbraw/zinc/99/22/01/561992201.db2.gz FFQREROPJIWDRY-AREMUKBSSA-N 1 0 515.485 5.959 1 0 KKAFRO COc1cccc2c(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c21 ZINC000029044512 561992271 /nfs/dbraw/zinc/99/22/71/561992271.db2.gz CENWOFBFGDUFIL-CBAPUUEKSA-N 1 0 541.614 5.086 1 0 KKAFRO COc1ccc2c(c1)[nH]cc2C1CC[NH+]([C@@H](CO)C2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000029045130 561992405 /nfs/dbraw/zinc/99/24/05/561992405.db2.gz BOUGKGORFYZBDQ-RUIMDTIESA-N 1 0 556.534 5.976 1 0 KKAFRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000029044992 561992423 /nfs/dbraw/zinc/99/24/23/561992423.db2.gz FCJXOAAUKSLZHR-RUIMDTIESA-N 1 0 556.534 5.976 1 0 KKAFRO CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)[NH2+]C1CCCC1 ZINC000029045816 561992634 /nfs/dbraw/zinc/99/26/34/561992634.db2.gz WTOKBVWULGQFCD-SFHVURJKSA-N 1 0 565.583 5.650 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4noc(C(C)(C)C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062212 561995862 /nfs/dbraw/zinc/99/58/62/561995862.db2.gz OVRPSSWJEBYDJJ-NDEPHWFRSA-N 1 0 575.754 5.979 1 0 KKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4csc(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062383 561996070 /nfs/dbraw/zinc/99/60/70/561996070.db2.gz SFTBDBTVPUYAQX-GDLZYMKVSA-N 1 0 548.753 6.064 1 0 KKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4ccnc4C)c3=O)CC2)C(C)C)c1 ZINC000029063577 561996317 /nfs/dbraw/zinc/99/63/17/561996317.db2.gz ULSQCYSSRBVLAT-LJAQVGFWSA-N 1 0 531.701 5.261 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3cccc(OC)c3)CC[NH2+]2)c1 ZINC000029128970 562001431 /nfs/dbraw/zinc/00/14/31/562001431.db2.gz ZFNBTDVLFDGNJZ-NUUAREAFSA-N 1 0 635.796 5.857 1 0 KKAFRO Nc1nn(CCc2c[nH]cn2)c2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126873 561999088 /nfs/dbraw/zinc/99/90/88/561999088.db2.gz YNXIBVROBVAXTR-UHFFFAOYSA-N 1 0 609.738 5.793 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(N(C)C)oc5cc4CC3)n2C)n1 ZINC000029126902 561999205 /nfs/dbraw/zinc/99/92/05/561999205.db2.gz YZVLQPHHXCJUBM-UHFFFAOYSA-N 1 0 527.698 5.129 1 0 KKAFRO O=C1Nc2ccccc2[C@]12[N@H+]1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126963 561999280 /nfs/dbraw/zinc/99/92/80/561999280.db2.gz IZTNHWMAUPLTML-POZRDHEVSA-N 1 0 510.037 5.676 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4ccc5oc(C(F)(F)C(F)(F)F)nc5c4CC3)n2C)n1 ZINC000029127199 561999641 /nfs/dbraw/zinc/99/96/41/561999641.db2.gz YJTUMJAALUNJJT-UHFFFAOYSA-N 1 0 602.633 6.717 1 0 KKAFRO O=C1NC(=O)c2c1c1c3cc(O)c(CCCC[NH+]4CCCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127505 561999904 /nfs/dbraw/zinc/99/99/04/561999904.db2.gz YPVLFOPHFIUYRU-UHFFFAOYSA-N 1 0 532.040 5.115 1 0 KKAFRO C[C@H]1C[N@@H+]([C@@H]2CC[C@]3(CCN(Cc4cc(F)cc(C(F)(F)F)c4)C3=O)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128136 562000567 /nfs/dbraw/zinc/00/05/67/562000567.db2.gz GZGXEOPUVQVMJO-JJOWMTMRSA-N 1 0 512.591 6.422 1 0 KKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000029130312 562002351 /nfs/dbraw/zinc/00/23/51/562002351.db2.gz ZXMLRIBTWAJYRQ-FKAPRUDGSA-N 1 0 533.690 5.526 1 0 KKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)Cc4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130305 562002399 /nfs/dbraw/zinc/00/23/99/562002399.db2.gz YWZCKVAHVJWALI-UHFFFAOYSA-N 1 0 582.647 6.498 1 0 KKAFRO C[C@H](CC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2cccn2)cc(-n2cccn2)c1 ZINC000029130151 562002407 /nfs/dbraw/zinc/00/24/07/562002407.db2.gz USWHNYCYCAKUDH-VWNXMTODSA-N 1 0 515.637 5.052 1 0 KKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000029130399 562002536 /nfs/dbraw/zinc/00/25/36/562002536.db2.gz VGQVERFTHHEIEQ-GMCHKSTQSA-N 1 0 528.718 5.494 1 0 KKAFRO COc1ccc2[nH]c(C)c(C[NH2+][C@@H](CCCCCC(C)=O)C(=O)Nc3cccc(-c4ccccc4)c3)c2c1 ZINC000029133286 562003543 /nfs/dbraw/zinc/00/35/43/562003543.db2.gz LGSFNRNTFPEYSX-HKBQPEDESA-N 1 0 511.666 6.788 1 0 KKAFRO CC1([NH+]2CCC(c3cc(-c4ccc(F)cc4Cl)c4c(c3)N(c3c(Cl)cccc3Cl)C(=O)NC4)CC2)CCC1 ZINC000029134680 562004193 /nfs/dbraw/zinc/00/41/93/562004193.db2.gz HJLPFNIJSBWNLS-UHFFFAOYSA-N 1 0 572.939 8.936 1 0 KKAFRO COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1 ZINC000029205753 562005124 /nfs/dbraw/zinc/00/51/24/562005124.db2.gz AZFBFLIHJUFRQE-VTIYRKAUSA-N 1 0 511.662 6.496 1 0 KKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccc(OCCN5CCOCC5)cc4c3)cc2)cc1 ZINC000029207662 562005448 /nfs/dbraw/zinc/00/54/48/562005448.db2.gz SHAMCHNYKIYNST-AMAPPZPBSA-N 1 0 610.795 6.199 1 0 KKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1 ZINC000029207666 562005452 /nfs/dbraw/zinc/00/54/52/562005452.db2.gz NFGSWDKOHGAPRT-AMAPPZPBSA-N 1 0 610.795 6.199 1 0 KKAFRO O=S(=O)(c1ccccc1)N1C[C@H](C[NH+]2CCC3(CSc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000029223248 562007586 /nfs/dbraw/zinc/00/75/86/562007586.db2.gz MLGUGUGJZZJNEQ-AZGAKELHSA-N 1 0 504.721 5.230 1 0 KKAFRO CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029327673 562013549 /nfs/dbraw/zinc/01/35/49/562013549.db2.gz WENQKJQTJBPMGQ-MHZLTWQESA-N 1 0 534.682 5.136 1 0 KKAFRO CN(C[C@@H](CC[NH+]1CCC2(CC1)NCCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334570 562014188 /nfs/dbraw/zinc/01/41/88/562014188.db2.gz JVIZOQMXVALTOM-AREMUKBSSA-N 1 0 536.547 6.376 1 0 KKAFRO COc1ccccc1[C@H]1C(C(=O)OCCC[NH+](C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029336796 562014393 /nfs/dbraw/zinc/01/43/93/562014393.db2.gz ZOSLPHMYWVWJOI-DEOSSOPVSA-N 1 0 532.493 6.229 1 0 KKAFRO [NH2+]=C(NCCCc1ccccc1)NCCC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000029348029 562016668 /nfs/dbraw/zinc/01/66/68/562016668.db2.gz KPFXBHZYPVJJDR-PSXMRANNSA-N 1 0 615.822 5.883 1 0 KKAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029390944 562017321 /nfs/dbraw/zinc/01/73/21/562017321.db2.gz JSRIBAJLWYYEGN-AKGWNBJDSA-N 1 0 643.637 5.024 1 0 KKAFRO O=C(CC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029398354 562019071 /nfs/dbraw/zinc/01/90/71/562019071.db2.gz FZWBQCHFFBIVSI-UHFFFAOYSA-N 1 0 591.587 6.121 1 0 KKAFRO NC(=[NH2+])c1cccc(Oc2cc(Br)ccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029398743 562019271 /nfs/dbraw/zinc/01/92/71/562019271.db2.gz ZRAMHUXONFFVBC-UHFFFAOYSA-N 1 0 565.449 5.092 1 0 KKAFRO COc1cc(C(=O)N2CCOC(CC[NH+]3CCC4(CC3)c3ccccc3C[S@@]4=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000029400137 562019621 /nfs/dbraw/zinc/01/96/21/562019621.db2.gz RWSBBXFLRGQFQP-GMXZTLEESA-N 1 0 673.659 6.031 1 0 KKAFRO C[NH+](C)CCCc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029412276 562022045 /nfs/dbraw/zinc/02/20/45/562022045.db2.gz JGACJCDKTJTGCZ-DNNCLPCDSA-N 1 0 629.842 5.001 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(CCC[NH+]2CCSCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029412282 562022050 /nfs/dbraw/zinc/02/20/50/562022050.db2.gz NQCMSKALNPHQKN-VCPMIQRASA-N 1 0 687.947 5.488 1 0 KKAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[NH+]2CCCCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000029412996 562022317 /nfs/dbraw/zinc/02/23/17/562022317.db2.gz GETGSYUVNAQKQG-LMRQRCQZSA-N 1 0 671.879 5.372 1 0 KKAFRO O=C(Nc1ccncn1)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(Cl)cc(Cl)c1)c2OCC[C@@H]1CCCC[NH2+]1 ZINC000029413358 562022319 /nfs/dbraw/zinc/02/23/19/562022319.db2.gz YSUJBTKJKPWKBA-SFHVURJKSA-N 1 0 572.880 6.521 1 0 KKAFRO CC[N@H+](CCCCc1ccncc1)CCc1c2cc(C(C)(C)C(=O)N3C4CCC3CC4)ccc2[nH]c1-c1cc(C)cc(C)c1 ZINC000029416556 562022980 /nfs/dbraw/zinc/02/29/80/562022980.db2.gz SJLYYRRWCXHKFC-UHFFFAOYSA-N 1 0 590.856 8.165 1 0 KKAFRO CCN(CC)C(=O)[C@H](C)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029417467 562023260 /nfs/dbraw/zinc/02/32/60/562023260.db2.gz YQEYJULPTBJTTD-HHHXNRCGSA-N 1 0 616.872 6.950 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4cnccn4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029462626 562023455 /nfs/dbraw/zinc/02/34/55/562023455.db2.gz ADRCRSPDCZNNQH-FQEVSTJZSA-N 1 0 547.059 6.223 1 0 KKAFRO CCCN(CCC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000029463667 562023517 /nfs/dbraw/zinc/02/35/17/562023517.db2.gz XDLRSSXEMBNCQM-UHFFFAOYSA-N 1 0 616.872 7.240 1 0 KKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029463154 562023534 /nfs/dbraw/zinc/02/35/34/562023534.db2.gz RQVXMBCNJPEXBI-UIOOFZCWSA-N 1 0 522.737 7.015 1 0 KKAFRO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000029465450 562024266 /nfs/dbraw/zinc/02/42/66/562024266.db2.gz COGAYYBDLLKXGY-UHFFFAOYSA-N 1 0 511.710 6.794 1 0 KKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)Nc4ncccn4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029466590 562024489 /nfs/dbraw/zinc/02/44/89/562024489.db2.gz KRIBVWJKLFAVAH-HXUWFJFHSA-N 1 0 547.059 6.223 1 0 KKAFRO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@H](O)C[NH2+]C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC000029468730 562025092 /nfs/dbraw/zinc/02/50/92/562025092.db2.gz GFTWFKGCSFRFOV-VEYUFSJPSA-N 1 0 555.801 5.025 1 0 KKAFRO CCCCCCOc1cc(CCc2nc(C)c(CC)s2)[nH+]c(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000029471431 562025712 /nfs/dbraw/zinc/02/57/12/562025712.db2.gz KFEBXGXDHOMHPW-UHFFFAOYSA-N 1 0 573.203 8.376 1 0 KKAFRO CCc1sc(CCc2cc(O[C@@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029473643 562025986 /nfs/dbraw/zinc/02/59/86/562025986.db2.gz ZVDPFDLAGLHKAY-SFHVURJKSA-N 1 0 561.148 6.830 1 0 KKAFRO CCCN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1=O ZINC000029473711 562026032 /nfs/dbraw/zinc/02/60/32/562026032.db2.gz INDVJKRYIVVHGE-PMERELPUSA-N 1 0 544.744 5.491 1 0 KKAFRO CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)[nH+]2)nc1C ZINC000029474187 562026059 /nfs/dbraw/zinc/02/60/59/562026059.db2.gz KTOVLQSGAUAGBK-UHFFFAOYSA-N 1 0 608.208 7.823 1 0 KKAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+](CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000029483489 562027888 /nfs/dbraw/zinc/02/78/88/562027888.db2.gz XBGSRHLGDODGSU-UXBLZVDNSA-N 1 0 577.578 6.026 1 0 KKAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](CCCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029545107 562029585 /nfs/dbraw/zinc/02/95/85/562029585.db2.gz GPOHXSRIYHKDDY-MUUNZHRXSA-N 1 0 600.612 5.815 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)CCC3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555097 562031959 /nfs/dbraw/zinc/03/19/59/562031959.db2.gz XYVHGSPNHFSKDW-SSEXGKCCSA-N 1 0 532.706 5.773 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2cc(OC)cc(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556629 562032223 /nfs/dbraw/zinc/03/22/23/562032223.db2.gz DYHQEOVEHIOOKX-LJAQVGFWSA-N 1 0 552.693 5.302 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559037 562032638 /nfs/dbraw/zinc/03/26/38/562032638.db2.gz IKLCHMLRANLYKN-JGCGQSQUSA-N 1 0 578.731 5.824 1 0 KKAFRO Fc1ccc(Cn2c(NC3CC[NH+](CCCC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)nc3cccnc32)cc1 ZINC000029559520 562032830 /nfs/dbraw/zinc/03/28/30/562032830.db2.gz AGEMULNYOIYFTO-UHFFFAOYSA-N 1 0 569.675 7.386 1 0 KKAFRO COc1ccc(C(=O)Oc2ccc(CC[NH+]3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000029562013 562033483 /nfs/dbraw/zinc/03/34/83/562033483.db2.gz LNZSZWDBBNEULS-UHFFFAOYSA-N 1 0 578.688 6.571 1 0 KKAFRO COc1ccc(OCCCC[N@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029562967 562033704 /nfs/dbraw/zinc/03/37/04/562033704.db2.gz YLNVCIXBNIKTSY-WJOKGBTCSA-N 1 0 596.746 5.701 1 0 KKAFRO COc1ccc(OCCC[N@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563584 562033787 /nfs/dbraw/zinc/03/37/87/562033787.db2.gz HFVUTJSHZQSUHO-NDEPHWFRSA-N 1 0 552.718 5.814 1 0 KKAFRO C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(C(F)(F)F)cc4)nc3n2)CC1 ZINC000029565018 562034185 /nfs/dbraw/zinc/03/41/85/562034185.db2.gz PFCYMLKAPXNHFU-UHFFFAOYSA-N 1 0 633.506 6.711 1 0 KKAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000029567703 562034735 /nfs/dbraw/zinc/03/47/35/562034735.db2.gz PRENICXUXBJNOT-LJAQVGFWSA-N 1 0 574.703 5.678 1 0 KKAFRO CCn1c2ccccc2nc1NC1CC[NH+](CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1 ZINC000029567815 562034749 /nfs/dbraw/zinc/03/47/49/562034749.db2.gz QDDDZNHJRQUTLP-UHFFFAOYSA-N 1 0 509.698 5.397 1 0 KKAFRO COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633579 562039260 /nfs/dbraw/zinc/03/92/60/562039260.db2.gz YSQMDAMVSWNHJK-MUUNZHRXSA-N 1 0 590.573 6.285 1 0 KKAFRO CC(C)C[C@@H]1NC(=O)C2(CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O ZINC000034315726 562038712 /nfs/dbraw/zinc/03/87/12/562038712.db2.gz ZQTRWSUPLBZZJQ-LJAQVGFWSA-N 1 0 511.666 5.387 1 0 KKAFRO CC(C)(C)c1ccc(OP(=O)(Oc2ccc(C(C)(C)C)cc2)[C@@H](NC(=O)OCc2ccccc2)c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000034633583 562039402 /nfs/dbraw/zinc/03/94/02/562039402.db2.gz AKRYWPTVGWOAHW-JGCGQSQUSA-N 1 0 642.737 8.863 1 0 KKAFRO CC(=O)OC[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000034689171 562039638 /nfs/dbraw/zinc/03/96/38/562039638.db2.gz LSDCEJWALDHZKK-ULZCMHILSA-N 1 0 531.656 5.871 1 0 KKAFRO NC(=[NH2+])Nc1ccc([C@@H](NC(=O)OCc2ccccc2)P(=O)(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)cc1 ZINC000034717878 562039999 /nfs/dbraw/zinc/03/99/99/562039999.db2.gz CXIZSJWDKLZFNQ-UMSFTDKQSA-N 1 0 630.641 8.574 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)cc1 ZINC000034802882 562042223 /nfs/dbraw/zinc/04/22/23/562042223.db2.gz QDFXXYFSIRQYJV-UHFFFAOYSA-N 1 0 583.861 8.333 1 0 KKAFRO CCCCCc1ccc(C(=O)N(CCN(CC)CC[NH+](CC)CC)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802850 562042251 /nfs/dbraw/zinc/04/22/51/562042251.db2.gz UQPYSPNQGHBAMT-UHFFFAOYSA-N 1 0 571.806 7.121 1 0 KKAFRO C[C@@H](O)[C@H](CC[N@@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804355 562043172 /nfs/dbraw/zinc/04/31/72/562043172.db2.gz LRBSYXWKXPQNJU-FSKFMFSLSA-N 1 0 554.575 6.034 1 0 KKAFRO CS(=O)(=O)N1CCC[C@H]([C@@H](CC[NH+]2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034804364 562043180 /nfs/dbraw/zinc/04/31/80/562043180.db2.gz MTVVJDHGBGCJKF-RPLLCQBOSA-N 1 0 657.721 6.079 1 0 KKAFRO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1ccc(C(C)(C)C)cc1 ZINC000034983162 562044182 /nfs/dbraw/zinc/04/41/82/562044182.db2.gz JSLFPRZIKITLJX-UHFFFAOYSA-N 1 0 506.532 7.211 1 0 KKAFRO Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3CN(CCc3ccccn3)CC4)CC2)c1 ZINC000036093031 562047004 /nfs/dbraw/zinc/04/70/04/562047004.db2.gz LHEHOKKOUQZWGF-UHFFFAOYSA-N 1 0 514.117 5.503 1 0 KKAFRO CC(C)[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036089469 562047055 /nfs/dbraw/zinc/04/70/55/562047055.db2.gz PRDAXZPQPYWOJJ-UHFFFAOYSA-N 1 0 508.453 5.894 1 0 KKAFRO CCOC(=O)C1CCN(C(=[NH2+])c2ccc(C(=O)Nc3c(OC)cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c(F)c2)CC1 ZINC000036126775 562047606 /nfs/dbraw/zinc/04/76/06/562047606.db2.gz TXCJLTAYFFGNRE-UHFFFAOYSA-N 1 0 616.477 5.641 1 0 KKAFRO C[C@@H]1CC([NH+]2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000036126805 562047718 /nfs/dbraw/zinc/04/77/18/562047718.db2.gz OUUFVLURDMTSII-SEXOINJZSA-N 1 0 507.078 6.009 1 0 KKAFRO CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000036160542 562048536 /nfs/dbraw/zinc/04/85/36/562048536.db2.gz VTGXHIKOJDKECN-ZQWAWDFXSA-N 1 0 610.843 7.833 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)cc1C(F)(F)F ZINC000036161400 562048661 /nfs/dbraw/zinc/04/86/61/562048661.db2.gz MYDUUVNJCVEJIG-WNCULLNHSA-N 1 0 579.729 6.029 1 0 KKAFRO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CC[NH+](CC4CCCC4)CC3)cn2)c(F)c1 ZINC000036161560 562048771 /nfs/dbraw/zinc/04/87/71/562048771.db2.gz NQAKFHXBDFXYKI-UHFFFAOYSA-N 1 0 548.634 5.374 1 0 KKAFRO O=C(C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000036161710 562048906 /nfs/dbraw/zinc/04/89/06/562048906.db2.gz LQXRODXTSWTMOG-HKBQPEDESA-N 1 0 541.717 5.552 1 0 KKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175840 562049156 /nfs/dbraw/zinc/04/91/56/562049156.db2.gz BTXWNKQQWSHJIB-SANMLTNESA-N 1 0 603.184 7.392 1 0 KKAFRO CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1 ZINC000036176894 562049340 /nfs/dbraw/zinc/04/93/40/562049340.db2.gz SMWFHLHWOOWYAP-UHFFFAOYSA-N 1 0 514.678 5.481 1 0 KKAFRO c1ccc(COc2ccc3c(c2)[nH]nc3-c2nc3cc(N4CCC([NH+]5CCCCC5)CC4)ccc3[nH]2)cc1 ZINC000036176928 562049350 /nfs/dbraw/zinc/04/93/50/562049350.db2.gz VDSFUPFAWFPWHF-UHFFFAOYSA-N 1 0 506.654 6.140 1 0 KKAFRO CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(C[NH2+][C@@H](C)C(C)(C)C)[nH]4)s3)cc(C)c2C)CC1 ZINC000036184846 562050435 /nfs/dbraw/zinc/05/04/35/562050435.db2.gz QTCWXZNSCOYHQN-NRFANRHFSA-N 1 0 610.850 5.461 1 0 KKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)N(C)CC[NH+]4CCCC4)cc3)nnc2c1 ZINC000035874215 562045614 /nfs/dbraw/zinc/04/56/14/562045614.db2.gz GGNXJUYBBQRVPK-UHFFFAOYSA-N 1 0 530.698 5.077 1 0 KKAFRO COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000035903990 562045632 /nfs/dbraw/zinc/04/56/32/562045632.db2.gz CIPPBSIONMAVDW-NSHDSACASA-N 1 0 506.431 5.145 1 0 KKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000035937449 562045759 /nfs/dbraw/zinc/04/57/59/562045759.db2.gz HEGZJKJQJWLLRF-CKUSHTOWSA-N 1 0 527.496 5.362 1 0 KKAFRO COc1ccc(Oc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1 ZINC000036241942 562052131 /nfs/dbraw/zinc/05/21/31/562052131.db2.gz MDIHGDNYULKXLQ-UHFFFAOYSA-N 1 0 522.653 6.362 1 0 KKAFRO CC[NH+](CC)C[C@@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284989 562053618 /nfs/dbraw/zinc/05/36/18/562053618.db2.gz AYFBIKAUTDMRMP-VOTWKOMSSA-N 1 0 622.298 5.619 1 0 KKAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN([C@H](C[NH2+]C2CCC2)CC2CCCCC2)CC1 ZINC000036284912 562053626 /nfs/dbraw/zinc/05/36/26/562053626.db2.gz QDOQJKGCPCRRMX-HWIYEDSRSA-N 1 0 620.282 5.420 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285430 562054054 /nfs/dbraw/zinc/05/40/54/562054054.db2.gz DCXQILJCXFVJDJ-QFIPXVFZSA-N 1 0 516.435 6.340 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(OC)c(OC)c2Cl)CC1 ZINC000036285413 562054081 /nfs/dbraw/zinc/05/40/81/562054081.db2.gz RQLADVKDBKSJGJ-GKVSMKOHSA-N 1 0 542.042 5.703 1 0 KKAFRO CC[C@@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285433 562054082 /nfs/dbraw/zinc/05/40/82/562054082.db2.gz DISYLWQACBWOEF-GYCJOSAFSA-N 1 0 516.435 6.340 1 0 KKAFRO COCC[NH2+][C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285454 562054255 /nfs/dbraw/zinc/05/42/55/562054255.db2.gz SKULFSWLBZAOSU-VWLOTQADSA-N 1 0 574.515 6.617 1 0 KKAFRO CC[C@H](C)[C@H](NCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285604 562054378 /nfs/dbraw/zinc/05/43/78/562054378.db2.gz HXYRJQCIJOWCGS-QYBDOPJKSA-N 1 0 559.504 5.929 1 0 KKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285885 562054491 /nfs/dbraw/zinc/05/44/91/562054491.db2.gz LHBCSPYLZWEXEG-HXOBKFHXSA-N 1 0 530.462 6.586 1 0 KKAFRO C[N@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324249 562055394 /nfs/dbraw/zinc/05/53/94/562055394.db2.gz FLLDRPOJCLGUHA-KHUIQGCPSA-N 1 0 514.510 5.766 1 0 KKAFRO O=C1CC[C@@H](C[NH2+][C@@H]2CC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]2c2ccccc2)N1 ZINC000036324245 562055410 /nfs/dbraw/zinc/05/54/10/562055410.db2.gz XFSJGZVARSALDD-KGSLCBSSSA-N 1 0 500.483 5.424 1 0 KKAFRO Cc1cccc(NC(=O)NCc2cc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)cs2)c1 ZINC000036338820 562057334 /nfs/dbraw/zinc/05/73/34/562057334.db2.gz FGUXNWBQWGWWLI-UHFFFAOYSA-N 1 0 512.683 5.087 1 0 KKAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000036351486 562058547 /nfs/dbraw/zinc/05/85/47/562058547.db2.gz GETZJGVTPRSRQI-URLMMPGGSA-N 1 0 584.727 6.614 1 0 KKAFRO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCCCC3)C2)C1 ZINC000036351591 562058609 /nfs/dbraw/zinc/05/86/09/562058609.db2.gz YZQZQKIYXFIBBS-JSOSNVBQSA-N 1 0 598.754 7.005 1 0 KKAFRO O=C(CN1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351653 562058808 /nfs/dbraw/zinc/05/88/08/562058808.db2.gz AOGVTUDRZQZUJZ-MGBGTMOVSA-N 1 0 631.475 9.160 1 0 KKAFRO CCC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351622 562058852 /nfs/dbraw/zinc/05/88/52/562058852.db2.gz BDVXIJYOMPKSRZ-UCVANPEUSA-N 1 0 556.126 5.419 1 0 KKAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]CCCC5CCCCC5)C4)C3)cc2)c(C)c1 ZINC000036351687 562058992 /nfs/dbraw/zinc/05/89/92/562058992.db2.gz NGDGQTMKTNRUAM-IHLOFXLRSA-N 1 0 560.783 5.961 1 0 KKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C ZINC000036351771 562059236 /nfs/dbraw/zinc/05/92/36/562059236.db2.gz NOHYKQAGOKRKCR-UHFFFAOYSA-N 1 0 548.687 7.232 1 0 KKAFRO CCOc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCC(C)(C)CC5)C4)C3)s2)cc1 ZINC000036351831 562059290 /nfs/dbraw/zinc/05/92/90/562059290.db2.gz UZCFIKNKDKLQBQ-RPBOFIJWSA-N 1 0 552.785 5.713 1 0 KKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[NH2+]C5CCCC5)CC4)cc2)CC3)cc1 ZINC000036415213 562060682 /nfs/dbraw/zinc/06/06/82/562060682.db2.gz PHCYXJMLLYDVJX-UHFFFAOYSA-N 1 0 524.587 5.666 1 0 KKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1cccc2ccccc21 ZINC000036476115 562060948 /nfs/dbraw/zinc/06/09/48/562060948.db2.gz ASMDMTBAOYMOCC-IWMITWMQSA-N 1 0 511.902 6.740 1 0 KKAFRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](/C=C/c1ccccc1)NC(=O)C1CCC(C2CCCCC2)CC1 ZINC000036751241 562061153 /nfs/dbraw/zinc/06/11/53/562061153.db2.gz JNGAIJYLBCTUCM-UQOHTKFGSA-N 1 0 529.725 5.887 1 0 KKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@@H+]1CCC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000038146587 562065296 /nfs/dbraw/zinc/06/52/96/562065296.db2.gz WGQCVUUUJSQMIV-WIOPSUGQSA-N 1 0 581.750 6.823 3 0 KKAFRO C[C@H]1C[N@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147766 562065553 /nfs/dbraw/zinc/06/55/53/562065553.db2.gz FFSVHQSMPSUXFC-CFCKTANGSA-N 1 0 522.733 6.374 1 0 KKAFRO C[NH+]1CCN(Cc2ccc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3n2)CC1 ZINC000038149729 562066217 /nfs/dbraw/zinc/06/62/17/562066217.db2.gz YLNMKOAPZKIZAU-UHFFFAOYSA-N 1 0 502.043 5.063 1 0 KKAFRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1 ZINC000038149718 562066236 /nfs/dbraw/zinc/06/62/36/562066236.db2.gz AADSFGMHGXEQDC-JOCHJYFZSA-N 1 0 593.130 5.286 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150636 562066309 /nfs/dbraw/zinc/06/63/09/562066309.db2.gz RGFNFGSQVBRRIT-CCNCKIRNSA-N 1 0 564.767 6.058 1 0 KKAFRO CC(C)CC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150652 562066454 /nfs/dbraw/zinc/06/64/54/562066454.db2.gz GRZGPYMYCGWTKZ-RNCAPKPVSA-N 1 0 536.713 5.421 1 0 KKAFRO CC(C)CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150649 562066466 /nfs/dbraw/zinc/06/64/66/562066466.db2.gz SIZIBPAHPIUMOL-RNCAPKPVSA-N 1 0 536.713 5.421 1 0 KKAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC([S@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156575 562068398 /nfs/dbraw/zinc/06/83/98/562068398.db2.gz MIEWISRGDFUMGE-LHEWISCISA-N 1 0 582.569 5.386 1 0 KKAFRO O=Cc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157901 562069725 /nfs/dbraw/zinc/06/97/25/562069725.db2.gz YGOFXMYTDHDBAN-UHFFFAOYSA-N 1 0 534.075 6.421 1 0 KKAFRO C[NH+](C)CCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000038362563 562071278 /nfs/dbraw/zinc/07/12/78/562071278.db2.gz ZIHOWUDDUIKPMZ-UHFFFAOYSA-N 1 0 516.902 5.227 1 0 KKAFRO O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)C[C@@H]2C[NH2+]C[C@H]1N2)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000039260435 562073013 /nfs/dbraw/zinc/07/30/13/562073013.db2.gz SXZFQYPWEANJGQ-SKCUWOTOSA-N 1 0 646.993 7.215 1 0 in-vitro KKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368863 562073218 /nfs/dbraw/zinc/07/32/18/562073218.db2.gz BEOPGQZLRRYYIV-LLGCZPIVSA-N 1 0 501.711 5.925 1 0 KKAFRO CCN(C(=O)C(C)(C)c1ccccc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040380429 562073437 /nfs/dbraw/zinc/07/34/37/562073437.db2.gz HUSIYLIXVFOCGJ-GIGWZHCTSA-N 1 0 503.731 5.713 1 0 KKAFRO COC(=O)[C@](CCC[NH+]1CCN(Cc2ccccc2F)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040394444 562074236 /nfs/dbraw/zinc/07/42/36/562074236.db2.gz TZOXLDGQHYFMCA-SANMLTNESA-N 1 0 505.472 5.253 1 0 KKAFRO C[C@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395450 562074420 /nfs/dbraw/zinc/07/44/20/562074420.db2.gz RKTACIMPZTWTHT-AVKCZOBUSA-N 1 0 523.504 6.145 1 0 KKAFRO CCC(=O)O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040421929 562075898 /nfs/dbraw/zinc/07/58/98/562075898.db2.gz MZRKRGQEXLPPNW-PMERELPUSA-N 1 0 521.652 5.675 1 0 KKAFRO O=C(N1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1)C(F)(F)F ZINC000040430001 562076743 /nfs/dbraw/zinc/07/67/43/562076743.db2.gz KLGLMVXXCWGYNY-DEOSSOPVSA-N 1 0 509.410 5.784 1 0 KKAFRO CNC(=O)Nc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504838 562077625 /nfs/dbraw/zinc/07/76/25/562077625.db2.gz GQCCOGCEQBQUAD-UHFFFAOYSA-N 1 0 509.597 5.133 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040505277 562077667 /nfs/dbraw/zinc/07/76/67/562077667.db2.gz JNALAIQAJMAAIL-UHFFFAOYSA-N 1 0 523.620 5.983 1 0 KKAFRO CC1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000040563991 562077774 /nfs/dbraw/zinc/07/77/74/562077774.db2.gz GWEWFPMLAGKWMJ-FQLXRVMXSA-N 1 0 534.144 6.978 1 0 KKAFRO Cc1ccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000040584943 562078403 /nfs/dbraw/zinc/07/84/03/562078403.db2.gz VOVWYRPVUVLZTL-UKTHLTGXSA-N 1 0 517.501 5.841 1 0 KKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@](O)(Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040817944 562079844 /nfs/dbraw/zinc/07/98/44/562079844.db2.gz HZHVNKHPWFQMOV-WJOKGBTCSA-N 1 0 523.620 5.787 1 0 KKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000040847786 562080414 /nfs/dbraw/zinc/08/04/14/562080414.db2.gz ZEWCABNLZQHYMM-DEOSSOPVSA-N 1 0 516.473 5.354 1 0 KKAFRO CC(C)(C)[NH2+]Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040860071 562080692 /nfs/dbraw/zinc/08/06/92/562080692.db2.gz BOOADBNNIFRSQO-UHFFFAOYSA-N 1 0 519.493 7.361 1 0 KKAFRO C[N@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000040879977 562082431 /nfs/dbraw/zinc/08/24/31/562082431.db2.gz HBYBQDJZTXGWDU-UHFFFAOYSA-N 1 0 531.696 8.792 1 0 KKAFRO Cc1cc([C@]([NH3+])(c2cncn2C)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)ccc1Cl ZINC000040893045 562082904 /nfs/dbraw/zinc/08/29/04/562082904.db2.gz IABMYASLJYYTRX-MUUNZHRXSA-N 1 0 503.433 5.805 1 0 KKAFRO C[NH+]1CCN(Cc2ccc(Nc3nc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)cc2)CC1 ZINC000042805350 562089191 /nfs/dbraw/zinc/08/91/91/562089191.db2.gz ANGBZYNNANAOBU-UHFFFAOYSA-N 1 0 590.128 6.692 1 0 KKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040897426 562083165 /nfs/dbraw/zinc/08/31/65/562083165.db2.gz MOJUGRLTBSXVQD-UHFFFAOYSA-N 1 0 508.493 6.167 1 0 KKAFRO Cc1ccccc1-c1cccc(C[NH+]2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)c1 ZINC000040953874 562086394 /nfs/dbraw/zinc/08/63/94/562086394.db2.gz QQZNFBADZFMIHT-UHFFFAOYSA-N 1 0 524.684 7.097 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2C2CC2)C1 ZINC000040954203 562086404 /nfs/dbraw/zinc/08/64/04/562086404.db2.gz UREWEIQWMRXCFY-AZKZNFPZSA-N 1 0 520.558 5.940 1 0 KKAFRO CCC[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000040954197 562086429 /nfs/dbraw/zinc/08/64/29/562086429.db2.gz GAWLGGFBSVEUMN-ASLXYRGWSA-N 1 0 522.574 6.330 1 0 KKAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(F)cc(Cl)c2)C1 ZINC000040976788 562087355 /nfs/dbraw/zinc/08/73/55/562087355.db2.gz JFHNBTGULOSJBJ-ZEZZXZOMSA-N 1 0 526.137 5.463 1 0 KKAFRO O=C(Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)c1)c1c(F)cccc1F ZINC000042803908 562088444 /nfs/dbraw/zinc/08/84/44/562088444.db2.gz XYQKWUPJOALDBD-UHFFFAOYSA-N 1 0 601.661 7.328 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCC1(c3ccc(Cl)c(Cl)c3)CN(S(=O)(=O)c3ccccc3)C1)CC2 ZINC000042804472 562088843 /nfs/dbraw/zinc/08/88/43/562088843.db2.gz TVSZCWAGXHBDIO-UHFFFAOYSA-N 1 0 613.611 5.144 1 0 KKAFRO O=C(c1ccco1)N1CCC(OCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000042805082 562088990 /nfs/dbraw/zinc/08/89/90/562088990.db2.gz FVVHYUGPXSRXAE-UHFFFAOYSA-N 1 0 597.543 5.163 1 0 KKAFRO CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cc(O)ccc3-c3cccc(C[NH2+]C)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571432 560069748 /nfs/dbraw/zinc/06/97/48/560069748.db2.gz DNKJPOFLPMRPOU-CZUCYGMVSA-N 1 0 591.748 7.747 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567555 560070388 /nfs/dbraw/zinc/07/03/88/560070388.db2.gz YFHKZSRMJDYNGW-WYOOIXGGSA-N 1 0 588.701 5.577 1 0 biogenic,in-vitro KKAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567611 560070392 /nfs/dbraw/zinc/07/03/92/560070392.db2.gz XLKAGNUCJVEPSX-IEWVHIKDSA-N 1 0 561.675 5.652 1 0 biogenic,in-vitro KKAFRO CCCCC[C@H]1CCC[C@H]([C@H](c2ccc(C=O)cc2)[C@H]2C[C@@H]([C@@H]3CC[C@@H]4[C@@H](CC[C@@H]4O)[NH2+]3)[C@@]3(O)CN23)C1 ZINC000085547684 560072316 /nfs/dbraw/zinc/07/23/16/560072316.db2.gz MIBZPKVSCYRQDC-WFUXVGTBSA-N 1 0 508.747 5.254 1 0 biogenic,in-vitro KKAFRO CCCC=C1OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c1cccc2CCC[NH3+])[C@H]3CCC)[C@@H]1C=CC[C@@H](C)[C@@H]1CC4 ZINC000085531959 560073078 /nfs/dbraw/zinc/07/30/78/560073078.db2.gz WXZHDQFBBHIKBG-RMCBWZQBSA-N 1 0 555.759 7.300 1 0 biogenic,in-vitro KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000043064722 562645319 /nfs/dbraw/zinc/64/53/19/562645319.db2.gz MYXKMTKFUPOTOZ-YTTGMZPUSA-N 1 0 630.899 5.804 1 0 KKAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000043066482 562645337 /nfs/dbraw/zinc/64/53/37/562645337.db2.gz AVXNZTZDFIBZSK-PMERELPUSA-N 1 0 567.055 7.052 1 0 KKAFRO Cc1nccn1C[C@@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070419 562645529 /nfs/dbraw/zinc/64/55/29/562645529.db2.gz DSZJLBHBEBATRS-GDLZYMKVSA-N 1 0 549.641 6.161 1 0 KKAFRO C[C@@H]1CCC[N@@H+]1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079503 562645781 /nfs/dbraw/zinc/64/57/81/562645781.db2.gz VLJYRARAGISBAK-CQSZACIVSA-N 1 0 516.299 5.109 1 0 KKAFRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079725 562645830 /nfs/dbraw/zinc/64/58/30/562645830.db2.gz KYIFZXJUWBRQGE-RTWAWAEBSA-N 1 0 550.497 5.375 1 0 KKAFRO [NH2+]=C1Nc2cc(F)c3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171643 562646569 /nfs/dbraw/zinc/64/65/69/562646569.db2.gz MEJGMIGRSQIMGB-LJAQVGFWSA-N 1 0 532.704 6.826 1 0 KKAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCCCC3)c2)CC1 ZINC000043204149 562647012 /nfs/dbraw/zinc/64/70/12/562647012.db2.gz VHSQRCDULUNORA-UHFFFAOYSA-N 1 0 558.677 6.181 1 0 KKAFRO COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CC[NH2+]CC3)cc2)C(=O)COc2ccccc2)c1 ZINC000043323098 562647755 /nfs/dbraw/zinc/64/77/55/562647755.db2.gz MLLUTAADKDPIIJ-UHFFFAOYSA-N 1 0 549.715 5.418 1 0 KKAFRO COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043397010 562648175 /nfs/dbraw/zinc/64/81/75/562648175.db2.gz HBQUUZVSFQDTPW-HKBQPEDESA-N 1 0 555.744 6.949 1 0 KKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043649791 562650663 /nfs/dbraw/zinc/65/06/63/562650663.db2.gz WMFMRACDWIKGGN-ZDOIZPDXSA-N 1 0 500.812 6.437 1 0 KKAFRO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000044005133 562651395 /nfs/dbraw/zinc/65/13/95/562651395.db2.gz VRGCBLCNWHWXFW-BVAGGSTKSA-N 1 0 584.602 6.267 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000044031779 562651607 /nfs/dbraw/zinc/65/16/07/562651607.db2.gz XXFVLRQBOFTRPY-YRNVUSSQSA-N 1 0 586.391 7.230 1 0 KKAFRO CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044086973 562652301 /nfs/dbraw/zinc/65/23/01/562652301.db2.gz XEAMFNQXXHLSLU-FZUIVCRBSA-N 1 0 634.214 5.789 1 0 KKAFRO Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3ccn12 ZINC000044304952 562653319 /nfs/dbraw/zinc/65/33/19/562653319.db2.gz LTQUYIDRVVZZIM-UHFFFAOYSA-N 1 0 577.696 6.480 1 0 KKAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2c[nH]nc21 ZINC000044307281 562653970 /nfs/dbraw/zinc/65/39/70/562653970.db2.gz IMDZWNUQVIIKIH-JGCGQSQUSA-N 1 0 624.786 5.117 1 0 KKAFRO NC(=[NH2+])NCCCn1c(C(=O)Nc2cccc3ccccc32)cc2cc(NC(=O)CCc3ccc(O)cc3)ccc21 ZINC000044307990 562654162 /nfs/dbraw/zinc/65/41/62/562654162.db2.gz VRUONYBEUJVCQZ-UHFFFAOYSA-N 1 0 548.647 5.197 1 0 KKAFRO COc1ccc(F)c(CCC[C@@H]2CC[C@@H](CC[NH2+]CCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351704 562654823 /nfs/dbraw/zinc/65/48/23/562654823.db2.gz ILYANWOXFYOOPX-FZSDTKOLSA-N 1 0 635.821 6.701 1 0 KKAFRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000044359466 562655493 /nfs/dbraw/zinc/65/54/93/562655493.db2.gz XFIZOCZCSYHAMP-UHFFFAOYSA-N 1 0 606.554 6.419 1 0 KKAFRO C[NH+](C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044361139 562655708 /nfs/dbraw/zinc/65/57/08/562655708.db2.gz KTAGYIIOIMNXTN-UHFFFAOYSA-N 1 0 537.535 5.785 1 0 KKAFRO CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000044386543 562655944 /nfs/dbraw/zinc/65/59/44/562655944.db2.gz GMBUMIBZLYNLLU-IRPSRAIASA-N 1 0 539.145 5.682 1 0 KKAFRO NC(=O)C1(c2ccc(OC(F)(F)F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000044404547 562656454 /nfs/dbraw/zinc/65/64/54/562656454.db2.gz RDTPBXFTWBKENH-WEWIIKPSSA-N 1 0 549.420 7.032 1 0 KKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC000044418284 562657269 /nfs/dbraw/zinc/65/72/69/562657269.db2.gz YMDOMKSTYDVLJM-ZGIBFIJWSA-N 1 0 561.170 6.192 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[N@@H+]2CC[C@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045167452 562658028 /nfs/dbraw/zinc/65/80/28/562658028.db2.gz IBMGAYKORIZRPI-YZLCULJHSA-N 1 0 526.508 6.013 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1OCC[NH+]1CCCC1 ZINC000045167712 562658093 /nfs/dbraw/zinc/65/80/93/562658093.db2.gz MJBBMDAKKVTGTK-UHFFFAOYSA-N 1 0 508.449 7.177 1 0 KKAFRO C[N@@H+]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c(N3CCCCC3)cc2CC1 ZINC000045167882 562658097 /nfs/dbraw/zinc/65/80/97/562658097.db2.gz WCYXCHVZMPSMEI-UHFFFAOYSA-N 1 0 516.132 5.890 1 0 KKAFRO CCCC[C@H]([NH3+])COc1cccc2c(-c3ccncc3)c(-c3cccc(NC(=O)Nc4ccccc4)c3)nn21 ZINC000045168577 562658151 /nfs/dbraw/zinc/65/81/51/562658151.db2.gz DLCTVAZDKCXTQZ-DEOSSOPVSA-N 1 0 520.637 6.604 1 0 KKAFRO COc1cccc(C2(C)CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000045188877 562658310 /nfs/dbraw/zinc/65/83/10/562658310.db2.gz DTYAVJGRMLQBRS-UHFFFAOYSA-N 1 0 534.100 6.165 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)NCCc2ccccc2)CC1 ZINC000045190029 562658446 /nfs/dbraw/zinc/65/84/46/562658446.db2.gz MTPYGMFKUXBRPN-ZRDIBKRKSA-N 1 0 531.528 5.299 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000045190340 562658511 /nfs/dbraw/zinc/65/85/11/562658511.db2.gz MCSWKBLZUXCCRL-UHFFFAOYSA-N 1 0 519.611 7.243 1 0 KKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCC(c2c4ccccc4[nH]c2-c2ccc(F)cc2)CC1)CCC3 ZINC000045191515 562658592 /nfs/dbraw/zinc/65/85/92/562658592.db2.gz NPUZQNXMTNUZCP-UUWRZZSWSA-N 1 0 521.680 7.550 1 0 KKAFRO FC(F)(F)c1ccc(NC(=S)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000045196061 562658927 /nfs/dbraw/zinc/65/89/27/562658927.db2.gz ZXHJVLRVZMOCHB-UHFFFAOYSA-N 1 0 500.634 6.475 1 0 KKAFRO CN1CC[NH+](Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4cccnc4)cc3)c2)CC1 ZINC000045201192 562658982 /nfs/dbraw/zinc/65/89/82/562658982.db2.gz ZULNNQCAJIIMNP-UHFFFAOYSA-N 1 0 501.634 6.580 1 0 KKAFRO COc1cc2c(cn1)[nH]cc2C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045201097 562658988 /nfs/dbraw/zinc/65/89/88/562658988.db2.gz JOXSFSPRAFFADQ-HWKANZROSA-N 1 0 527.496 6.010 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000045201244 562659002 /nfs/dbraw/zinc/65/90/02/562659002.db2.gz LSXDEHPAPIIKDD-UHFFFAOYSA-N 1 0 523.658 6.572 1 0 KKAFRO CCc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045201274 562659025 /nfs/dbraw/zinc/65/90/25/562659025.db2.gz OSSGLTHBABCNRV-UHFFFAOYSA-N 1 0 519.089 5.487 1 0 KKAFRO COc1cc(NCC2(C[NH2+]Cc3cn(Cc4ccccc4)c4ccccc34)CCCCC2)nc2ccccc21 ZINC000045201698 562659064 /nfs/dbraw/zinc/65/90/64/562659064.db2.gz HYPQPFBYCHZLJN-UHFFFAOYSA-N 1 0 518.705 7.399 1 0 KKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(CNC(=O)c2ccc(O)c(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045201458 562659066 /nfs/dbraw/zinc/65/90/66/562659066.db2.gz POHIRIXMUOOOAG-UHFFFAOYSA-N 1 0 525.571 5.224 1 0 KKAFRO CCCCC[N@@H+]1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210386 562659271 /nfs/dbraw/zinc/65/92/71/562659271.db2.gz LAADWCKHEFLRPP-JOCHJYFZSA-N 1 0 511.610 5.281 1 0 KKAFRO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229948 562659596 /nfs/dbraw/zinc/65/95/96/562659596.db2.gz UMVQRVFLSLPAEH-BDTNDASRSA-N 1 0 521.464 5.419 1 0 KKAFRO CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CC[NH+]([C@H](C)c4ccccc4)CC3)c2C1=O ZINC000045245328 562659721 /nfs/dbraw/zinc/65/97/21/562659721.db2.gz JGIWRIFEXHLPDP-PXDATVDWSA-N 1 0 513.638 5.334 1 0 KKAFRO C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13 ZINC000045260831 562660043 /nfs/dbraw/zinc/66/00/43/562660043.db2.gz YGDGBZQTGCWFHN-BGWNEDDSSA-N 1 0 502.396 5.590 1 0 in-vivo KKAFRO COc1cc2[nH+]ccc(N(C)c3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000045299233 562660384 /nfs/dbraw/zinc/66/03/84/562660384.db2.gz PIBYAUKKXDSVPW-UHFFFAOYSA-N 1 0 515.545 5.633 1 0 KKAFRO CNC(=O)NC1CC[NH+](Cc2c(-c3cccs3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000045301636 562660538 /nfs/dbraw/zinc/66/05/38/562660538.db2.gz AOISWWKEWHSPFF-FQEVSTJZSA-N 1 0 533.742 5.555 1 0 KKAFRO Cc1ccc(NC(=O)N2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045302215 562660579 /nfs/dbraw/zinc/66/05/79/562660579.db2.gz GWPHXQKLCCCAPJ-FMIVXFBMSA-N 1 0 531.528 6.150 1 0 KKAFRO CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302198 562660585 /nfs/dbraw/zinc/66/05/85/562660585.db2.gz FTQVYVFAAPRQJU-OAQYLSRUSA-N 1 0 516.629 6.863 1 0 KKAFRO CCCCCC(=O)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045302353 562660600 /nfs/dbraw/zinc/66/06/00/562660600.db2.gz VIJJLJBURAKXBH-LJAQVGFWSA-N 1 0 517.541 6.898 1 0 KKAFRO O=S(=O)(Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045302177 562660608 /nfs/dbraw/zinc/66/06/08/562660608.db2.gz VOUSMHMYYCKHSK-UHFFFAOYSA-N 1 0 519.711 5.773 1 0 KKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045303230 562660806 /nfs/dbraw/zinc/66/08/06/562660806.db2.gz TYFURJSPTLEWNQ-JXMROGBWSA-N 1 0 509.616 6.708 1 0 KKAFRO CC[NH+](CC)CCNc1nccc(N(C)c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)n1 ZINC000045303020 562660807 /nfs/dbraw/zinc/66/08/07/562660807.db2.gz RCTGTGDIXOJQDV-UHFFFAOYSA-N 1 0 519.547 5.800 1 0 KKAFRO O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045321038 562661042 /nfs/dbraw/zinc/66/10/42/562661042.db2.gz XIKHRUHXSORDSD-AATRIKPKSA-N 1 0 513.579 6.457 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000045322100 562661046 /nfs/dbraw/zinc/66/10/46/562661046.db2.gz PCDAUNNOONGPHS-ZRDIBKRKSA-N 1 0 509.522 5.389 1 0 KKAFRO C[NH+](C)CCCn1c(C(=O)OC(c2ccccc2)c2ccccc2)cc2cc(OCc3ccccc3)ccc21 ZINC000045322616 562661099 /nfs/dbraw/zinc/66/10/99/562661099.db2.gz HMZSUVLKLBIANQ-UHFFFAOYSA-N 1 0 518.657 7.118 1 0 KKAFRO O=C(c1ccccc1)N1COC[C@](CCN2CCC([NH+]3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045323665 562661172 /nfs/dbraw/zinc/66/11/72/562661172.db2.gz RCOHBGZMIZEYKM-MUUNZHRXSA-N 1 0 516.513 5.312 1 0 KKAFRO CSc1ccc2c(c1)[C@@H](OCC[NH+]1CCC(O)(c3ccc(Cl)cc3)CC1)Cc1ccccc1S2 ZINC000045338282 562661478 /nfs/dbraw/zinc/66/14/78/562661478.db2.gz WDOGWXUNKBXJDV-VWLOTQADSA-N 1 0 512.140 6.811 1 0 KKAFRO [NH2+]=C(Cc1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO ZINC000045350148 562661726 /nfs/dbraw/zinc/66/17/26/562661726.db2.gz JNHYBMUOQMRGOE-UHFFFAOYSA-N 1 0 512.372 5.414 1 0 KKAFRO COc1cc(OC)cc([C@@H](c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000045358059 562661946 /nfs/dbraw/zinc/66/19/46/562661946.db2.gz RPLRXHLXRQIHHQ-UUWRZZSWSA-N 1 0 520.673 6.160 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCC[NH+](C)C)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045367639 562662150 /nfs/dbraw/zinc/66/21/50/562662150.db2.gz LBDCZIYLMXUQQK-UHFFFAOYSA-N 1 0 503.643 5.225 1 0 KKAFRO Cc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373268 562662273 /nfs/dbraw/zinc/66/22/73/562662273.db2.gz DJTKGWCOGVBRHI-PAWAISHBSA-N 1 0 502.058 5.145 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045373420 562662276 /nfs/dbraw/zinc/66/22/76/562662276.db2.gz JRXCTWLCXFMYNA-UHFFFAOYSA-N 1 0 515.654 5.369 1 0 KKAFRO CC[C@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)c(N4CC[NH+](CC5CC5)CC4)c3)cc2)cc1 ZINC000048307296 562662865 /nfs/dbraw/zinc/66/28/65/562662865.db2.gz TUUZZFRUFZPDTB-QHCPKHFHSA-N 1 0 576.763 5.794 1 0 KKAFRO O=C(NC[C@H](CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000048307319 562662910 /nfs/dbraw/zinc/66/29/10/562662910.db2.gz BDYNCVUPHHOGKO-QHCPKHFHSA-N 1 0 535.519 7.650 1 0 KKAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C(=C/c4ccc(Cl)cc4Cl)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048307329 562662913 /nfs/dbraw/zinc/66/29/13/562662913.db2.gz BESVQLANLXKVAK-KOHQIRCGSA-N 1 0 652.622 8.072 1 0 KKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000048307334 562662939 /nfs/dbraw/zinc/66/29/39/562662939.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 1 0 546.202 6.547 1 0 KKAFRO O=C(Cc1cccs1)N[C@H](CCC[NH+]1CCC(Oc2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000048307390 562663046 /nfs/dbraw/zinc/66/30/46/562663046.db2.gz CDYMPJXDLURXRZ-AREMUKBSSA-N 1 0 551.967 7.432 1 0 KKAFRO c1sc(C[NH2+]CCN2CCOCC2)nc1-c1ccc2c(c1)nccc2Nc1ccc(Oc2ccccc2)cc1 ZINC000048308777 562663120 /nfs/dbraw/zinc/66/31/20/562663120.db2.gz NALIJKYPYIIEPT-UHFFFAOYSA-N 1 0 537.689 6.316 1 0 KKAFRO CCCC[C@@H]1N(Cc2ccccc2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049016921 562663262 /nfs/dbraw/zinc/66/32/62/562663262.db2.gz OVAAQBKFWMSBDM-NDEPHWFRSA-N 1 0 517.714 5.954 1 0 KKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000049032727 562663357 /nfs/dbraw/zinc/66/33/57/562663357.db2.gz AWJOAMPQOUEKCN-KDYSTLNUSA-N 1 0 523.628 6.113 1 0 KKAFRO O=C(Nc1cccc(-c2cn3ccnc3c(NCC3CC[NH2+]CC3)n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000049021492 562663368 /nfs/dbraw/zinc/66/33/68/562663368.db2.gz OLQWTLPWZOPGNO-UHFFFAOYSA-N 1 0 509.536 5.471 1 0 KKAFRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn21 ZINC000049034354 562663500 /nfs/dbraw/zinc/66/35/00/562663500.db2.gz FBURAFZZOWGKPS-GOTSBHOMSA-N 1 0 506.585 5.171 1 0 KKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049841 562663761 /nfs/dbraw/zinc/66/37/61/562663761.db2.gz IHOVJSHWHKBKCL-QCDSWUKFSA-N 1 0 521.488 6.436 1 0 KKAFRO CC(C)[NH+](CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1)C(C)C ZINC000049053527 562663799 /nfs/dbraw/zinc/66/37/99/562663799.db2.gz IBWJCHNKSFDWMJ-HKBQPEDESA-N 1 0 501.623 6.422 1 0 KKAFRO C[NH+](C)Cc1ccccc1-c1cnn2c1nccc2-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000049053480 562663834 /nfs/dbraw/zinc/66/38/34/562663834.db2.gz ZREJACCVQDDLSA-UHFFFAOYSA-N 1 0 515.539 6.396 1 0 KKAFRO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072419 562664214 /nfs/dbraw/zinc/66/42/14/562664214.db2.gz ZHTRZMVAQXYXBW-VFNZBSSOSA-N 1 0 501.424 5.854 1 0 KKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049089954 562664460 /nfs/dbraw/zinc/66/44/60/562664460.db2.gz KZOTYEIWOWOSFS-UHFFFAOYSA-N 1 0 503.012 7.177 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cc2c[nH]nc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c-2n1 ZINC000049110370 562664520 /nfs/dbraw/zinc/66/45/20/562664520.db2.gz QDGJXOSRDOUWFQ-UHFFFAOYSA-N 1 0 511.001 5.145 1 0 KKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)c3nn(-c4ccccc4)nc3C)cc2)nc1 ZINC000049604914 562665066 /nfs/dbraw/zinc/66/50/66/562665066.db2.gz MVMJHOAWXCUOSF-UHFFFAOYSA-N 1 0 546.679 5.078 1 0 KKAFRO CCc1cn(CCc2ccccc2)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C(C)(C)CCCC(C)C)cc12 ZINC000049605039 562665258 /nfs/dbraw/zinc/66/52/58/562665258.db2.gz NMRXMDNMWNZSRC-PUDHBBIYSA-N 1 0 581.845 7.343 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(CC[NH+]1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605160 562665475 /nfs/dbraw/zinc/66/54/75/562665475.db2.gz XQSKDZCQZDQMAH-UHFFFAOYSA-N 1 0 688.741 7.660 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1 ZINC000049605178 562665477 /nfs/dbraw/zinc/66/54/77/562665477.db2.gz JLKDGUXIDUMOOE-UHFFFAOYSA-N 1 0 548.127 6.553 1 0 KKAFRO O=c1cc(NCC[C@@H](CNCc2ccoc2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605183 562665482 /nfs/dbraw/zinc/66/54/82/562665482.db2.gz QHBVPWFGGHOXDI-NRFANRHFSA-N 1 0 574.317 5.396 1 0 KKAFRO Cc1ccc(Cn2ncc(N3C[C@H](C)[NH2+][C@@H](C)C3)c(Cl)c2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000049605218 562665500 /nfs/dbraw/zinc/66/55/00/562665500.db2.gz SIRXXNTVMWWBRG-VXKWHMMOSA-N 1 0 557.098 5.751 1 0 KKAFRO CN(C(=O)c1snnc1-c1ccccc1)C1CC[NH+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049605259 562665559 /nfs/dbraw/zinc/66/55/59/562665559.db2.gz XYWYWAUXXGRKEC-ACCUITESSA-N 1 0 586.589 6.048 1 0 KKAFRO C[C@@H](NC(=O)N[C@@H](CC[NH+]1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049605330 562665700 /nfs/dbraw/zinc/66/57/00/562665700.db2.gz NDYVWXJQHKOLHR-DFHRPNOPSA-N 1 0 615.627 6.298 1 0 KKAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2Cl)[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049605347 562665712 /nfs/dbraw/zinc/66/57/12/562665712.db2.gz FTEWGZRSZVOFRL-GOQOSDJISA-N 1 0 607.261 5.208 1 0 KKAFRO O=C(NCCCC[N@H+]1CC=C(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605404 562665832 /nfs/dbraw/zinc/66/58/32/562665832.db2.gz RDFLMJLBUTUTTJ-UHFFFAOYSA-N 1 0 602.741 8.339 1 0 KKAFRO CCc1ccc(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c(OCCO)c1 ZINC000049605437 562665874 /nfs/dbraw/zinc/66/58/74/562665874.db2.gz DVNFFROEZNDJFB-UHFFFAOYSA-N 1 0 568.680 6.696 1 0 KKAFRO CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605475 562665883 /nfs/dbraw/zinc/66/58/83/562665883.db2.gz VOXGIJYTPWQGSV-LHEWISCISA-N 1 0 669.847 6.351 1 0 KKAFRO C[NH+]1CCC(N(Cc2ccc(-c3ccc(Cl)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605513 562665952 /nfs/dbraw/zinc/66/59/52/562665952.db2.gz PJAMXJVRLYFNKT-UHFFFAOYSA-N 1 0 640.174 7.508 1 0 KKAFRO CC[NH2+]C[C@H]1CCCN1CCOc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1OC ZINC000049605596 562666103 /nfs/dbraw/zinc/66/61/03/562666103.db2.gz ZMLXAZKSEPKWGH-JOCHJYFZSA-N 1 0 539.101 5.229 1 0 KKAFRO O=C(Nc1cc(F)cc(F)c1)N1CCO[C@](CC[NH+]2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049605645 562666176 /nfs/dbraw/zinc/66/61/76/562666176.db2.gz ZZICTRWDKLUOBS-YTTGMZPUSA-N 1 0 600.537 7.401 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 ZINC000049605713 562666225 /nfs/dbraw/zinc/66/62/25/562666225.db2.gz UUDRCYMFKQUZMC-WEVVVXLNSA-N 1 0 555.522 6.022 1 0 KKAFRO O=C(N[C@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605735 562666286 /nfs/dbraw/zinc/66/62/86/562666286.db2.gz UPECNCZLZOVUOM-ZWXJPIIXSA-N 1 0 576.770 6.454 1 0 KKAFRO C[NH+]1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000049605926 562666431 /nfs/dbraw/zinc/66/64/31/562666431.db2.gz GIZGRLHRWPQQSV-UHFFFAOYSA-N 1 0 696.668 5.330 1 0 KKAFRO CC(C)[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c3ccccc3c(=O)nc2SCc2cccc(F)c2F)CC1 ZINC000049625509 562666760 /nfs/dbraw/zinc/66/67/60/562666760.db2.gz YJXSGTOJRUFPNA-UHFFFAOYSA-N 1 0 720.808 8.554 1 0 KKAFRO COc1cc(NC(=O)N2CCO[C@@](CC[NH+]3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049625555 562666844 /nfs/dbraw/zinc/66/68/44/562666844.db2.gz SMHAPKLCQPNTCB-MGBGTMOVSA-N 1 0 628.597 7.049 1 0 KKAFRO C[C@@H](NC(=O)NC1CCC(CC[NH2+][C@@H](C)c2cccc3ccccc32)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000049625894 562666854 /nfs/dbraw/zinc/66/68/54/562666854.db2.gz XEWLJUIBQJOVTC-AHGQPHLBSA-N 1 0 549.759 7.063 1 0 KKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)cc1 ZINC000049625858 562666866 /nfs/dbraw/zinc/66/68/66/562666866.db2.gz ROZDJEIFFBNNNA-UHFFFAOYSA-N 1 0 535.591 6.609 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(c2cccc3ccccc32)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049625853 562666875 /nfs/dbraw/zinc/66/68/75/562666875.db2.gz UREGQVHUAKSAPZ-UHFFFAOYSA-N 1 0 540.107 7.135 1 0 KKAFRO CC(=O)Nc1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 ZINC000049626166 562667048 /nfs/dbraw/zinc/66/70/48/562667048.db2.gz ZRDJWOAFXMTEGU-XVNBXDOJSA-N 1 0 553.534 6.565 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3nc4ccccc4n3CCCO)CC2)CC1 ZINC000049626283 562667099 /nfs/dbraw/zinc/66/70/99/562667099.db2.gz VWNSEEQZVIVKFX-UKTHLTGXSA-N 1 0 569.577 6.293 1 0 KKAFRO CC(C)(C)C(=O)Oc1ccc(C[C@H]2[NH2+]CCc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)cc1OC(=O)C(C)(C)C ZINC000049626262 562667104 /nfs/dbraw/zinc/66/71/04/562667104.db2.gz ZLQIOUWNDPAURR-XMMPIXPASA-N 1 0 623.787 6.922 1 0 KKAFRO O=C(/C=C/c1cccc(Cl)c1)N1CC2(CC[NH+](C[C@@H](O)C3CCN(C(=O)/C=C/c4cccc(Cl)c4)CC3)CC2)c2ccccc21 ZINC000049626292 562667120 /nfs/dbraw/zinc/66/71/20/562667120.db2.gz ZPDRTCQTMQVUEM-KQISLLGPSA-N 1 0 644.643 6.700 1 0 KKAFRO CCOc1ccccc1N1CC[NH+](CCCNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)CC1 ZINC000049626681 562667299 /nfs/dbraw/zinc/66/72/99/562667299.db2.gz SJQJUYSZPOQPEY-TUNHADRTSA-N 1 0 557.522 5.745 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000049626853 562667420 /nfs/dbraw/zinc/66/74/20/562667420.db2.gz XJQIHPZOVYKLRB-CSKARUKUSA-N 1 0 572.364 6.886 1 0 KKAFRO O=C(NCCCC[NH+]1CCC(C(c2ccccc2)c2ccccc2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049639125 562667650 /nfs/dbraw/zinc/66/76/50/562667650.db2.gz VOQOHSKEIFEKSO-UHFFFAOYSA-N 1 0 580.172 7.646 1 0 KKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)CN2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000049639131 562667653 /nfs/dbraw/zinc/66/76/53/562667653.db2.gz DXFUBCYACWLMEY-UHFFFAOYSA-N 1 0 583.154 5.838 1 0 KKAFRO COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N(CCCN1CCC([NH+]2CCCCC2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000049639153 562667664 /nfs/dbraw/zinc/66/76/64/562667664.db2.gz VDTRQYWYKXJGHP-UHFFFAOYSA-N 1 0 630.276 6.699 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c4ccccc4[nH]c3-c3ccc(F)cc3)CC2)CC1 ZINC000049639210 562667732 /nfs/dbraw/zinc/66/77/32/562667732.db2.gz WEYPXTJTFZWQSM-WUXMJOGZSA-N 1 0 590.570 8.412 1 0 KKAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(S(=O)(=O)c2ccccc2)c1 ZINC000049650042 562668010 /nfs/dbraw/zinc/66/80/10/562668010.db2.gz SUHUZGDMCOOSBZ-MPQUPPDSSA-N 1 0 707.840 5.560 1 0 KKAFRO COc1ccc([C@@H](CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CC[NH+]([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679045 562668767 /nfs/dbraw/zinc/66/87/67/562668767.db2.gz VXIRZADKDLXOPU-RBJSKKJNSA-N 1 0 628.770 5.839 1 0 KKAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C(C2CCCCC2)C2CCCCC2)cc1 ZINC000049679346 562668833 /nfs/dbraw/zinc/66/88/33/562668833.db2.gz AQAMWEYARMIAPS-DVEMFWCFSA-N 1 0 683.938 5.612 1 0 KKAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049694450 562669375 /nfs/dbraw/zinc/66/93/75/562669375.db2.gz DJKJQQZHJKJZBN-PDDLMNHVSA-N 1 0 700.862 5.023 1 0 KKAFRO O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000049694534 562669436 /nfs/dbraw/zinc/66/94/36/562669436.db2.gz NPYVOXBQYYFMIU-VXQMPNGUSA-N 1 0 541.477 6.404 1 0 KKAFRO C[NH+]1CCN(CCCOc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049694945 562669970 /nfs/dbraw/zinc/66/99/70/562669970.db2.gz DTOKHNAODOAINH-UHFFFAOYSA-N 1 0 587.750 6.162 1 0 KKAFRO C[C@H]1C[C@@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000049695105 562670197 /nfs/dbraw/zinc/67/01/97/562670197.db2.gz PRPPWWOPQVJUNZ-CPJSRVTESA-N 1 0 621.440 6.800 1 0 KKAFRO COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CC[NH+](C4CCC4)CC3)C2=O)cc1OC ZINC000049695130 562670234 /nfs/dbraw/zinc/67/02/34/562670234.db2.gz OALICVBQMFNIMZ-MUUNZHRXSA-N 1 0 638.856 5.238 1 0 KKAFRO COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1N1CC[NH+](CC2CC2)CC1 ZINC000049710067 562671506 /nfs/dbraw/zinc/67/15/06/562671506.db2.gz XDTBAMJKTMZPRT-UHFFFAOYSA-N 1 0 588.652 5.299 1 0 KKAFRO COc1ccc(OCCC[NH+]2CCCCC2)cc1S(=O)(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000049710093 562671536 /nfs/dbraw/zinc/67/15/36/562671536.db2.gz MIPSSCHFCMLFHK-UHFFFAOYSA-N 1 0 563.638 6.381 1 0 KKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](CCC[NH+]1CCC2(CC1)OCc1ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000049710167 562671582 /nfs/dbraw/zinc/67/15/82/562671582.db2.gz SQUJAFQPAUVWQM-MHZLTWQESA-N 1 0 660.486 9.196 1 0 KKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cc2ccccc2)CC1 ZINC000049710286 562671625 /nfs/dbraw/zinc/67/16/25/562671625.db2.gz CULCANJXXJMRLI-UHFFFAOYSA-N 1 0 578.601 6.991 1 0 KKAFRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N(c2ccccc2)S(C)(=O)=O)cc(N2CCCC2=O)c1 ZINC000049710608 562671727 /nfs/dbraw/zinc/67/17/27/562671727.db2.gz ZFAMVVLKDJRVSY-FBBJSWSOSA-N 1 0 648.870 5.418 1 0 KKAFRO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N(c2ccccc2)S(C)(=O)=O)cc(N2CCCC2=O)c1 ZINC000049710605 562671748 /nfs/dbraw/zinc/67/17/48/562671748.db2.gz ZFAMVVLKDJRVSY-LKDIDBIPSA-N 1 0 648.870 5.418 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)n2nc(-c3ccccc3)cc21 ZINC000049722524 562672135 /nfs/dbraw/zinc/67/21/35/562672135.db2.gz DABQXINWWCXUCP-UHFFFAOYSA-N 1 0 695.790 6.544 1 0 KKAFRO S=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(I)c1 ZINC000049722631 562672294 /nfs/dbraw/zinc/67/22/94/562672294.db2.gz VVJQGERKABAACI-UHFFFAOYSA-N 1 0 546.522 6.109 1 0 KKAFRO CN1CC[NH+](CCCSc2ccc3c(c2)ncn3-c2cc(OCc3ccccc3C(F)(F)F)c(C(N)=O)s2)CC1 ZINC000049722649 562672312 /nfs/dbraw/zinc/67/23/12/562672312.db2.gz NFGXQLQAGRDMGZ-UHFFFAOYSA-N 1 0 589.709 5.513 1 0 KKAFRO CCN1CCc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1)cc2N1CCCCS1(=O)=O ZINC000049722642 562672341 /nfs/dbraw/zinc/67/23/41/562672341.db2.gz NCUYYSNGBQJJQA-BHDXBOSCSA-N 1 0 672.814 5.245 1 0 KKAFRO C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722691 562672353 /nfs/dbraw/zinc/67/23/53/562672353.db2.gz WMOFZJZCOQWBCG-GJZUVCINSA-N 1 0 546.539 6.035 1 0 KKAFRO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000049722683 562672406 /nfs/dbraw/zinc/67/24/06/562672406.db2.gz ZXDZRWVVWOZSKJ-UHFFFAOYSA-N 1 0 524.572 5.230 1 0 KKAFRO O=C(NC1CCN(CC[NH+]2CCC(c3cn(CCO)c4ccccc34)CC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722734 562672479 /nfs/dbraw/zinc/67/24/79/562672479.db2.gz JRQDHDOQHVZWPQ-UHFFFAOYSA-N 1 0 618.744 6.393 1 0 KKAFRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000049722854 562672618 /nfs/dbraw/zinc/67/26/18/562672618.db2.gz XVZNRUGROMDFEO-SFTDATJTSA-N 1 0 603.488 6.827 1 0 KKAFRO COc1cc(OCC(C)(C)C[NH+](C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049723004 562672835 /nfs/dbraw/zinc/67/28/35/562672835.db2.gz PTWIBIICWMNEDV-UHFFFAOYSA-N 1 0 577.151 5.279 1 0 KKAFRO CCOc1ccc(C2CC[NH+](CCN3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c(OCC2CC2)c1 ZINC000049723074 562672926 /nfs/dbraw/zinc/67/29/26/562672926.db2.gz KFNCBVSVZGMARL-UHFFFAOYSA-N 1 0 649.798 7.634 1 0 KKAFRO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(CCC[NH+]6CCOCC6)cc5sc4n3)cc2)no1 ZINC000049723205 562673074 /nfs/dbraw/zinc/67/30/74/562673074.db2.gz UMYGVIGBQXDICG-UHFFFAOYSA-N 1 0 558.708 6.410 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049723326 562673272 /nfs/dbraw/zinc/67/32/72/562673272.db2.gz HGZGLFFJVYSDKT-VZUCSPMQSA-N 1 0 555.453 5.744 1 0 KKAFRO CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CC[N@H+](Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744933 562673511 /nfs/dbraw/zinc/67/35/11/562673511.db2.gz CIPFNSORHWWFGG-NHZFLZHXSA-N 1 0 650.776 5.738 1 0 KKAFRO COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049756472 562675027 /nfs/dbraw/zinc/67/50/27/562675027.db2.gz JQKDSQXCKPYWPA-JHOUSYSJSA-N 1 0 573.778 5.768 1 0 KKAFRO Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)C[NH2+][C@H](C)c1cccc(C(C)C)c1)NC2=O ZINC000049756864 562675292 /nfs/dbraw/zinc/67/52/92/562675292.db2.gz WRDFTFAHALVDPT-GOQOSDJISA-N 1 0 531.697 5.118 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000049757145 562675610 /nfs/dbraw/zinc/67/56/10/562675610.db2.gz WMBJPWPAQLGSFL-UHFFFAOYSA-N 1 0 575.138 6.328 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@@H](Oc3cccc4ccccc43)c3cccs3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049757394 562675988 /nfs/dbraw/zinc/67/59/88/562675988.db2.gz QOGSMHDQGODXBS-BEJSXWRTSA-N 1 0 637.846 8.018 1 0 KKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCC[NH+]3CCCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000049767304 562677495 /nfs/dbraw/zinc/67/74/95/562677495.db2.gz ADIKCZFXHLGEBV-UHFFFAOYSA-N 1 0 543.708 6.149 1 0 KKAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCN2CC[NH+](C)CC2)ncn1 ZINC000049775547 562679124 /nfs/dbraw/zinc/67/91/24/562679124.db2.gz YGTYIGUWQYTZMS-UHFFFAOYSA-N 1 0 643.718 6.188 1 0 KKAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCC4CC[NH+](CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049776983 562679473 /nfs/dbraw/zinc/67/94/73/562679473.db2.gz GKBYIGLMXLDHBX-JGCGQSQUSA-N 1 0 631.883 6.135 1 0 KKAFRO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3ccccc3NCc3cc(OC)c(OC)c(OC)c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049776995 562679489 /nfs/dbraw/zinc/67/94/89/562679489.db2.gz VIBCUODVMOOGGW-NDEPHWFRSA-N 1 0 699.849 5.661 1 0 KKAFRO CCn1c2ccccc2nc1C1CC[NH+](CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000049777581 562680258 /nfs/dbraw/zinc/68/02/58/562680258.db2.gz JWBMEPIKJWQXHY-CSKARUKUSA-N 1 0 539.551 6.885 1 0 KKAFRO O=C(NCc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O ZINC000049777667 562680379 /nfs/dbraw/zinc/68/03/79/562680379.db2.gz FKOKZCUPUHUZFP-UHFFFAOYSA-N 1 0 565.636 6.099 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777795 562680530 /nfs/dbraw/zinc/68/05/30/562680530.db2.gz BMGSGSGMLBHZCA-RZBOESAMSA-N 1 0 556.531 5.123 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CCCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780964 562682469 /nfs/dbraw/zinc/68/24/69/562682469.db2.gz GLZYPKCZMYVDDL-WPLJCJQWSA-N 1 0 607.739 5.168 1 0 KKAFRO COCCOc1ccc(Cl)c(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781151 562682725 /nfs/dbraw/zinc/68/27/25/562682725.db2.gz OSMJTLDDZBOMDZ-RUZDIDTESA-N 1 0 634.044 7.301 1 0 KKAFRO [NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccc(C(F)(F)F)cc2)C1 ZINC000049784951 562683872 /nfs/dbraw/zinc/68/38/72/562683872.db2.gz MINFAHUQQXNXRH-RUZDIDTESA-N 1 0 536.638 7.216 1 0 KKAFRO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+](C)C)cc4C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049792475 562684398 /nfs/dbraw/zinc/68/43/98/562684398.db2.gz LLGYBOCRDSLEKE-UHFFFAOYSA-N 1 0 569.713 7.794 1 0 KKAFRO O=C(Nc1cccc(-c2ccnc3c(-c4coc(C[NH+]5CCCC5)c4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049792917 562684553 /nfs/dbraw/zinc/68/45/53/562684553.db2.gz UXWQKBQYLIAPJN-UHFFFAOYSA-N 1 0 531.538 6.523 1 0 KKAFRO COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C(C)(C)C[NH2+]C2)C2CC2)c1C ZINC000049793203 562684624 /nfs/dbraw/zinc/68/46/24/562684624.db2.gz CAKYRTNLEUINCX-UHFFFAOYSA-N 1 0 609.157 7.521 1 0 KKAFRO CCCC[C@H]1CN(C[C@H]2CCCCO2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 ZINC000049802273 562685614 /nfs/dbraw/zinc/68/56/14/562685614.db2.gz VQXGQXVCZKFEQP-RRPNLBNLSA-N 1 0 554.776 5.355 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[N@@H+]5CCCC[C@H]5C)cc43)ccc2s1 ZINC000049802941 562686011 /nfs/dbraw/zinc/68/60/11/562686011.db2.gz ZQJHBBLMLRMQIY-LJQANCHMSA-N 1 0 534.682 6.417 1 0 KKAFRO Nc1cc(Oc2ccc(Nc3ncc(Br)cc3C(=O)Nc3ccc(F)cc3F)cc2F)cc[nH+]1 ZINC000049803068 562686049 /nfs/dbraw/zinc/68/60/49/562686049.db2.gz TVKNKGVTROCEEA-UHFFFAOYSA-N 1 0 530.304 6.027 1 0 KKAFRO COc1ccc(C[NH2+][C@H]2CC[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]5CC[C@H]([C@@]6(O)C[C@@H](C=C(C)C)OC6=O)[C@H]5CC[C@H]34)C2(C)C)cc1 ZINC000049803765 562686261 /nfs/dbraw/zinc/68/62/61/562686261.db2.gz TYQGIEGOUOPXDM-OCXBHFRLSA-N 1 0 577.850 7.461 1 0 KKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCCC5)cc43)ccc2s1 ZINC000049807742 562686509 /nfs/dbraw/zinc/68/65/09/562686509.db2.gz SJAOXQQCKBBVPX-UHFFFAOYSA-N 1 0 506.628 5.638 1 0 KKAFRO CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Cl ZINC000049823109 562687024 /nfs/dbraw/zinc/68/70/24/562687024.db2.gz OWZSLAFZHOVBMI-UHFFFAOYSA-N 1 0 647.669 5.283 1 0 KKAFRO Cc1ccc(-c2ccc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CC[NH+](CC5CCOCC5)CC4)CCCC3)cc2)cc1 ZINC000049833036 562687461 /nfs/dbraw/zinc/68/74/61/562687461.db2.gz UVMPUBARAVZJIL-DIPNUNPCSA-N 1 0 664.891 5.687 1 0 KKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)CC1)CC2 ZINC000049833566 562687856 /nfs/dbraw/zinc/68/78/56/562687856.db2.gz IMAJGQONDPJLSO-UHFFFAOYSA-N 1 0 643.637 5.119 1 0 KKAFRO COc1ccc(C2=NN(CCCCC[NH2+]CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC ZINC000049841467 562688381 /nfs/dbraw/zinc/68/83/81/562688381.db2.gz QXJNTMSGRQZRFO-RTOKGZNSSA-N 1 0 649.754 7.822 1 0 KKAFRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000049841541 562688484 /nfs/dbraw/zinc/68/84/84/562688484.db2.gz WDTJXSRPRRUIIV-UHFFFAOYSA-N 1 0 644.728 6.144 1 0 KKAFRO FC(F)(F)c1cccc(C[N@H+](CCCOc2n[nH]c3ccccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000049867477 562689520 /nfs/dbraw/zinc/68/95/20/562689520.db2.gz JFYYICQUPIPHLA-UHFFFAOYSA-N 1 0 564.051 8.338 1 0 KKAFRO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)[nH]1 ZINC000049867510 562689549 /nfs/dbraw/zinc/68/95/49/562689549.db2.gz YCHMPCBHRODLET-UHFFFAOYSA-N 1 0 586.114 5.936 1 0 KKAFRO CCOC(=O)[C@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000049872474 562690066 /nfs/dbraw/zinc/69/00/66/562690066.db2.gz BSAKCTVYTGENGJ-GFPUREGVSA-N 1 0 554.613 5.043 1 0 KKAFRO CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049881617 562690946 /nfs/dbraw/zinc/69/09/46/562690946.db2.gz OWURYQDBCNDEQC-UHFFFAOYSA-N 1 0 587.592 7.022 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000049881894 562691232 /nfs/dbraw/zinc/69/12/32/562691232.db2.gz HWJKZSCSONBYTM-WEVVVXLNSA-N 1 0 532.468 5.373 1 0 KKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2cccc3c(-c4ccncc4)cccc23)ccc1I ZINC000049917524 562693507 /nfs/dbraw/zinc/69/35/07/562693507.db2.gz GBAFVMGMCSYHLS-UHFFFAOYSA-N 1 0 552.416 6.091 1 0 KKAFRO CCCCN(CCCC)C(=O)c1nn(-c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1Cl ZINC000049898893 562692939 /nfs/dbraw/zinc/69/29/39/562692939.db2.gz ZVGFUPSZBYCCIH-PMERELPUSA-N 1 0 685.269 6.420 1 0 KKAFRO CC1(C)C[NH2+]CC(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C1c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 ZINC000049916711 562693511 /nfs/dbraw/zinc/69/35/11/562693511.db2.gz NHKGQZOIJVMGNE-UHFFFAOYSA-N 1 0 633.994 8.511 1 0 KKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(N(C)C)c2)ccc1OCC[NH+]1CCCC1 ZINC000049917647 562693690 /nfs/dbraw/zinc/69/36/90/562693690.db2.gz CLSDIUXEPKQVBJ-UHFFFAOYSA-N 1 0 619.187 7.122 1 0 KKAFRO C[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1CN1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000049917708 562693807 /nfs/dbraw/zinc/69/38/07/562693807.db2.gz AFWWVFAVOSRPDP-VWLOTQADSA-N 1 0 554.779 6.756 1 0 KKAFRO CC[C@H](C[C@H]([NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1)c1ccccc1OC ZINC000049917800 562693884 /nfs/dbraw/zinc/69/38/84/562693884.db2.gz DVBJCFUDWUVXHF-NYFMKLKXSA-N 1 0 598.187 8.026 1 0 KKAFRO CC[C@@H](C[C@H]([NH2+]CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1)c1ccccc1OC ZINC000049917799 562693915 /nfs/dbraw/zinc/69/39/15/562693915.db2.gz DVBJCFUDWUVXHF-UBOZLPQGSA-N 1 0 598.187 8.026 1 0 KKAFRO CC[NH+]1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2nc(C)c(=O)cc2SCc2ccc(F)cc2)CC1 ZINC000049917840 562693977 /nfs/dbraw/zinc/69/39/77/562693977.db2.gz DDPCCRCCVGWFBI-UHFFFAOYSA-N 1 0 652.758 7.182 1 0 KKAFRO COc1cc(N[C@@H]2CCC[C@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)nc2ccccc21 ZINC000049917851 562693990 /nfs/dbraw/zinc/69/39/90/562693990.db2.gz CRKRTZSDQVCDCH-BJKOFHAPSA-N 1 0 540.689 5.948 1 0 KKAFRO C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)[NH2+]1 ZINC000049917862 562694028 /nfs/dbraw/zinc/69/40/28/562694028.db2.gz GRBGQMNUHSAYID-NHCUHLMSSA-N 1 0 577.655 5.716 1 0 KKAFRO CC[N@@H+]1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049917866 562694060 /nfs/dbraw/zinc/69/40/60/562694060.db2.gz WDQWQNOQDURTBH-SSEXGKCCSA-N 1 0 691.766 8.381 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917907 562694124 /nfs/dbraw/zinc/69/41/24/562694124.db2.gz LROQIJZEUPRJEP-AWGFCZPBSA-N 1 0 557.444 6.208 1 0 KKAFRO O=C(N[C@@H](CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049917924 562694127 /nfs/dbraw/zinc/69/41/27/562694127.db2.gz CXAAWZIHSALWCA-SANMLTNESA-N 1 0 544.910 6.402 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918016 562694318 /nfs/dbraw/zinc/69/43/18/562694318.db2.gz DSLNSSBBWLMIIQ-INOXDZRUSA-N 1 0 534.915 5.804 1 0 KKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000049917938 562694189 /nfs/dbraw/zinc/69/41/89/562694189.db2.gz OVOQKPVGHPMAAO-OAQYLSRUSA-N 1 0 531.600 5.148 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)s2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21 ZINC000049917952 562694228 /nfs/dbraw/zinc/69/42/28/562694228.db2.gz GJIRWCURZZHBRK-UHFFFAOYSA-N 1 0 682.759 7.578 1 0 KKAFRO COc1cc(CNc2cc(OCCOc3ccc(Cl)cc3)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)ccc1OCc1ccccc1 ZINC000049917999 562694242 /nfs/dbraw/zinc/69/42/42/562694242.db2.gz RSODAQJHXOABTM-UHFFFAOYSA-N 1 0 706.283 8.392 1 0 KKAFRO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000049917978 562694289 /nfs/dbraw/zinc/69/42/89/562694289.db2.gz ZWCDCZKDHKRCSM-OAQYLSRUSA-N 1 0 537.648 5.528 1 0 KKAFRO CCOC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[N@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049918037 562694305 /nfs/dbraw/zinc/69/43/05/562694305.db2.gz GDAOTXGABVHAOU-BQHRQADXSA-N 1 0 617.618 6.784 1 0 KKAFRO O=C(c1ccc(F)cc1)N1CCO[C@](CC[NH+]2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049918109 562694458 /nfs/dbraw/zinc/69/44/58/562694458.db2.gz OWXFBRUOUNYNQU-PMERELPUSA-N 1 0 541.494 6.770 1 0 KKAFRO COC(=O)c1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000049918134 562694520 /nfs/dbraw/zinc/69/45/20/562694520.db2.gz LCJSIFJKPMDPFK-UHFFFAOYSA-N 1 0 583.516 5.365 1 0 KKAFRO CCc1ccc(C[NH+]2CCC(CN(c3ccc(N4CCOCC4)c(F)c3)S(=O)(=O)c3ccc(C(C)(C)CC)cc3)CC2)cc1 ZINC000049918162 562694535 /nfs/dbraw/zinc/69/45/35/562694535.db2.gz MBBFGZKRIBUEFY-UHFFFAOYSA-N 1 0 621.863 7.020 1 0 KKAFRO CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3nc2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049925467 562694715 /nfs/dbraw/zinc/69/47/15/562694715.db2.gz FITNUKNIUJHPPH-UHFFFAOYSA-N 1 0 630.719 7.673 1 0 KKAFRO CCn1nc(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 ZINC000053132157 562696310 /nfs/dbraw/zinc/69/63/10/562696310.db2.gz ILBDFKGQNFCVSY-LWKLBADKSA-N 1 0 568.806 6.422 1 0 KKAFRO Cc1nc(Nc2nccn2-c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230350 562696695 /nfs/dbraw/zinc/69/66/95/562696695.db2.gz OSLAOTJVGUZZMM-UHFFFAOYSA-N 1 0 580.615 5.572 1 0 KKAFRO O=C(NCc1cc(-c2ccc(=O)n(CCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)ccc1Cl)c1ccccc1 ZINC000053295663 562697319 /nfs/dbraw/zinc/69/73/19/562697319.db2.gz MMMLFJAXXVWJKE-UHFFFAOYSA-N 1 0 610.080 5.725 1 0 KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1/C=C/c1cnc2cccnn12 ZINC000053296119 562697360 /nfs/dbraw/zinc/69/73/60/562697360.db2.gz VAHLZPLJZFWYRY-CSKARUKUSA-N 1 0 534.586 5.227 1 0 KKAFRO COc1c(NC(=O)C(=O)c2ccc(Nc3cc[nH+]cc3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058523763 562698586 /nfs/dbraw/zinc/69/85/86/562698586.db2.gz PFXHSJRHNSRFIZ-UHFFFAOYSA-N 1 0 546.649 5.477 1 0 KKAFRO COCCc1ccc(Cl)c(C[C@H](C[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058582062 562699918 /nfs/dbraw/zinc/69/99/18/562699918.db2.gz YJHICJFUTHGVGB-BDYUSTAISA-N 1 0 605.046 8.378 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058592702 562700647 /nfs/dbraw/zinc/70/06/47/562700647.db2.gz CVUWFBADXYHFKM-UHFFFAOYSA-N 1 0 549.641 6.743 1 0 KKAFRO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058609283 562701021 /nfs/dbraw/zinc/70/10/21/562701021.db2.gz ZTGKKBRUYNYCNY-GBESFXJTSA-N 1 0 572.364 6.586 1 0 KKAFRO Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(-c5ccccc5)cc4)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000058615842 562701046 /nfs/dbraw/zinc/70/10/46/562701046.db2.gz OZBNFFZIMBTLAB-RVUODFHMSA-N 1 0 509.646 5.209 1 0 KKAFRO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)o2)c1 ZINC000058655355 562701342 /nfs/dbraw/zinc/70/13/42/562701342.db2.gz ZMWYPHJRULTAQZ-VPUSJEBWSA-N 1 0 530.632 5.177 1 0 KKAFRO COCCCc1ccccc1-c1ccc([C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031006 562701576 /nfs/dbraw/zinc/70/15/76/562701576.db2.gz FYTLUEKLGKTLOF-GDLZYMKVSA-N 1 0 592.607 8.599 1 0 KKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000059744891 562702186 /nfs/dbraw/zinc/70/21/86/562702186.db2.gz RCSPFHBAQYBMER-XUZZJYLKSA-N 1 0 541.644 6.460 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000059796528 562702350 /nfs/dbraw/zinc/70/23/50/562702350.db2.gz MMKSWHUGCQHRDI-FSOZDLKISA-N 1 0 500.642 6.557 3 0 KKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000059796529 562702355 /nfs/dbraw/zinc/70/23/55/562702355.db2.gz MMKSWHUGCQHRDI-OETVIHDQSA-N 1 0 500.642 6.557 3 0 KKAFRO FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3[C@@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955098 562702465 /nfs/dbraw/zinc/70/24/65/562702465.db2.gz WRZDNNNWRDBIAE-ZCGWPHLNSA-N 1 0 509.615 8.394 3 0 aggregator KKAFRO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061895480 562702844 /nfs/dbraw/zinc/70/28/44/562702844.db2.gz VLVPEVZFRKIYSM-UUWRZZSWSA-N 1 0 527.668 7.145 3 0 KKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccc(F)cc1 ZINC000061895544 562702846 /nfs/dbraw/zinc/70/28/46/562702846.db2.gz FRDBUCBHBQKYBK-WJOKGBTCSA-N 1 0 509.625 6.439 3 0 KKAFRO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000061903573 562702949 /nfs/dbraw/zinc/70/29/49/562702949.db2.gz WRGNBMQDYUXXJC-SSEXGKCCSA-N 1 0 510.613 5.279 3 0 KKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061904329 562702955 /nfs/dbraw/zinc/70/29/55/562702955.db2.gz RLPSINIDQZBJGZ-SANMLTNESA-N 1 0 514.453 5.394 3 0 KKAFRO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061903104 562702996 /nfs/dbraw/zinc/70/29/96/562702996.db2.gz YIBWFLHBLUUTEL-WJOKGBTCSA-N 1 0 506.650 5.530 3 0 KKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061904330 562703032 /nfs/dbraw/zinc/70/30/32/562703032.db2.gz RLPSINIDQZBJGZ-AREMUKBSSA-N 1 0 514.453 5.394 3 0 KKAFRO CCOc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000062213081 562704418 /nfs/dbraw/zinc/70/44/18/562704418.db2.gz XOKQXPCDCRWFMF-AREMUKBSSA-N 1 0 505.634 5.778 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)c1 ZINC000063540234 562704516 /nfs/dbraw/zinc/70/45/16/562704516.db2.gz NOBMKUVHFRVBES-UHFFFAOYSA-N 1 0 526.685 6.039 1 0 KKAFRO COc1ccc(C[NH+](C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn32)n1 ZINC000063539908 562704522 /nfs/dbraw/zinc/70/45/22/562704522.db2.gz XMGFTZYNTYNOOJ-UHFFFAOYSA-N 1 0 611.678 6.864 1 0 KKAFRO CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000064245766 562704640 /nfs/dbraw/zinc/70/46/40/562704640.db2.gz HUCKKBDXVQDXSC-LGXAAPQCSA-N 1 0 565.780 5.291 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064436809 562705221 /nfs/dbraw/zinc/70/52/21/562705221.db2.gz KESJHBITHJMSMQ-SFTDATJTSA-N 1 0 516.584 5.033 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447732 562705420 /nfs/dbraw/zinc/70/54/20/562705420.db2.gz IOXPBXUNYNTKQK-OALUTQOASA-N 1 0 552.564 5.312 1 0 KKAFRO CC[N@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448349 562705482 /nfs/dbraw/zinc/70/54/82/562705482.db2.gz BQNPHGJXMWFRFI-UJOZJXIWSA-N 1 0 592.747 7.162 1 0 KKAFRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448393 562705524 /nfs/dbraw/zinc/70/55/24/562705524.db2.gz GTMBWPYOKDFCNH-VXKWHMMOSA-N 1 0 530.611 5.342 1 0 KKAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1C(F)(F)F ZINC000064453801 562705640 /nfs/dbraw/zinc/70/56/40/562705640.db2.gz FVDQTDWBXKAMSI-SFTDATJTSA-N 1 0 566.591 5.913 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064512786 562706283 /nfs/dbraw/zinc/70/62/83/562706283.db2.gz UELIGXHMBSCNLD-REUBFRLUSA-N 1 0 624.220 6.895 1 0 KKAFRO Cc1nc(C(C)(C)[C@@H]2CC3(CCN(C(=O)[C@@H]4C[N@@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)no1 ZINC000064513596 562706406 /nfs/dbraw/zinc/70/64/06/562706406.db2.gz OJRQPZOLXCDUKG-ZRRKCSAHSA-N 1 0 625.204 7.457 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000064514008 562706501 /nfs/dbraw/zinc/70/65/01/562706501.db2.gz MAMYYNBMHYGSHM-UHFFFAOYSA-N 1 0 597.847 6.786 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CC[C@@]3(C2)CCCc2cc(Br)ccc23)n1C ZINC000064514026 562706503 /nfs/dbraw/zinc/70/65/03/562706503.db2.gz LJOIJDZCFSDRBE-HSZRJFAPSA-N 1 0 502.482 5.003 1 0 KKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(=O)NC2CC2)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064526961 562706747 /nfs/dbraw/zinc/70/67/47/562706747.db2.gz IKROAVAVBXVDKX-HOZJOUCCSA-N 1 0 514.510 5.976 1 0 KKAFRO C/C=C/COc1c(OC)ccc2c1c[n+]1c(c2Cc2ccc(C(C)C)cc2)-c2cc3c(cc2CC1)OCO3 ZINC000064539280 562707535 /nfs/dbraw/zinc/70/75/35/562707535.db2.gz IMZLVCIZAMAPQP-AATRIKPKSA-N 1 0 508.638 6.757 1 0 KKAFRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)N(CCC[NH3+])C1CCCCC1 ZINC000064539585 562707559 /nfs/dbraw/zinc/70/75/59/562707559.db2.gz KZNDGYUJQVSRNW-UHFFFAOYSA-N 1 0 580.777 7.399 1 0 KKAFRO CC(=O)NCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064540153 562707652 /nfs/dbraw/zinc/70/76/52/562707652.db2.gz XMURKBGOEUGSJM-NDEPHWFRSA-N 1 0 591.579 7.656 1 0 KKAFRO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548772 562707930 /nfs/dbraw/zinc/70/79/30/562707930.db2.gz WOARFNLDHSQISN-MUUNZHRXSA-N 1 0 550.728 6.269 1 0 KKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cc(I)cc(C(C)(C)C)c2)CCCCC1 ZINC000064548781 562707932 /nfs/dbraw/zinc/70/79/32/562707932.db2.gz KRWAQXXOXZHCRT-IZZNHLLZSA-N 1 0 598.516 5.724 1 0 KKAFRO CC(=O)NCCCc1ccccc1-c1ccc([C@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000064549033 562707964 /nfs/dbraw/zinc/70/79/64/562707964.db2.gz RBSDEEXLFIWXQU-PMERELPUSA-N 1 0 619.633 8.089 1 0 KKAFRO O=C(NCCCC[NH+]1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1)c1cc2ccccc2s1 ZINC000064549482 562708043 /nfs/dbraw/zinc/70/80/43/562708043.db2.gz HIGILHVUMICSAW-UHFFFAOYSA-N 1 0 523.746 6.117 1 0 KKAFRO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CC[C@@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549469 562708074 /nfs/dbraw/zinc/70/80/74/562708074.db2.gz MKRKVCYLRHDJLG-HSZRJFAPSA-N 1 0 502.482 5.003 1 0 KKAFRO COc1cccc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)c1 ZINC000066066110 562709309 /nfs/dbraw/zinc/70/93/09/562709309.db2.gz FPDYNLCFLHJVOJ-SYBRLPANSA-N 1 0 594.583 6.046 1 0 KKAFRO CC(=O)N(C)C1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066073868 562709569 /nfs/dbraw/zinc/70/95/69/562709569.db2.gz BAOSJUSHNIOEOW-QPQHGXMVSA-N 1 0 578.584 6.379 1 0 KKAFRO COc1cc(CN(C)C(=O)[C@]2(c3ccc(Cl)c(Cl)c3)C[C@@H]2C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc(OC)c1 ZINC000066098353 562710896 /nfs/dbraw/zinc/71/08/96/562710896.db2.gz HFXOGTRXHXSDKI-YJNPBZNESA-N 1 0 624.609 6.054 1 0 KKAFRO CC(C)[NH2+]Cc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066100598 562711231 /nfs/dbraw/zinc/71/12/31/562711231.db2.gz CFHYBQICSRKUFF-JOCHJYFZSA-N 1 0 566.624 6.483 1 0 KKAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000066104579 562711747 /nfs/dbraw/zinc/71/17/47/562711747.db2.gz YXZROCSVGRUEGS-UHFFFAOYSA-N 1 0 543.755 5.851 1 0 KKAFRO CC[NH+](CC)CCc1cccc(OCc2ccc([C@@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)c1 ZINC000066113832 562712255 /nfs/dbraw/zinc/71/22/55/562712255.db2.gz MLXXMWQQZWZSJP-MGBGTMOVSA-N 1 0 508.662 6.821 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123114 562712407 /nfs/dbraw/zinc/71/24/07/562712407.db2.gz HIXUNFAFDDRQIW-CUPIEXAXSA-N 1 0 626.037 6.955 3 0 KKAFRO CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066136292 562713061 /nfs/dbraw/zinc/71/30/61/562713061.db2.gz GWCAQZNWHULOSU-UHFFFAOYSA-N 1 0 521.727 5.004 1 0 KKAFRO CCN1c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N(C2CCCC2)[C@H](c2ccccc2)CC1=O ZINC000066136498 562713146 /nfs/dbraw/zinc/71/31/46/562713146.db2.gz IJVJTMNJBNMDDU-NDEPHWFRSA-N 1 0 597.764 5.300 3 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066147792 562713554 /nfs/dbraw/zinc/71/35/54/562713554.db2.gz PXBFCTWQJKAISQ-RCUDDFTLSA-N 1 0 591.752 5.887 3 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[NH2+]CCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157542 562713959 /nfs/dbraw/zinc/71/39/59/562713959.db2.gz MRLNQNFCYNVUEX-XZOQPEGZSA-N 1 0 558.727 5.367 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)CC[C@H]([NH3+])C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157539 562713977 /nfs/dbraw/zinc/71/39/77/562713977.db2.gz FKRJWSOOMWTJEG-UQARTHHBSA-N 1 0 629.806 5.002 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]2(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066166780 562714137 /nfs/dbraw/zinc/71/41/37/562714137.db2.gz RRPFZSIJHKDDSJ-IEWVHIKDSA-N 1 0 599.002 6.691 1 0 KKAFRO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167023 562714198 /nfs/dbraw/zinc/71/41/98/562714198.db2.gz PGSAXCJWCDSMCF-XMMPIXPASA-N 1 0 521.727 5.319 1 0 KKAFRO CN(C[C@@H]1CCCC[N@@H+]1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252070 562714636 /nfs/dbraw/zinc/71/46/36/562714636.db2.gz JYLAXWCUPMUZAQ-NRFANRHFSA-N 1 0 593.620 6.179 1 0 KKAFRO COCC[NH2+]Cc1ccc(Cn2cnc3c2C(=O)N(c2ccccc2)c2cc(Cl)ccc2N3C)cc1 ZINC000066259680 562715333 /nfs/dbraw/zinc/71/53/33/562715333.db2.gz WGJIFDXRUQJVPI-UHFFFAOYSA-N 1 0 502.018 5.381 1 0 KKAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1Cl ZINC000066263826 562715578 /nfs/dbraw/zinc/71/55/78/562715578.db2.gz MEKLTYPHUYUURO-UHFFFAOYSA-N 1 0 529.428 5.204 1 0 KKAFRO O=C(C[C@@H]1c2cc(F)cc(F)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000068087531 562715752 /nfs/dbraw/zinc/71/57/52/562715752.db2.gz DWYMCXLNHQBOCL-GDLZYMKVSA-N 1 0 655.554 6.287 1 0 KKAFRO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1 ZINC000068245477 562716079 /nfs/dbraw/zinc/71/60/79/562716079.db2.gz NXIWKVKEGODGND-DEOSSOPVSA-N 1 0 622.648 5.317 1 0 KKAFRO COC[C@H](C)COCc1ccc([C@@]2(O)CC[NH2+]C[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 ZINC000068246307 562716128 /nfs/dbraw/zinc/71/61/28/562716128.db2.gz QUFANDXAWBYANX-MITYIVFKSA-N 1 0 544.736 5.104 1 0 KKAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCC5(CC4)OCCCCO5)CC3)no2)cc1 ZINC000068247157 562716195 /nfs/dbraw/zinc/71/61/95/562716195.db2.gz OIFOBROSSMKYCR-UHFFFAOYSA-N 1 0 606.720 5.271 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000068249399 562716223 /nfs/dbraw/zinc/71/62/23/562716223.db2.gz PASMKWHBPPXXIM-HFVNIMEJSA-N 1 0 542.749 6.007 1 0 KKAFRO COc1ccc(C[N@H+](C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)cc1 ZINC000071281628 562716679 /nfs/dbraw/zinc/71/66/79/562716679.db2.gz JNQCYAPDXOOPBU-SGOUQRLHSA-N 1 0 606.917 7.254 1 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071281524 562716686 /nfs/dbraw/zinc/71/66/86/562716686.db2.gz LCKPDYGWOISVFA-ZVBBVAIHSA-N 1 0 526.725 5.688 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296444 562717512 /nfs/dbraw/zinc/71/75/12/562717512.db2.gz OMQIHQKBNCOMND-ADXZGYQBSA-N 1 0 592.489 7.158 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296465 562717546 /nfs/dbraw/zinc/71/75/46/562717546.db2.gz JPWYVAROSPOSCT-BKMJKUGQSA-N 1 0 524.061 5.446 1 0 KKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071316031 562717785 /nfs/dbraw/zinc/71/77/85/562717785.db2.gz IHXFHHOZRJEQBX-JYFHCDHNSA-N 1 0 509.046 5.054 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071315983 562717797 /nfs/dbraw/zinc/71/77/97/562717797.db2.gz QPAOZNRVQHQTBH-DNOBIOAJSA-N 1 0 614.923 8.101 1 0 KKAFRO COc1cccc(O[C@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000071316344 562717911 /nfs/dbraw/zinc/71/79/11/562717911.db2.gz FLCOWDAPEOXPIR-XRHLQHRESA-N 1 0 611.492 6.852 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000071317344 562718196 /nfs/dbraw/zinc/71/81/96/562718196.db2.gz RTPFALYEQCCABR-UHFFFAOYSA-N 1 0 544.699 7.724 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317354 562718197 /nfs/dbraw/zinc/71/81/97/562718197.db2.gz ORHJRDFXSAZUJC-DWXRJYCRSA-N 1 0 581.466 6.843 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071317353 562718216 /nfs/dbraw/zinc/71/82/16/562718216.db2.gz ORHJRDFXSAZUJC-QYBDOPJKSA-N 1 0 581.466 6.843 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH+](C)C)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071317475 562718258 /nfs/dbraw/zinc/71/82/58/562718258.db2.gz DHNMPEPGRDFNQB-UHFFFAOYSA-N 1 0 506.599 5.118 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071318511 562718518 /nfs/dbraw/zinc/71/85/18/562718518.db2.gz SEGQUBJRIWCWBZ-MRDQGFSESA-N 1 0 615.911 7.496 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccnc2)c2ccc(Br)cc2)CC1 ZINC000071319296 562718752 /nfs/dbraw/zinc/71/87/52/562718752.db2.gz JEKXFKCNNKNGAU-HFJWLAOPSA-N 1 0 592.365 6.587 1 0 KKAFRO CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)[NH2+]1 ZINC000071329250 562718810 /nfs/dbraw/zinc/71/88/10/562718810.db2.gz ZQDYFCAQLYEQJM-MPFGFTFXSA-N 1 0 599.836 5.013 1 0 KKAFRO C[N@H+](CC[C@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330137 562719106 /nfs/dbraw/zinc/71/91/06/562719106.db2.gz KROSHEKWTTXFGB-DEOSSOPVSA-N 1 0 512.500 6.547 1 0 KKAFRO C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000071330891 562719223 /nfs/dbraw/zinc/71/92/23/562719223.db2.gz SBVFNLJIIJHIAV-SZNDQCEHSA-N 1 0 515.279 5.105 1 0 KKAFRO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331593 562719320 /nfs/dbraw/zinc/71/93/20/562719320.db2.gz WLNIVNVJKHJSOQ-FECOFQHFSA-N 1 0 577.899 7.421 1 0 KKAFRO C[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 ZINC000071333192 562719414 /nfs/dbraw/zinc/71/94/14/562719414.db2.gz VKSAXUHKZPMTJY-QSOCIONNSA-N 1 0 544.989 6.393 1 0 KKAFRO C[C@H]1C=C(CCCCCCCCC[NH2+]CCNC[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071335151 562719675 /nfs/dbraw/zinc/71/96/75/562719675.db2.gz MMIAMAPNSXHRDA-VBOOUTDYSA-N 1 0 520.755 5.121 1 0 KKAFRO C[NH+](C)CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071341760 562720036 /nfs/dbraw/zinc/72/00/36/562720036.db2.gz XEFLLSPZIKHPDN-IAPPQJPRSA-N 1 0 621.377 6.709 1 0 KKAFRO C[NH+](C)CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071341759 562720046 /nfs/dbraw/zinc/72/00/46/562720046.db2.gz XEFLLSPZIKHPDN-XTEPFMGCSA-N 1 0 621.377 6.709 1 0 KKAFRO CCNC(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072108921 562721503 /nfs/dbraw/zinc/72/15/03/562721503.db2.gz JKQLGKAFSYTJQH-REUBFRLUSA-N 1 0 614.221 6.951 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)N(C)C)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110401 562721762 /nfs/dbraw/zinc/72/17/62/562721762.db2.gz ACNLYDWIFLWOSO-ZRRKCSAHSA-N 1 0 614.221 6.903 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2C[C@@H]3C[C@H]2CO3)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110312 562721788 /nfs/dbraw/zinc/72/17/88/562721788.db2.gz NHYXEQOGARNXDQ-YYWDGOAHSA-N 1 0 668.269 6.814 1 0 KKAFRO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCC2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110364 562721803 /nfs/dbraw/zinc/72/18/03/562721803.db2.gz WUYZSYUIADONLK-GKRYNVPLSA-N 1 0 626.232 7.047 1 0 KKAFRO CC(=O)N(C)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110428 562721825 /nfs/dbraw/zinc/72/18/25/562721825.db2.gz OHBGZKGQZMYAOO-YIKNKFAXSA-N 1 0 614.221 7.045 1 0 KKAFRO CCNC(=O)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110876 562721832 /nfs/dbraw/zinc/72/18/32/562721832.db2.gz JKQLGKAFSYTJQH-ZRRKCSAHSA-N 1 0 614.221 6.951 1 0 KKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(Cc6cccc(SC(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112492 562722073 /nfs/dbraw/zinc/72/20/73/562722073.db2.gz FDCVDNZXWBHRNJ-IBFSNEKNSA-N 1 0 578.785 6.759 1 0 KKAFRO Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCOc2ccc(-c3cc4ccccc4o3)cc2)CCCC1 ZINC000072113620 562722414 /nfs/dbraw/zinc/72/24/14/562722414.db2.gz YKUWYPPZSUFMOI-UHFFFAOYSA-N 1 0 539.119 9.622 1 0 KKAFRO COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](CCCC[NH3+])NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000072115360 562723009 /nfs/dbraw/zinc/72/30/09/562723009.db2.gz HEWBYZPOUNEUEA-WQQNLHNWSA-N 1 0 672.875 5.575 1 0 KKAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CC1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000072118597 562723603 /nfs/dbraw/zinc/72/36/03/562723603.db2.gz GAXACNNUIGDQNV-SANMLTNESA-N 1 0 514.695 5.408 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]2(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123627 562724761 /nfs/dbraw/zinc/72/47/61/562724761.db2.gz GNXSWEKHDYCYOO-GOXGLGGOSA-N 1 0 633.447 7.344 1 0 KKAFRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2ccc(Cl)c(Cl)c2)CC1 ZINC000072123632 562724802 /nfs/dbraw/zinc/72/48/02/562724802.db2.gz BEGFCGPNILKSKQ-ZOYWYXQUSA-N 1 0 633.447 7.344 1 0 KKAFRO Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(C[NH+]5CCCCC5)ccc43)cc2)c(=O)c2c(F)ccc(F)c12 ZINC000072125161 562725177 /nfs/dbraw/zinc/72/51/77/562725177.db2.gz GJAOEIIWSJLARG-MUUNZHRXSA-N 1 0 542.630 5.766 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127732 562725867 /nfs/dbraw/zinc/72/58/67/562725867.db2.gz IXGXEPVYDMHUEI-BQYLNSIHSA-N 1 0 742.068 6.465 3 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2csc3ccccc3c2=O)c1 ZINC000072127977 562726034 /nfs/dbraw/zinc/72/60/34/562726034.db2.gz NTQJDUGWWDRDKJ-GDLZYMKVSA-N 1 0 508.687 6.722 1 0 KKAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128619 562726099 /nfs/dbraw/zinc/72/60/99/562726099.db2.gz LAZZTJJMWPLAFV-KWRMZWAXSA-N 1 0 692.052 6.562 3 0 KKAFRO CCCCNC(=O)[C@H](C)N(CC[NH+](C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128636 562726127 /nfs/dbraw/zinc/72/61/27/562726127.db2.gz LNLNGNGPLSBRDR-CMVGPNDKSA-N 1 0 668.279 5.679 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128753 562726277 /nfs/dbraw/zinc/72/62/77/562726277.db2.gz TXGYYWCQXDVHML-PQDHALMWSA-N 1 0 634.699 6.855 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc(NS(C)(=O)=O)c2F)CC1 ZINC000072128831 562726311 /nfs/dbraw/zinc/72/63/11/562726311.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 1 0 679.809 6.566 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128789 562726351 /nfs/dbraw/zinc/72/63/51/562726351.db2.gz ZMTRPPZPJFXNFP-CUPIEXAXSA-N 1 0 680.041 6.331 3 0 KKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129821 562726451 /nfs/dbraw/zinc/72/64/51/562726451.db2.gz LRWZYUPRBGDZAM-ULJKERAFSA-N 1 0 714.254 7.097 1 0 KKAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(C[NH+](C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)C2=O)cc1 ZINC000072129853 562726462 /nfs/dbraw/zinc/72/64/62/562726462.db2.gz OAIPTJXKMLWSCX-GMCHKSTQSA-N 1 0 637.158 5.223 1 0 KKAFRO C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000072129843 562726492 /nfs/dbraw/zinc/72/64/92/562726492.db2.gz UWECJOYEFRYCLM-MRDQGFSESA-N 1 0 631.910 7.376 1 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1 ZINC000072132820 562726907 /nfs/dbraw/zinc/72/69/07/562726907.db2.gz VHSIEYYFBUUDJV-NOCHOARKSA-N 1 0 713.743 7.373 1 0 KKAFRO COC(=O)c1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 ZINC000072132826 562726937 /nfs/dbraw/zinc/72/69/37/562726937.db2.gz BBPIAZGYCZVTCO-MYUZEXMDSA-N 1 0 639.502 6.630 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134884 562727382 /nfs/dbraw/zinc/72/73/82/562727382.db2.gz GSEAIWAWPQWVOK-WISKXVKBSA-N 1 0 730.057 6.233 3 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072135821 562727610 /nfs/dbraw/zinc/72/76/10/562727610.db2.gz YEAPJXOMCGCQBF-WISKXVKBSA-N 1 0 670.005 6.129 3 0 KKAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000072136882 562728199 /nfs/dbraw/zinc/72/81/99/562728199.db2.gz LQNDJDYMUQINEC-WISKXVKBSA-N 1 0 670.005 6.129 3 0 KKAFRO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072137746 562728412 /nfs/dbraw/zinc/72/84/12/562728412.db2.gz INJVJPYETILOTK-PGUFJCEWSA-N 1 0 554.694 7.054 3 0 KKAFRO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072138339 562728742 /nfs/dbraw/zinc/72/87/42/562728742.db2.gz NOKGHPUTVAEQCP-SPWOZAQASA-N 1 0 696.043 6.663 3 0 KKAFRO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139365 562728885 /nfs/dbraw/zinc/72/88/85/562728885.db2.gz DLDMNWMLAYLBII-LJAQVGFWSA-N 1 0 534.487 6.538 3 0 KKAFRO C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[NH+]1CCCC1 ZINC000072139959 562729125 /nfs/dbraw/zinc/72/91/25/562729125.db2.gz DIVUWJFWEQMVAY-SMSORMJASA-N 1 0 503.090 5.812 1 0 KKAFRO C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[NH+]1CCCC1 ZINC000072139960 562729129 /nfs/dbraw/zinc/72/91/29/562729129.db2.gz DIVUWJFWEQMVAY-YKGWIAGDSA-N 1 0 503.090 5.812 1 0 KKAFRO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000072141174 562729300 /nfs/dbraw/zinc/72/93/00/562729300.db2.gz OHMGRBKOZJFUJS-GJBCSVNNSA-N 1 0 642.036 6.660 3 0 KKAFRO COc1cc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144111 562729712 /nfs/dbraw/zinc/72/97/12/562729712.db2.gz KYSNZZSMILMJBY-ZWXJPIIXSA-N 1 0 695.857 6.581 3 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)[nH]n4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000072147780 562729851 /nfs/dbraw/zinc/72/98/51/562729851.db2.gz XJWJWPUTACXQHR-UHFFFAOYSA-N 1 0 636.675 5.755 3 0 KKAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072148949 562730021 /nfs/dbraw/zinc/73/00/21/562730021.db2.gz QFAZSNXTORHKQD-SXOMAYOGSA-N 1 0 678.057 5.905 1 0 KKAFRO [NH3+]Cc1ccc([C@H]2O[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)[C@H](c3ccccc3)[C@@H](c3ccc(CO)cc3)O2)cc1 ZINC000072170649 562730363 /nfs/dbraw/zinc/73/03/63/562730363.db2.gz SXPUZKZLGVDJCU-KPJXUMIYSA-N 1 0 640.805 8.691 1 0 KKAFRO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000072173235 562730847 /nfs/dbraw/zinc/73/08/47/562730847.db2.gz MDBJKEVTZVRTPR-KDXMTYKHSA-N 1 0 547.696 5.537 1 0 KKAFRO C[N@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2)C1CCCCC1 ZINC000072173611 562731073 /nfs/dbraw/zinc/73/10/73/562731073.db2.gz RQRVPWMXIXVSBD-UHFFFAOYSA-N 1 0 548.152 7.036 1 0 KKAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NCC[NH+](C)C)cc3OC(F)(F)F)nc1-2 ZINC000072177126 562731721 /nfs/dbraw/zinc/73/17/21/562731721.db2.gz MJJRBRKTAAJGIY-UHFFFAOYSA-N 1 0 650.706 5.286 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNC(=O)c2ccccc2)C(C)C)C(C)C)ccc1OC ZINC000072178414 562732015 /nfs/dbraw/zinc/73/20/15/562732015.db2.gz FGSAUODHGXMKTL-YDPTYEFTSA-N 1 0 641.894 5.238 1 0 KKAFRO O=C(NCC1([NH+]2CCC(F)(F)CC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179830 562732421 /nfs/dbraw/zinc/73/24/21/562732421.db2.gz MCOIFFGRXSSZPI-UHFFFAOYSA-N 1 0 524.616 5.218 1 0 KKAFRO O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2cnccc2c1 ZINC000072180031 562732482 /nfs/dbraw/zinc/73/24/82/562732482.db2.gz IHFYQBCHSOVTQN-MUUNZHRXSA-N 1 0 504.461 6.925 1 0 KKAFRO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186169 562732998 /nfs/dbraw/zinc/73/29/98/562732998.db2.gz AHOIRQGPGBEGIH-HSZRJFAPSA-N 1 0 527.971 5.425 1 0 KKAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1 ZINC000073140372 562733606 /nfs/dbraw/zinc/73/36/06/562733606.db2.gz SDWQCOVERLZWAC-QNLPTKCRSA-N 1 0 599.600 5.697 1 0 KKAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 ZINC000073168234 562734688 /nfs/dbraw/zinc/73/46/88/562734688.db2.gz SNDXBLGCUUUDPP-XZLGBSMGSA-N 1 0 621.769 5.047 1 0 KKAFRO C[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073195685 562734956 /nfs/dbraw/zinc/73/49/56/562734956.db2.gz DLTKOAHMDSNZNU-ANOOVEMOSA-N 1 0 509.616 6.542 1 0 KKAFRO COc1cc2cc(c1OCC[NH+]1CCCC1)CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 ZINC000073197059 562735271 /nfs/dbraw/zinc/73/52/71/562735271.db2.gz YIDRUYNPCLUMDM-ONEGZZNKSA-N 1 0 515.658 5.141 1 0 KKAFRO CC[N@H+](Cc1ccncc1)Cc1cccc(-c2ccc(CC[NH2+]CCc3ccc([O-])c4[nH]c(=O)sc43)cc2)c1 ZINC000073197804 562735480 /nfs/dbraw/zinc/73/54/80/562735480.db2.gz LVCVCTIAAMQWIR-UHFFFAOYSA-N 1 0 538.717 5.754 1 0 KKAFRO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199725 562736009 /nfs/dbraw/zinc/73/60/09/562736009.db2.gz XWWBOYDUGHVMQG-ZEQRLZLVSA-N 1 0 526.633 5.201 1 0 KKAFRO C[C@H](Cc1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1)[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21 ZINC000073199509 562736029 /nfs/dbraw/zinc/73/60/29/562736029.db2.gz WONPWDMMWFWEFC-GYCJOSAFSA-N 1 0 546.520 5.189 1 0 KKAFRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4cc(Cl)ccn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073220434 562736272 /nfs/dbraw/zinc/73/62/72/562736272.db2.gz UROHBKKJZKBRDF-PBBMNAFMSA-N 1 0 539.145 5.757 1 0 KKAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)c1cccc(-c2coc3cccc(Cl)c3c2=O)c1 ZINC000073223992 562736567 /nfs/dbraw/zinc/73/65/67/562736567.db2.gz WHIWCHUIEMMUMQ-MUUNZHRXSA-N 1 0 527.064 6.907 1 0 KKAFRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccc(Br)cc1 ZINC000073224435 562736669 /nfs/dbraw/zinc/73/66/69/562736669.db2.gz SCXRDQGWPLPUEE-NEBIIKFJSA-N 1 0 588.015 6.511 1 0 KKAFRO O=C([C@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CCC2)C[C@@H]1c1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000073240634 562736892 /nfs/dbraw/zinc/73/68/92/562736892.db2.gz JSMNLSLVGSIRJL-KWXIBIRDSA-N 1 0 614.053 6.829 1 0 KKAFRO COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)N1C ZINC000073274173 562737211 /nfs/dbraw/zinc/73/72/11/562737211.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 1 0 638.761 6.523 1 0 KKAFRO Cn1cc(-c2ccc(C[NH+]3CCC4(CC3)O[C@@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)cn1 ZINC000073291781 562737510 /nfs/dbraw/zinc/73/75/10/562737510.db2.gz HJYIIXLZZZMLKU-MHZLTWQESA-N 1 0 505.449 6.400 1 0 KKAFRO O=C(OCC1=CCC[N@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000073389842 562738582 /nfs/dbraw/zinc/73/85/82/562738582.db2.gz ZAZGMTKMFFNBAG-MUUNZHRXSA-N 1 0 522.645 5.231 1 0 KKAFRO CCCOc1cccc2c1C[NH2+][C@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@@H](C)CC)C1=O)C2 ZINC000082139810 562739232 /nfs/dbraw/zinc/73/92/32/562739232.db2.gz UNHYCLXMUBLSOA-JBDRMLJOSA-N 1 0 718.886 5.011 1 0 KKAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140205 562739348 /nfs/dbraw/zinc/73/93/48/562739348.db2.gz ZCYSAJFRIDGCEZ-SSEXGKCCSA-N 1 0 660.042 5.671 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140394 562739444 /nfs/dbraw/zinc/73/94/44/562739444.db2.gz CNXQZTWZUOCTHS-MECJFHGGSA-N 1 0 714.732 5.069 1 0 KKAFRO CC(C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140460 562739466 /nfs/dbraw/zinc/73/94/66/562739466.db2.gz NCLGXQKSEWVACV-IYKBMPGESA-N 1 0 740.820 5.210 1 0 KKAFRO CCCCN(CCCC)c1ccc(-c2ccc(/C=C/c3cccc(/C=C/c4ccc(-c5ccc(N(CCCC)CCCC)s5)s4)[n+]3C)s2)s1 ZINC000082153110 562740154 /nfs/dbraw/zinc/74/01/54/562740154.db2.gz XEORRDUHXMMPSM-UHFFFAOYSA-N 1 0 729.183 13.245 1 0 KKAFRO O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082153265 562740162 /nfs/dbraw/zinc/74/01/62/562740162.db2.gz APBQTWKYJSLODA-UUWRZZSWSA-N 1 0 631.217 5.116 1 0 KKAFRO COC(=O)c1ccc(N(Cc2ccccc2)C2CC[NH+]([C@@H](C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 ZINC000082154126 562740275 /nfs/dbraw/zinc/74/02/75/562740275.db2.gz LRBNIEPMSKOVLH-NRFANRHFSA-N 1 0 569.533 5.855 1 0 KKAFRO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082155686 562740556 /nfs/dbraw/zinc/74/05/56/562740556.db2.gz XNZJTBRCBWPOTP-PBBNMVCDSA-N 1 0 539.701 5.679 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3nc(-c4ccc(N(C)C)cc4)c4ccccc4c3=O)CC2)c1 ZINC000082158349 562741106 /nfs/dbraw/zinc/74/11/06/562741106.db2.gz QBHRICSAYBDLRA-UHFFFAOYSA-N 1 0 523.681 5.358 1 0 KKAFRO O=c1[nH]c2c(s1)c(CC[NH2+]CCc1cccc(-c3cccc(C[NH2+]Cc4ccccc4)c3)c1)ccc2[O-] ZINC000082159895 562741121 /nfs/dbraw/zinc/74/11/21/562741121.db2.gz UGGHXKYYWLVRAE-UHFFFAOYSA-N 1 0 509.675 5.627 1 0 KKAFRO O=C(NCC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(OCc2ccccc2)c1OCc1ccccc1 ZINC000082170514 562741460 /nfs/dbraw/zinc/74/14/60/562741460.db2.gz UCNZXNUTUSYGOE-UHFFFAOYSA-N 1 0 664.806 7.199 1 0 KKAFRO Cn1cc(C(=O)NCCC[NH+](C)CCCNC(=O)c2cn(C)c3c2ccc2cc(Cl)c(Cl)cc32)c2ccc3cc(Cl)c(Cl)cc3c21 ZINC000082178464 562741708 /nfs/dbraw/zinc/74/17/08/562741708.db2.gz VTQLOYRNRAXPSC-UHFFFAOYSA-N 1 0 697.494 8.462 1 0 KKAFRO O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000084403324 562742972 /nfs/dbraw/zinc/74/29/72/562742972.db2.gz IVLYLWFIAOFDJF-UHFFFAOYSA-N 1 0 517.939 5.114 1 0 KKAFRO C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1 ZINC000084559237 562743356 /nfs/dbraw/zinc/74/33/56/562743356.db2.gz OLXUIYYQOXRLQS-AFAPVMNMSA-N 1 0 721.874 5.725 1 0 KKAFRO CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595489 562743579 /nfs/dbraw/zinc/74/35/79/562743579.db2.gz DYCREHHMIKZXHW-LEFKNYOOSA-N 1 0 626.764 6.629 1 0 KKAFRO Cc1cc(C[C@H](CC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000084596251 562743640 /nfs/dbraw/zinc/74/36/40/562743640.db2.gz LXIFAYJFJACLAX-GDLZYMKVSA-N 1 0 622.814 5.145 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(C[NH+]3CCCC3)ccn2)cc2c[nH]nc21 ZINC000084603735 562744235 /nfs/dbraw/zinc/74/42/35/562744235.db2.gz ZKPMAYYRIVMNLD-YTTGMZPUSA-N 1 0 590.728 6.004 1 0 KKAFRO CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N3CC[NH2+]CC3)ccc2N1C(=O)OC(C)C ZINC000084616693 562744653 /nfs/dbraw/zinc/74/46/53/562744653.db2.gz VQDQNQUTDHQJSA-GGAORHGYSA-N 1 0 655.648 5.334 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(C)c(Cl)c2)n1 ZINC000084618025 562744995 /nfs/dbraw/zinc/74/49/95/562744995.db2.gz ZNXQGTBBKARIEB-IZZNHLLZSA-N 1 0 555.113 6.641 1 0 KKAFRO COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)cc(=O)c2cc1OC ZINC000084632034 562745435 /nfs/dbraw/zinc/74/54/35/562745435.db2.gz KBYFEQRBOAAMSZ-UHFFFAOYSA-N 1 0 620.190 7.853 1 0 KKAFRO Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C[NH+]3CCCCC3)ccn2)cc2c[nH]nc21 ZINC000084635195 562746079 /nfs/dbraw/zinc/74/60/79/562746079.db2.gz SLKTUVPPNJWTAB-YTTGMZPUSA-N 1 0 607.759 6.185 1 0 KKAFRO O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000084635398 562746160 /nfs/dbraw/zinc/74/61/60/562746160.db2.gz UZWLXQMCFATWND-YTTGMZPUSA-N 1 0 641.665 6.765 1 0 KKAFRO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@](C)([NH3+])C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084653059 562746751 /nfs/dbraw/zinc/74/67/51/562746751.db2.gz GMOFRPHSPZPTTF-PFPZSTESSA-N 1 0 531.022 5.869 1 0 KKAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2cccnc2)C(=O)c2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653257 562746826 /nfs/dbraw/zinc/74/68/26/562746826.db2.gz JTJAAURYQNXGPD-WMELESEDSA-N 1 0 687.820 5.498 1 0 KKAFRO Clc1cccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CC[NH2+]CC4)cc3)o2)c1 ZINC000084653493 562746860 /nfs/dbraw/zinc/74/68/60/562746860.db2.gz AIOXNMPFHMQKSX-JGCGQSQUSA-N 1 0 563.061 6.364 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(c3ccc4ccccc4c3)C2=O)c1 ZINC000084653645 562746938 /nfs/dbraw/zinc/74/69/38/562746938.db2.gz CAAQIXNRUIJYOQ-UHFFFAOYSA-N 1 0 640.748 6.537 1 0 KKAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)c1 ZINC000084654052 562747190 /nfs/dbraw/zinc/74/71/90/562747190.db2.gz JARUUYXHPLGHLF-UHFFFAOYSA-N 1 0 604.715 5.379 1 0 KKAFRO C[C@H](Oc1cc(-c2cc(-c3cccc(C[NH+](C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654625 562747286 /nfs/dbraw/zinc/74/72/86/562747286.db2.gz SJDSHZKOFYRALI-SFHVURJKSA-N 1 0 534.582 6.317 1 0 KKAFRO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084654841 562747362 /nfs/dbraw/zinc/74/73/62/562747362.db2.gz AEPMTVIAOAXCNH-YHZWMNSLSA-N 1 0 659.810 5.815 1 0 KKAFRO C[C@@H](Oc1cc(-c2cc(-c3cc(C[NH+](C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084655195 562747404 /nfs/dbraw/zinc/74/74/04/562747404.db2.gz DNZGEPPZYMAFLN-MRXNPFEDSA-N 1 0 540.611 6.379 1 0 in-vitro KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670040 562748159 /nfs/dbraw/zinc/74/81/59/562748159.db2.gz KNVRDGWTVXRYGM-QNLLLTNSSA-N 1 0 664.809 9.899 1 0 KKAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690061 562749473 /nfs/dbraw/zinc/74/94/73/562749473.db2.gz HGGQOKYQEVUFKC-VTKNMLBTSA-N 1 0 576.685 5.249 1 0 KKAFRO CC[N@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690062 562749479 /nfs/dbraw/zinc/74/94/79/562749479.db2.gz PWPZLEJFRYZEQC-PLVHLFARSA-N 1 0 590.712 5.639 1 0 KKAFRO O[C@@](Cn1cncn1)(C[N@H+](CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000084706900 562750009 /nfs/dbraw/zinc/75/00/09/562750009.db2.gz DYDKUOPDSUSUNV-HHHXNRCGSA-N 1 0 575.429 5.317 1 0 KKAFRO Cc1ccc(C[N@H+](CCCOc2ccc(Br)cc2)C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706906 562750017 /nfs/dbraw/zinc/75/00/17/562750017.db2.gz NMAPRFKGBGQHBH-NDEPHWFRSA-N 1 0 571.466 5.486 1 0 KKAFRO Cc1cccnc1C[NH+]1CCC2(CC1)c1cc(Br)ccc1N(c1ccc(-c3ccccc3)cc1)C2=O ZINC000084712107 562750757 /nfs/dbraw/zinc/75/07/57/562750757.db2.gz YSFBPYKNKPRGMD-UHFFFAOYSA-N 1 0 538.489 7.032 1 0 KKAFRO CC(C)c1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])C2CCCCC2)cs1 ZINC000084712451 562750780 /nfs/dbraw/zinc/75/07/80/562750780.db2.gz VTXFZAQSBPURKC-UMSFTDKQSA-N 1 0 627.899 8.911 1 0 KKAFRO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724576 562751182 /nfs/dbraw/zinc/75/11/82/562751182.db2.gz HNULYTNKPUHCGU-HMUOYXPCSA-N 1 0 564.689 7.592 1 0 KKAFRO COc1ccc(CC[NH2+][C@@H](CO)c2cccc(COc3cccc(C(=O)c4ccc(Cl)cc4)c3)c2)cc1 ZINC000084759390 562752916 /nfs/dbraw/zinc/75/29/16/562752916.db2.gz FWKYIIDJKXDFRJ-PMERELPUSA-N 1 0 516.037 6.024 1 0 KKAFRO COc1cc2nc(Nc3ccc(C(F)(F)F)cc3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000095493486 562753724 /nfs/dbraw/zinc/75/37/24/562753724.db2.gz GFBAZLNIPOIHQB-UHFFFAOYSA-N 1 0 503.569 6.087 1 0 KKAFRO CCc1c(C)[nH]c([C@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)c1C ZINC000095536796 562754179 /nfs/dbraw/zinc/75/41/79/562754179.db2.gz DBVDFXZXXOCVEX-YUDQIZAISA-N 1 0 519.649 5.770 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cccc3cccnc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095538396 562754767 /nfs/dbraw/zinc/75/47/67/562754767.db2.gz WRDLRCHZROEHJX-OQRWGPCTSA-N 1 0 765.945 5.110 1 0 KKAFRO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538448 562754774 /nfs/dbraw/zinc/75/47/74/562754774.db2.gz DERHYILBHUKLGL-VMPBLTEISA-N 1 0 810.805 6.531 1 0 in-vivo KKAFRO CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 ZINC000095539428 562755063 /nfs/dbraw/zinc/75/50/63/562755063.db2.gz FSQMPBMPAVBLCK-QXBIGOIGSA-N 1 0 748.847 6.271 1 0 KKAFRO CC(C)C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000095540241 562755586 /nfs/dbraw/zinc/75/55/86/562755586.db2.gz LOMAZTFGYVJFGL-WINTZHOJSA-N 1 0 812.939 8.358 1 0 KKAFRO CS(=O)(=O)Nc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000095540595 562755844 /nfs/dbraw/zinc/75/58/44/562755844.db2.gz OBCMJQIOJSEAIS-NDEPHWFRSA-N 1 0 590.573 5.446 1 0 KKAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(Cl)cc2)CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000095541424 562756118 /nfs/dbraw/zinc/75/61/18/562756118.db2.gz VCQWJODDXMLQBL-JTTJSRJUSA-N 1 0 780.322 6.392 1 0 KKAFRO Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095541474 562756147 /nfs/dbraw/zinc/75/61/47/562756147.db2.gz BUPULZSGJRTAJI-QLKFWGTOSA-N 1 0 787.962 5.803 1 0 KKAFRO COc1ccc(N(CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[NH2+]CC1 ZINC000095544847 562757940 /nfs/dbraw/zinc/75/79/40/562757940.db2.gz UWWUPWHJJGQRAH-UHFFFAOYSA-N 1 0 812.524 8.015 1 0 KKAFRO COC(=O)c1ccccc1OCCCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095545713 562758209 /nfs/dbraw/zinc/75/82/09/562758209.db2.gz OFMHVSNETOZSQH-MFERNQICSA-N 1 0 802.969 7.477 1 0 KKAFRO CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCNS(C)(=O)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000095546436 562758494 /nfs/dbraw/zinc/75/84/94/562758494.db2.gz CGRFGUBWGDHTDB-UHFFFAOYSA-N 1 0 747.881 5.823 1 0 KKAFRO C[NH+](C)CCCNc1nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000095548856 562759549 /nfs/dbraw/zinc/75/95/49/562759549.db2.gz UCQUJNSURCNKTH-UHFFFAOYSA-N 1 0 753.893 6.615 1 0 KKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548851 562759557 /nfs/dbraw/zinc/75/95/57/562759557.db2.gz OWLIDSNTELINGK-CAMIKBECSA-N 1 0 744.827 6.175 1 0 KKAFRO C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548853 562759566 /nfs/dbraw/zinc/75/95/66/562759566.db2.gz LSIFUWIWPRWHMV-YFVMGWHOSA-N 1 0 778.844 6.372 1 0 KKAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3cccc(C(F)(F)F)c3)C[NH2+]2)C1=O ZINC000095548869 562759577 /nfs/dbraw/zinc/75/95/77/562759577.db2.gz FAJUKEHUTZFPSJ-CCTGQMBJSA-N 1 0 772.856 5.474 1 0 KKAFRO COc1cc(/C=C/C(=O)NCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCCCCCO[N+](=O)[O-] ZINC000095552617 562760683 /nfs/dbraw/zinc/76/06/83/562760683.db2.gz BUTINQKWVMUCFM-BMRADRMJSA-N 1 0 562.667 5.511 1 0 KKAFRO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2cccnc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095551654 562760366 /nfs/dbraw/zinc/76/03/66/562760366.db2.gz KEVDPGRCNRARCY-UHFFFAOYSA-N 1 0 745.793 7.213 1 0 KKAFRO CCc1c(I)c(C)c(Oc2c(I)c(C)c(CC[NH3+])c(C)c2I)c(C)c1I ZINC000095551979 562760472 /nfs/dbraw/zinc/76/04/72/562760472.db2.gz PVIWJJWWJCHRBK-UHFFFAOYSA-N 1 0 801.026 7.195 1 0 KKAFRO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(Cl)cc1 ZINC000095557039 562761925 /nfs/dbraw/zinc/76/19/25/562761925.db2.gz HVOHLZRJSNDUAD-QJKWIJLYSA-N 1 0 664.312 7.384 1 0 KKAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)CCCCC[NH3+])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000095560137 562762998 /nfs/dbraw/zinc/76/29/98/562762998.db2.gz BOCXXIPLRLEKKJ-AAPULDEBSA-N 1 0 527.790 6.784 1 0 KKAFRO C[C@@H](Oc1nc(C(F)(F)F)nc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000095561157 562763309 /nfs/dbraw/zinc/76/33/09/562763309.db2.gz SETWYWQBTXSUSB-GFCCVEGCSA-N 1 0 555.363 6.418 1 0 KKAFRO C[NH+]1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C ZINC000095561428 562763379 /nfs/dbraw/zinc/76/33/79/562763379.db2.gz INOASWZOZPQAQM-UHFFFAOYSA-N 1 0 548.688 6.294 1 0 KKAFRO CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@H]1C[NH2+]CCO1)C4(C)C ZINC000095562289 562763637 /nfs/dbraw/zinc/76/36/37/562763637.db2.gz RVLXPDUQUJIBNC-BLFUPLJTSA-N 1 0 602.857 5.251 1 0 KKAFRO O=c1cc(-c2ccc(OCCOCC[NH2+]CCOCCOc3ccc(-c4cc(=O)c5cc(F)ccc5o4)cc3)cc2)oc2ccc(F)cc12 ZINC000095562318 562763663 /nfs/dbraw/zinc/76/36/63/562763663.db2.gz OKRPHASKUFTHHG-UHFFFAOYSA-N 1 0 669.677 6.592 1 0 KKAFRO COc1ccccc1N1CC[NH+](CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000095564384 562764295 /nfs/dbraw/zinc/76/42/95/562764295.db2.gz SRHLBJRVURTLAU-UHFFFAOYSA-N 1 0 762.175 8.909 1 0 KKAFRO Cc1cccc2nc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc12 ZINC000095565636 562764644 /nfs/dbraw/zinc/76/46/44/562764644.db2.gz XKEHOFRDOAAVHY-UHFFFAOYSA-N 1 0 525.656 7.165 3 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566273 562764842 /nfs/dbraw/zinc/76/48/42/562764842.db2.gz PKQAAOKAAVIVOG-YIIHMFSRSA-N 1 0 694.789 5.246 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566317 562764888 /nfs/dbraw/zinc/76/48/88/562764888.db2.gz UEDLRIRBQUSIHX-URCPOSBSSA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095566423 562764938 /nfs/dbraw/zinc/76/49/38/562764938.db2.gz AOGINIYPPPQZNW-CQKZLPGDSA-N 1 0 702.856 5.546 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566846 562765302 /nfs/dbraw/zinc/76/53/02/562765302.db2.gz RBOAJFBNHJWMOW-DOKVQHETSA-N 1 0 684.800 7.277 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566902 562765362 /nfs/dbraw/zinc/76/53/62/562765362.db2.gz IXNRSUPNSZLJQC-AODHNJGLSA-N 1 0 700.840 6.670 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567054 562765484 /nfs/dbraw/zinc/76/54/84/562765484.db2.gz HOPYMWLRLXEYET-KFDAFQGLSA-N 1 0 708.816 5.175 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567557 562765936 /nfs/dbraw/zinc/76/59/36/562765936.db2.gz IFLLFBGKWUQYRJ-CNIZKOLKSA-N 1 0 721.899 6.941 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567902 562766183 /nfs/dbraw/zinc/76/61/83/562766183.db2.gz UEDLRIRBQUSIHX-FNFPNEPISA-N 1 0 642.675 5.359 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568025 562766213 /nfs/dbraw/zinc/76/62/13/562766213.db2.gz TWOWYTAAZQEFAQ-NPPPIGHJSA-N 1 0 634.802 6.568 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568332 562766525 /nfs/dbraw/zinc/76/65/25/562766525.db2.gz CMTIPOGQFXEGCZ-AZAGJHQNSA-N 1 0 655.840 5.321 1 0 KKAFRO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095568350 562766578 /nfs/dbraw/zinc/76/65/78/562766578.db2.gz VFZKAXWKAPYYIB-BSUMSBOOSA-N 1 0 748.075 6.724 3 0 KKAFRO 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 ZINC000095568589 562766731 /nfs/dbraw/zinc/76/67/31/562766731.db2.gz FGZYRMRERWZGKV-YHGPEZAFSA-N 1 0 614.665 5.710 1 0 KKAFRO 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 ZINC000095568591 562766753 /nfs/dbraw/zinc/76/67/53/562766753.db2.gz FGZYRMRERWZGKV-GGJMMHKRSA-N 1 0 614.665 5.710 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095568871 562766916 /nfs/dbraw/zinc/76/69/16/562766916.db2.gz NPROPWLENAWEMC-RNDKRWLGSA-N 1 0 610.730 6.489 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568899 562767038 /nfs/dbraw/zinc/76/70/38/562767038.db2.gz QLYAZMSBNLAUET-JOUUIMRQSA-N 1 0 692.842 5.735 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570192 562768002 /nfs/dbraw/zinc/76/80/02/562768002.db2.gz WPPOVSPAEBFYOJ-ISVMRZDUSA-N 1 0 652.748 6.204 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570975 562768699 /nfs/dbraw/zinc/76/86/99/562768699.db2.gz UIWHTZIAIXNFGN-XLCATFGMSA-N 1 0 718.880 6.249 1 0 KKAFRO 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)cc2C1=O ZINC000095571036 562768705 /nfs/dbraw/zinc/76/87/05/562768705.db2.gz ILXAKKDOMJRPPA-RXEHIIAQSA-N 1 0 624.562 5.285 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095571121 562768780 /nfs/dbraw/zinc/76/87/80/562768780.db2.gz VYACBIYDVUCBDQ-BIALHBOASA-N 1 0 641.017 5.800 1 0 KKAFRO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)[N@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095571249 562768864 /nfs/dbraw/zinc/76/88/64/562768864.db2.gz DZGZFXRKNSZUSK-MKGJDZFWSA-N 1 0 573.738 5.285 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571206 562768899 /nfs/dbraw/zinc/76/88/99/562768899.db2.gz WZRJGOIAGUHCGN-FSQFJQELSA-N 1 0 653.529 7.008 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095571461 562769069 /nfs/dbraw/zinc/76/90/69/562769069.db2.gz XHCFGJIATIGRMD-JQASONJCSA-N 1 0 650.780 5.517 1 0 KKAFRO CN(CCCCCCCC[N@H+](C)Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095573564 562769735 /nfs/dbraw/zinc/76/97/35/562769735.db2.gz QSCUQGSALNRSCA-UHFFFAOYSA-N 1 0 559.758 7.308 1 0 KKAFRO COCC(=O)N[C@@H](Cc1cc(-c2nccs2)ccc1F)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095575009 562770157 /nfs/dbraw/zinc/77/01/57/562770157.db2.gz GJNXRLZLOPXPDU-GMQQYTKMSA-N 1 0 596.769 5.004 1 0 KKAFRO O=C(CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)NCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095575576 562770366 /nfs/dbraw/zinc/77/03/66/562770366.db2.gz VGQNFBMJENACNX-UHFFFAOYSA-N 1 0 562.139 6.618 1 0 KKAFRO O=C([O-])[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095576746 562770721 /nfs/dbraw/zinc/77/07/21/562770721.db2.gz NMLHPAJBQUFHAV-VWLOTQADSA-N 1 0 559.456 6.263 1 0 KKAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1cccc(-c3nccs3)c1)NC(=O)[C@H]1CCCO1)CC1(CCC1)O2 ZINC000095578118 562771156 /nfs/dbraw/zinc/77/11/56/562771156.db2.gz DZIXUQJNRCUJQW-QUAHOIDUSA-N 1 0 604.817 5.397 1 0 KKAFRO CC[NH+](CC)CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000095579657 562771590 /nfs/dbraw/zinc/77/15/90/562771590.db2.gz MGWVYEWGEGQNCN-UHFFFAOYSA-N 1 0 507.465 7.582 1 0 KKAFRO COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2cc1OC ZINC000095586269 562773885 /nfs/dbraw/zinc/77/38/85/562773885.db2.gz KODPGXXJIKNGCP-RPWUZVMVSA-N 1 0 573.719 5.037 1 0 KKAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2ccc(OC)cc2)c1 ZINC000095588698 562774700 /nfs/dbraw/zinc/77/47/00/562774700.db2.gz DACJXLUHXGBKRZ-IOWSJCHKSA-N 1 0 559.751 5.184 1 0 KKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)scc4[S@](C)=O)[nH]2)cc1 ZINC000095589129 562774829 /nfs/dbraw/zinc/77/48/29/562774829.db2.gz RENJVVIMBVMZFF-PGUFJCEWSA-N 1 0 502.665 5.698 1 0 KKAFRO CC[NH+](CC)CCOC(=O)[C@H](Cc1ccc(-c2c(=O)n(C)c(C)cc2C(F)(F)F)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095592032 562775804 /nfs/dbraw/zinc/77/58/04/562775804.db2.gz LCEHGBPILWMVQF-DEOSSOPVSA-N 1 0 626.503 5.912 1 0 KKAFRO Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000095592494 562775942 /nfs/dbraw/zinc/77/59/42/562775942.db2.gz DGHGOSYIEYKLFG-UHFFFAOYSA-N 1 0 611.233 10.637 1 0 KKAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[NH2+]C45CC6CC(CC(C6)C4)C5)c(C)c3oc2=O)ccc1O ZINC000095596687 562777071 /nfs/dbraw/zinc/77/70/71/562777071.db2.gz BXJRMTZOIJZJSP-UHFFFAOYSA-N 1 0 570.730 6.895 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095598739 562777507 /nfs/dbraw/zinc/77/75/07/562777507.db2.gz VEPDEMYFDLWGKS-QVEDPAKJSA-N 1 0 699.842 5.283 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095599293 562777970 /nfs/dbraw/zinc/77/79/70/562777970.db2.gz LYMUYLCMDRKWKZ-KAUPTSPVSA-N 1 0 601.791 7.002 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=[NH+][C@H]1c1cccc(F)c1 ZINC000095599365 562778011 /nfs/dbraw/zinc/77/80/11/562778011.db2.gz BLXBKGPBZTWPNA-SANMLTNESA-N 1 0 541.545 6.003 3 0 KKAFRO 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 ZINC000095599409 562778075 /nfs/dbraw/zinc/77/80/75/562778075.db2.gz STCNQGKHPZHYJD-SCZOVYFASA-N 1 0 711.826 6.096 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599875 562778407 /nfs/dbraw/zinc/77/84/07/562778407.db2.gz ZKPAWGOFKUDAFA-BWDKEVCWSA-N 1 0 685.788 6.672 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095599885 562778430 /nfs/dbraw/zinc/77/84/30/562778430.db2.gz BUVQCSUCFPTBFF-XNSHOJTPSA-N 1 0 572.750 6.216 1 0 KKAFRO 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)Nc3ccccc3)cc2C1=O ZINC000095599924 562778443 /nfs/dbraw/zinc/77/84/43/562778443.db2.gz CHFYKRHHVBHPRB-SUCLBKFRSA-N 1 0 685.693 7.565 1 0 KKAFRO 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 ZINC000095600350 562778825 /nfs/dbraw/zinc/77/88/25/562778825.db2.gz XGMQKVJTWVADHD-MCYUDXQTSA-N 1 0 714.826 7.286 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095600528 562778945 /nfs/dbraw/zinc/77/89/45/562778945.db2.gz WSWWOBQXWOAKQJ-FLGDYYPQSA-N 1 0 637.608 6.018 1 0 KKAFRO 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(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600652 562779093 /nfs/dbraw/zinc/77/90/93/562779093.db2.gz KTOLAWMRFLMANX-WKOYJDCPSA-N 1 0 683.812 6.814 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[NH+](C)C)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600676 562779182 /nfs/dbraw/zinc/77/91/82/562779182.db2.gz GMYAYTAKTSTYEI-STFWXSJUSA-N 1 0 608.702 5.707 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc54)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600841 562779283 /nfs/dbraw/zinc/77/92/83/562779283.db2.gz KGUBXXXSQYSQMA-DDAOWKICSA-N 1 0 696.889 7.420 1 0 KKAFRO 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(F)cc3)cc2C1=O ZINC000095600963 562779364 /nfs/dbraw/zinc/77/93/64/562779364.db2.gz AFYWTTPVIQZCSA-BNGFFDTHSA-N 1 0 678.802 6.126 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095600984 562779387 /nfs/dbraw/zinc/77/93/87/562779387.db2.gz ORNNHAIJDBYIOA-CGQTXMLISA-N 1 0 590.592 5.793 1 0 KKAFRO COc1cc2c(c(OCC[NH+]3CCCCCC3)c1)[C@H](c1c(OC)ccc3ccccc31)[C@@H](c1ccccc1)C2(C)C ZINC000095601117 562779425 /nfs/dbraw/zinc/77/94/25/562779425.db2.gz MALFHTKEYMUOJB-MPQUPPDSSA-N 1 0 549.755 8.319 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601295 562779548 /nfs/dbraw/zinc/77/95/48/562779548.db2.gz MDVGURPVGABTFV-SOTYFPCESA-N 1 0 610.711 5.565 1 0 KKAFRO COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CC[NH+](Cc4ccccc4)CC3)/c(=N/c3ccccc3)oc21 ZINC000095601464 562779617 /nfs/dbraw/zinc/77/96/17/562779617.db2.gz AAYBCINOWIIZPS-ZSWXBHCYSA-N 1 0 623.551 7.011 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601658 562779655 /nfs/dbraw/zinc/77/96/55/562779655.db2.gz FKTABSPDLVGIRZ-LXKQQKLJSA-N 1 0 710.872 7.140 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095601617 562779676 /nfs/dbraw/zinc/77/96/76/562779676.db2.gz KMMQDOVCDINFEJ-KAUPTSPVSA-N 1 0 657.833 5.869 1 0 KKAFRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2c(-c3cccc4ccccc43)sc(-c3cccc4ccccc43)c21 ZINC000095601767 562779797 /nfs/dbraw/zinc/77/97/97/562779797.db2.gz GNAKZZHCWFELFA-UHFFFAOYSA-N 1 0 551.711 9.050 1 0 KKAFRO COc1ccc(C[N@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095601957 562779834 /nfs/dbraw/zinc/77/98/34/562779834.db2.gz JULLQOCSFVORMO-JDJCDPLLSA-N 1 0 681.896 5.732 1 0 KKAFRO COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CC[NH+](Cc4ccccc4)CC3)c(=N)oc21 ZINC000095602246 562780020 /nfs/dbraw/zinc/78/00/20/562780020.db2.gz UVVDQXUOAJAEPH-UHFFFAOYSA-N 1 0 547.453 5.258 1 0 KKAFRO 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(NC(=O)c3ccccc3)cc2C1=O ZINC000095602405 562780041 /nfs/dbraw/zinc/78/00/41/562780041.db2.gz KVYNYDNSHYPGTF-GMERYBDXSA-N 1 0 669.785 6.885 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095602375 562780071 /nfs/dbraw/zinc/78/00/71/562780071.db2.gz NILCQTKEVAIMRT-NWWIOOOSSA-N 1 0 613.884 6.513 1 0 KKAFRO COc1ccc(NC(=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)O3)cc1 ZINC000095602663 562780130 /nfs/dbraw/zinc/78/01/30/562780130.db2.gz JRHQODKPGBTKIY-CGQTXMLISA-N 1 0 614.665 5.710 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603051 562780347 /nfs/dbraw/zinc/78/03/47/562780347.db2.gz QMWRRMYICQUONI-FQWYTPLZSA-N 1 0 627.807 5.435 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095603454 562780543 /nfs/dbraw/zinc/78/05/43/562780543.db2.gz UFTUBZJHXRESLK-HOPFVHLTSA-N 1 0 724.723 6.861 1 0 KKAFRO CC[C@@H](c1nc2ccccc2n1Cc1ccccc1)N(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000095603591 562780589 /nfs/dbraw/zinc/78/05/89/562780589.db2.gz VKZGMMBKGXVSPD-SANMLTNESA-N 1 0 533.514 6.392 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095604076 562780813 /nfs/dbraw/zinc/78/08/13/562780813.db2.gz PMSXCOZUFRLTET-VIPXIGFPSA-N 1 0 660.737 7.369 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095604554 562781060 /nfs/dbraw/zinc/78/10/60/562781060.db2.gz PEUKOTPXCYQHOA-ZIZQKJAQSA-N 1 0 690.848 7.657 1 0 KKAFRO Oc1ccc(C[C@@H](C[N@@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604542 562781062 /nfs/dbraw/zinc/78/10/62/562781062.db2.gz WOMGVMCAFXSGAU-SPWOZAQASA-N 1 0 696.043 6.663 3 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095605358 562781476 /nfs/dbraw/zinc/78/14/76/562781476.db2.gz RBOAJFBNHJWMOW-BWLKTWDLSA-N 1 0 684.800 7.277 1 0 KKAFRO 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)c3ccc(F)cc3)cc2C1=O ZINC000095605414 562781532 /nfs/dbraw/zinc/78/15/32/562781532.db2.gz UFTUBZJHXRESLK-MEEIBLSFSA-N 1 0 724.723 6.861 1 0 KKAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095605639 562781636 /nfs/dbraw/zinc/78/16/36/562781636.db2.gz ISGWUMSRLISZDA-IHLWBQKJSA-N 1 0 720.760 7.030 1 0 KKAFRO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000095606418 562782057 /nfs/dbraw/zinc/78/20/57/562782057.db2.gz HBHXAVXLZKWCKM-PBFQYQTBSA-N 1 0 622.801 6.565 1 0 KKAFRO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2cnccc2s1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095606783 562782423 /nfs/dbraw/zinc/78/24/23/562782423.db2.gz ANNUMOOPAZTSPK-PDUYYWEESA-N 1 0 828.379 6.064 1 0 KKAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000095607674 562783021 /nfs/dbraw/zinc/78/30/21/562783021.db2.gz ORPYCWJPNJKZIA-IWWXRALLSA-N 1 0 635.293 6.124 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(C[NH+]5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 ZINC000095608459 562783537 /nfs/dbraw/zinc/78/35/37/562783537.db2.gz HTOJUIVQXWRKOG-HUESYALOSA-N 1 0 773.935 5.413 1 0 KKAFRO Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(C[NH+]4CCCCC4)c3)C2=O)c1 ZINC000095608623 562783614 /nfs/dbraw/zinc/78/36/14/562783614.db2.gz KABZRBRZZFAAPS-USYZEHPZSA-N 1 0 785.990 6.575 1 0 KKAFRO COC(=O)c1ccccc1OCCCn1c2ccccc2nc1C(=O)C1CC[NH+](CC[C@@]2(c3ccccc3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)CC1 ZINC000095610454 562784428 /nfs/dbraw/zinc/78/44/28/562784428.db2.gz ZFPPUHTZTYNOKP-YACUFSJGSA-N 1 0 788.942 7.087 1 0 KKAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3sccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095611292 562784974 /nfs/dbraw/zinc/78/49/74/562784974.db2.gz FIDINZVZPKCZGM-BJOKJEISSA-N 1 0 771.974 5.171 1 0 KKAFRO CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3ccncc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095612470 562785510 /nfs/dbraw/zinc/78/55/10/562785510.db2.gz YULBNWHGLGHOLZ-YLLZIJHKSA-N 1 0 820.981 5.291 1 0 KKAFRO CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095614951 562786972 /nfs/dbraw/zinc/78/69/72/562786972.db2.gz CRKOTSRUMMTXGU-PHLYTOKQSA-N 1 0 780.020 5.663 1 0 KKAFRO COc1cc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000095615148 562787140 /nfs/dbraw/zinc/78/71/40/562787140.db2.gz BOJLJYRVWHJBLQ-MKPDMIMOSA-N 1 0 744.847 7.819 1 0 KKAFRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670061 562788245 /nfs/dbraw/zinc/78/82/45/562788245.db2.gz YWKQKXOEKQEVAI-WIOPSUGQSA-N 1 0 527.505 6.606 1 0 KKAFRO CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@H+](Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688963 562788407 /nfs/dbraw/zinc/78/84/07/562788407.db2.gz JEZVAYALKLQWEA-ISTJGCCRSA-N 1 0 558.723 5.493 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095782198 562789060 /nfs/dbraw/zinc/78/90/60/562789060.db2.gz RKGZPYZYFFYRHI-RYOMNGFGSA-N 1 0 606.767 6.279 1 0 KKAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797999 562789163 /nfs/dbraw/zinc/78/91/63/562789163.db2.gz CRAILXCFJDOKOF-TVUFSCHNSA-N 1 0 548.727 6.511 1 0 KKAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095853745 562789549 /nfs/dbraw/zinc/78/95/49/562789549.db2.gz YLCYRDPZGWCEPF-ISVMRZDUSA-N 1 0 631.770 5.646 1 0 KKAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867160 562789805 /nfs/dbraw/zinc/78/98/05/562789805.db2.gz WCXPCWVVNYKWAF-DXZWXPFGSA-N 1 0 659.831 6.170 1 0 KKAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869020 562789930 /nfs/dbraw/zinc/78/99/30/562789930.db2.gz DXNHWVNJBJSZGC-IQLGONJTSA-N 1 0 541.692 5.041 1 0 KKAFRO COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)[NH2+]CC5 ZINC000095910145 562790310 /nfs/dbraw/zinc/79/03/10/562790310.db2.gz AFGMWONXXNDGGE-UIOOFZCWSA-N 1 0 548.639 6.606 1 0 biogenic,in-vitro KKAFRO Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12 ZINC000096167821 562790638 /nfs/dbraw/zinc/79/06/38/562790638.db2.gz YYPYASRAHWXLNS-UHFFFAOYSA-N 1 0 643.169 5.991 1 0 KKAFRO C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170440 562791105 /nfs/dbraw/zinc/79/11/05/562791105.db2.gz LNKSCGISMNPUMD-GGXMVOPNSA-N 1 0 530.540 6.444 1 0 KKAFRO CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C[NH+]3CCCC3)cc2n1Cc1ccccc1 ZINC000096172218 562791322 /nfs/dbraw/zinc/79/13/22/562791322.db2.gz WUEUDGAREIYORK-UHFFFAOYSA-N 1 0 501.621 6.617 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccccn3)c3ncc(N(C)CC[NH+](C)C)nc23)c1Cl ZINC000096173409 562791373 /nfs/dbraw/zinc/79/13/73/562791373.db2.gz MVSKVMADGSHVMB-UHFFFAOYSA-N 1 0 555.466 5.266 1 0 KKAFRO O=S(=O)(CC1CCCCC1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174081 562791621 /nfs/dbraw/zinc/79/16/21/562791621.db2.gz VVJBKHWQBSHHTE-UHFFFAOYSA-N 1 0 583.762 5.517 1 0 KKAFRO O=C(NCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174112 562791703 /nfs/dbraw/zinc/79/17/03/562791703.db2.gz HZXDABRCRGDJRG-UHFFFAOYSA-N 1 0 605.146 6.213 1 0 KKAFRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1Cl ZINC000096174105 562791726 /nfs/dbraw/zinc/79/17/26/562791726.db2.gz KIGUEMCTKTYNPR-UHFFFAOYSA-N 1 0 607.118 6.501 1 0 KKAFRO COCC[NH+]1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000096175726 562791914 /nfs/dbraw/zinc/79/19/14/562791914.db2.gz ZXVNDOPTIWSBIH-UHFFFAOYSA-N 1 0 595.626 5.125 1 0 KKAFRO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CC[NH+](CC6CC6)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175767 562791984 /nfs/dbraw/zinc/79/19/84/562791984.db2.gz XRNSWZMAVCFKEP-UHFFFAOYSA-N 1 0 685.895 6.671 1 0 KKAFRO CCC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175768 562792020 /nfs/dbraw/zinc/79/20/20/562792020.db2.gz IRDPPYAERNGDPE-UHFFFAOYSA-N 1 0 673.884 6.671 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000096177887 562792420 /nfs/dbraw/zinc/79/24/20/562792420.db2.gz KLVHMGYISDAIRN-MUUNZHRXSA-N 1 0 670.198 6.998 1 0 KKAFRO CCCc1scc(-c2cn[nH]c2)c1C[C@H](NC1=[NH+]C(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269756 562792995 /nfs/dbraw/zinc/79/29/95/562792995.db2.gz VZGLRGZNIAWDHX-QFIPXVFZSA-N 1 0 521.090 5.482 1 0 KKAFRO CC[NH+](CC)CCN(C)[C@@H](C)c1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269791 562793070 /nfs/dbraw/zinc/79/30/70/562793070.db2.gz HIUBDEQUJJHTKT-MHZLTWQESA-N 1 0 747.907 7.872 1 0 KKAFRO C[NH+](C)Cc1cccc(-c2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)c1 ZINC000096269946 562793094 /nfs/dbraw/zinc/79/30/94/562793094.db2.gz CMTGUQQGJIMPNK-UHFFFAOYSA-N 1 0 512.629 7.683 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c3ccccc3c2=O)cc1F ZINC000096270732 562793303 /nfs/dbraw/zinc/79/33/03/562793303.db2.gz FDCKDXZISZRERO-UHFFFAOYSA-N 1 0 727.715 8.010 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c3ccccc3c2=O)cc1F ZINC000096270759 562793351 /nfs/dbraw/zinc/79/33/51/562793351.db2.gz QVRRVDVQZFLJPI-UHFFFAOYSA-N 1 0 752.641 8.144 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1F ZINC000096271510 562793744 /nfs/dbraw/zinc/79/37/44/562793744.db2.gz HJPZKRAXGGLLCM-UHFFFAOYSA-N 1 0 670.785 9.143 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000096271296 562793791 /nfs/dbraw/zinc/79/37/91/562793791.db2.gz YDQYIAXXCQRXAP-UHFFFAOYSA-N 1 0 612.218 7.646 1 0 KKAFRO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](c2ccc(Cl)cc2)([NH+](C)C)C(C)(C)C1 ZINC000096272237 562794002 /nfs/dbraw/zinc/79/40/02/562794002.db2.gz ZHKTTWXMVJEZDY-KCWPFWIISA-N 1 0 504.502 5.463 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC2CCC2)cc1C1CC[NH2+]CC1 ZINC000096272780 562794298 /nfs/dbraw/zinc/79/42/98/562794298.db2.gz KZXIZEAAKHQALQ-UHFFFAOYSA-N 1 0 570.159 6.506 1 0 KKAFRO C[C@H](Oc1c2occ(-c3cnn(C4CC[NH2+]CC4)c3)c2cnc1N)c1c(Cl)ccc(Cl)c1Cl ZINC000096273085 562794415 /nfs/dbraw/zinc/79/44/15/562794415.db2.gz STXPRFFEROUFAY-LBPRGKRZSA-N 1 0 506.821 6.298 1 0 KKAFRO C[NH+](C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1 ZINC000096282437 562794653 /nfs/dbraw/zinc/79/46/53/562794653.db2.gz ZATPRXWLTXOXAQ-UHFFFAOYSA-N 1 0 564.286 6.414 1 0 KKAFRO CCC[C@@]1(C)C[C@H]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 ZINC000096282257 562794657 /nfs/dbraw/zinc/79/46/57/562794657.db2.gz GGDJHNWKACMLOC-MHTMXISKSA-N 1 0 516.673 5.634 1 0 KKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000096284291 562795074 /nfs/dbraw/zinc/79/50/74/562795074.db2.gz BAWPCIRDHSZWMX-NOZRDPDXSA-N 1 0 514.554 6.758 1 0 KKAFRO C[C@H](c1ccc(-c2ccc(F)cc2)cc1)n1c2ccccc2n(C2CCN(C(=O)C3CC[NH+](Cc4ccnc(N)c4)CC3)CC2)c1=O ZINC000096285298 562795495 /nfs/dbraw/zinc/79/54/95/562795495.db2.gz JMFRZCFVKSIBHG-AREMUKBSSA-N 1 0 632.784 6.271 1 0 KKAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccc(Br)c2)CC1 ZINC000096285338 562795509 /nfs/dbraw/zinc/79/55/09/562795509.db2.gz ZRBNRFQNYULVHS-KMRXNPHXSA-N 1 0 611.629 5.640 1 0 KKAFRO Cc1cc(F)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285358 562795549 /nfs/dbraw/zinc/79/55/49/562795549.db2.gz RABMHVAUKSATIA-MNNSJKJDSA-N 1 0 564.750 5.325 1 0 KKAFRO Cc1cccc([C@H]2CN(C3CCCCC3)C(=O)N2C2CC[NH+]([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285365 562795557 /nfs/dbraw/zinc/79/55/57/562795557.db2.gz WZRAMHXCXACTHM-RNWIMVQKSA-N 1 0 546.760 5.186 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1ccc(-c2cnc(N)c(S[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1 ZINC000096285926 562795930 /nfs/dbraw/zinc/79/59/30/562795930.db2.gz KSAAQWQFZSMFEC-MRXNPFEDSA-N 1 0 535.516 6.702 1 0 KKAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286089 562796080 /nfs/dbraw/zinc/79/60/80/562796080.db2.gz XTOCLIMUJPTPGR-GOSISDBHSA-N 1 0 590.709 5.245 1 0 KKAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)[C@H]3Cc4ccccc4CN3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000096319070 562796644 /nfs/dbraw/zinc/79/66/44/562796644.db2.gz TWSXEPWFFLQDCT-HEWHEBQFSA-N 1 0 614.234 5.052 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907740 562799194 /nfs/dbraw/zinc/79/91/94/562799194.db2.gz DUMWFMFWWQGRCL-XZJHWRHTSA-N 1 0 664.644 7.035 1 0 KKAFRO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907736 562799217 /nfs/dbraw/zinc/79/92/17/562799217.db2.gz IZDKLOCKHFWMCL-GPNASLBKSA-N 1 0 588.546 5.445 1 0 KKAFRO C[C@](O)(CCC[NH2+]CCc1ccc(Cl)cc1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908073 562799274 /nfs/dbraw/zinc/79/92/74/562799274.db2.gz JFEZEYQMFWUNMP-UWJYMKDWSA-N 1 0 574.290 7.020 1 0 KKAFRO CC[NH+](CC)CCN(Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(C)C ZINC000096909023 562799497 /nfs/dbraw/zinc/79/94/97/562799497.db2.gz UFLDFJBKUPMXFB-UHFFFAOYSA-N 1 0 761.934 8.090 1 0 KKAFRO O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CNCC[NH+]3CCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096909020 562799536 /nfs/dbraw/zinc/79/95/36/562799536.db2.gz OCXBVGMTFKXQPO-UHFFFAOYSA-N 1 0 717.837 6.723 1 0 KKAFRO COc1cc(Oc2cccc(C)c2)ccc1C(=O)N[C@H](C[N@@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000096909587 562799587 /nfs/dbraw/zinc/79/95/87/562799587.db2.gz JOLILRFQTWUIAW-MUAVYFROSA-N 1 0 517.670 5.467 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1O ZINC000096910121 562799827 /nfs/dbraw/zinc/79/98/27/562799827.db2.gz UWUBMHUIGQQPRR-WXVAWEFUSA-N 1 0 503.643 5.164 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2O)c1 ZINC000096910127 562799885 /nfs/dbraw/zinc/79/98/85/562799885.db2.gz AAFKOXZJMUODRO-WXVAWEFUSA-N 1 0 503.643 5.164 1 0 KKAFRO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2C)c1 ZINC000096910125 562799892 /nfs/dbraw/zinc/79/98/92/562799892.db2.gz GAVRUFCVOFAUMT-PWUYWRBVSA-N 1 0 501.671 5.766 1 0 KKAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000096921420 562801433 /nfs/dbraw/zinc/80/14/33/562801433.db2.gz UAOWACOVBZWCJS-MXVPUGLGSA-N 1 0 764.367 5.647 1 0 KKAFRO CC[NH+](CC)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000096921938 562801567 /nfs/dbraw/zinc/80/15/67/562801567.db2.gz XSRAQPUQRGODCH-UHFFFAOYSA-N 1 0 658.229 6.435 1 0 KKAFRO O=C(N[C@@H](Cc1ccccc1)C(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000096922438 562801831 /nfs/dbraw/zinc/80/18/31/562801831.db2.gz CMETYEMVCMWOFX-RWYGWLOXSA-N 1 0 649.835 7.877 1 0 KKAFRO O=C1C[C@H](c2cccs2)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)sc2N1CCC[NH+]1CCCCC1 ZINC000096923475 562802108 /nfs/dbraw/zinc/80/21/08/562802108.db2.gz VGJJIQWZDLHURY-RUZDIDTESA-N 1 0 581.634 9.195 1 0 KKAFRO O=C1C[C@H](c2ccccc2)c2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2O1 ZINC000096929487 562803055 /nfs/dbraw/zinc/80/30/55/562803055.db2.gz AKQZHGSOGBAINA-HHHXNRCGSA-N 1 0 514.597 6.447 1 0 KKAFRO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932292 562803368 /nfs/dbraw/zinc/80/33/68/562803368.db2.gz HDCIIPRQCHIFSK-UHFFFAOYSA-N 1 0 622.697 7.362 1 0 KKAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932631 562803456 /nfs/dbraw/zinc/80/34/56/562803456.db2.gz JQESHMSPVFAHPG-UHFFFAOYSA-N 1 0 639.703 6.645 1 0 KKAFRO CC(C)Sc1nnc(-c2c(CN3CCC([NH+]4CCCC4)CC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933313 562803607 /nfs/dbraw/zinc/80/36/07/562803607.db2.gz HWTTVFJGRYDBMJ-UHFFFAOYSA-N 1 0 514.743 5.987 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096935353 562804101 /nfs/dbraw/zinc/80/41/01/562804101.db2.gz AMFMGRJBUWZXCO-UHFFFAOYSA-N 1 0 607.686 7.057 1 0 KKAFRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 ZINC000096937797 562804337 /nfs/dbraw/zinc/80/43/37/562804337.db2.gz AIMOJLNOSGCKIN-QQSVUBKYSA-N 1 0 526.565 7.121 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccccc1 ZINC000096939391 562804754 /nfs/dbraw/zinc/80/47/54/562804754.db2.gz QFIJRPPWZAIMLZ-SANMLTNESA-N 1 0 565.061 5.434 1 0 KKAFRO C[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Cl)cc1 ZINC000096939389 562804767 /nfs/dbraw/zinc/80/47/67/562804767.db2.gz NKPNQEOGFCIQAF-SANMLTNESA-N 1 0 599.506 6.087 1 0 KKAFRO c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(OCC[NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000096940298 562804951 /nfs/dbraw/zinc/80/49/51/562804951.db2.gz FVICXVVOWQZYHH-UHFFFAOYSA-N 1 0 542.727 7.742 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000098208188 562805983 /nfs/dbraw/zinc/80/59/83/562805983.db2.gz QHJUWQXHNUKLAP-SSEXGKCCSA-N 1 0 590.746 5.655 1 0 in-vitro KKAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCc2cccnc2)C(CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033911 562806219 /nfs/dbraw/zinc/80/62/19/562806219.db2.gz HUPJSWZOSVBISZ-JGCQVQDFSA-N 1 0 505.659 6.316 1 0 KKAFRO O=[N+]([O-])C=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000100043147 562806318 /nfs/dbraw/zinc/80/63/18/562806318.db2.gz OGWSIWIZDTYFFO-QZPVIKGESA-N 1 0 511.582 5.339 1 0 KKAFRO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000100076210 562806634 /nfs/dbraw/zinc/80/66/34/562806634.db2.gz MEEIOMOVAFXLEY-PKQPGRETSA-N 1 0 575.157 6.046 1 0 KKAFRO N=C(c1ccccc1)n1c(=N)ccc2nc(-c3ccc(C4([NH3+])CC(F)(F)C4)cc3)c(-c3ccccc3)cc21 ZINC000100627942 562807176 /nfs/dbraw/zinc/80/71/76/562807176.db2.gz UYRDQFMUPMVKQL-UHFFFAOYSA-N 1 0 505.572 6.307 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000100676028 562807257 /nfs/dbraw/zinc/80/72/57/562807257.db2.gz PJDYEXITJCFGTG-NDEPHWFRSA-N 1 0 535.987 9.358 1 0 KKAFRO CCCCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000100855453 562808259 /nfs/dbraw/zinc/80/82/59/562808259.db2.gz SVDXJNLRJICFPC-VZRBIBDDSA-N 1 0 509.738 7.325 1 0 KKAFRO Cc1cc(CC(C)(C)[C@@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)oc1C ZINC000101053101 562808935 /nfs/dbraw/zinc/80/89/35/562808935.db2.gz KDWRWHYXTBMSEU-ZOYWYXQUSA-N 1 0 548.687 6.693 1 0 KKAFRO O=S(=O)(N[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F ZINC000101086244 562809062 /nfs/dbraw/zinc/80/90/62/562809062.db2.gz HNTIGZIKHBPAFD-MXVIHJGJSA-N 1 0 549.030 5.889 1 0 KKAFRO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3OC3CC3)CC2)CC1 ZINC000101132110 562809388 /nfs/dbraw/zinc/80/93/88/562809388.db2.gz CQABPCACTMBCQC-SZPZYZBQSA-N 1 0 519.107 5.359 1 0 KKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](C[NH+]2CCC(c3c[nH]c4ccccc34)CC2)CC1 ZINC000101161254 562809556 /nfs/dbraw/zinc/80/95/56/562809556.db2.gz MCLJZDLFPSSHBN-XLRBXMIISA-N 1 0 510.509 7.043 1 0 KKAFRO COC(=O)[C@H](c1ccccc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809832 /nfs/dbraw/zinc/80/98/32/562809832.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 1 0 576.785 6.851 1 0 KKAFRO COC(=O)[C@H](c1cccc(C)c1C)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809922 /nfs/dbraw/zinc/80/99/22/562809922.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 1 0 604.839 7.468 1 0 KKAFRO COc1cc2c3cc1Oc1cccc(c1)CCN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N(C3)C(=[NH2+])N2 ZINC000101344277 562810355 /nfs/dbraw/zinc/81/03/55/562810355.db2.gz XGXJBGSGDARAGO-LJAQVGFWSA-N 1 0 544.740 6.696 1 0 KKAFRO COCCCN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000101367530 562810428 /nfs/dbraw/zinc/81/04/28/562810428.db2.gz SGQJPPQXKVUHGS-RQNOJGIXSA-N 1 0 616.170 5.752 1 0 KKAFRO CC[NH+](CC)CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696352 562811836 /nfs/dbraw/zinc/81/18/36/562811836.db2.gz SLNKYLRBKDALBW-UHFFFAOYSA-N 1 0 555.700 6.335 1 0 KKAFRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)cc1 ZINC000101696399 562811897 /nfs/dbraw/zinc/81/18/97/562811897.db2.gz BEVMOTBUEQKRNX-UHFFFAOYSA-N 1 0 619.743 6.792 1 0 KKAFRO COc1cc(-c2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc3c4ccccc4nc2-3)cc(OC)c1OC ZINC000101881277 562812355 /nfs/dbraw/zinc/81/23/55/562812355.db2.gz DMZLQLNKJANREG-UHFFFAOYSA-N 1 0 550.659 5.755 1 0 KKAFRO CCCN1C(=S)N=C(C)C(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000102276418 562813110 /nfs/dbraw/zinc/81/31/10/562813110.db2.gz SOGSHTIKPQOWRS-RUZDIDTESA-N 1 0 531.644 6.240 1 0 KKAFRO CC(C)(C)c1ccc(C[NH+](Cc2ccc(C(C)(C)C)cc2)C[C@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 ZINC000103173822 562814978 /nfs/dbraw/zinc/81/49/78/562814978.db2.gz PQFOCGTWWBRCCL-AREMUKBSSA-N 1 0 563.617 8.666 1 0 KKAFRO CCCCC[C@@H](C)N(Cc1ccc(CCC(C)C)cc1)C(=[NH+]c1ccc(N(C)C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000103214752 562816961 /nfs/dbraw/zinc/81/69/61/562816961.db2.gz NCMBHBXJRAKPLQ-AREMUKBSSA-N 1 0 577.810 7.580 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3cccnc32)CC1 ZINC000103226388 562817833 /nfs/dbraw/zinc/81/78/33/562817833.db2.gz RAJKAZRMMIHROW-UHFFFAOYSA-N 1 0 553.629 7.156 1 0 KKAFRO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227158 562817851 /nfs/dbraw/zinc/81/78/51/562817851.db2.gz SCNLACQHVSYICA-PJMCFOBISA-N 1 0 562.749 7.145 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228611 562817995 /nfs/dbraw/zinc/81/79/95/562817995.db2.gz LVDNDIAWOVGRPS-UHFFFAOYSA-N 1 0 547.652 6.091 1 0 KKAFRO COc1cc(-c2cc(NC(=O)Nc3cc(OCCC[NH+](C)C)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228652 562818020 /nfs/dbraw/zinc/81/80/20/562818020.db2.gz WOZCFLFCYBPNPT-UHFFFAOYSA-N 1 0 535.641 5.865 1 0 KKAFRO Clc1ccc(/C=C2\C[NH2+]CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230153 562818126 /nfs/dbraw/zinc/81/81/26/562818126.db2.gz LZGQSXPHQTXUGY-AUEATDLBSA-N 1 0 536.915 8.046 1 0 KKAFRO CN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C(Br)\C=C\C1=[N+](C)c2ccc3ccccc3c2C1(C)C ZINC000103234721 562818670 /nfs/dbraw/zinc/81/86/70/562818670.db2.gz PGYSZICZGATMDQ-UHFFFAOYSA-N 1 0 562.575 9.146 1 0 KKAFRO CCC[N@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000103239349 562819312 /nfs/dbraw/zinc/81/93/12/562819312.db2.gz VQUKELFGZIHDQR-UHFFFAOYSA-N 1 0 532.628 6.092 1 0 KKAFRO CCC[N@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000103239345 562819324 /nfs/dbraw/zinc/81/93/24/562819324.db2.gz QDGJGZABKMERAG-UHFFFAOYSA-N 1 0 520.739 6.371 1 0 KKAFRO Cc1cc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 ZINC000103239865 562819357 /nfs/dbraw/zinc/81/93/57/562819357.db2.gz QZWUZHTUCRGGJA-HKBQPEDESA-N 1 0 561.785 5.132 1 0 KKAFRO CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\C[NH+]1CCCC1 ZINC000103240947 562819519 /nfs/dbraw/zinc/81/95/19/562819519.db2.gz UAFBHVRWQHSVGB-JIVCAAOKSA-N 1 0 552.781 6.693 1 0 KKAFRO Cc1ccc(C[N@H+](C)Cc2ccccc2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103241209 562819560 /nfs/dbraw/zinc/81/95/60/562819560.db2.gz ZKEUVZANLIVPOD-UHFFFAOYSA-N 1 0 611.668 8.287 1 0 KKAFRO COc1ccc(C[C@@H]2COc3cc(OCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)ccc3C2=O)cc1 ZINC000103248546 562820057 /nfs/dbraw/zinc/82/00/57/562820057.db2.gz VPASMJLIZUECKG-AREMUKBSSA-N 1 0 564.726 7.608 1 0 KKAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2o1 ZINC000103249979 562820173 /nfs/dbraw/zinc/82/01/73/562820173.db2.gz BYRHPRULWSAPEN-UHFFFAOYSA-N 1 0 512.549 5.043 1 0 KKAFRO CC(C)[NH+](C(C)C)[C@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000103250875 562820287 /nfs/dbraw/zinc/82/02/87/562820287.db2.gz LCQBPNWAJFSCIT-DQEYMECFSA-N 1 0 501.555 7.850 1 0 KKAFRO Brc1ccc2[nH]cc(CCCN3CC[NH+](CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1 ZINC000103253725 562820590 /nfs/dbraw/zinc/82/05/90/562820590.db2.gz RHVNIKMJBSVJBT-UHFFFAOYSA-N 1 0 558.362 6.357 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C ZINC000103258223 562820989 /nfs/dbraw/zinc/82/09/89/562820989.db2.gz BHTMZVVHJAAYBC-SSEXGKCCSA-N 1 0 588.730 5.409 1 0 KKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C ZINC000103258234 562820993 /nfs/dbraw/zinc/82/09/93/562820993.db2.gz ZTNZCYHAMGCHNM-GDLZYMKVSA-N 1 0 576.719 5.266 1 0 KKAFRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261543 562821471 /nfs/dbraw/zinc/82/14/71/562821471.db2.gz NJZOTGHNVDYRBT-UHFFFAOYSA-N 1 0 506.614 5.030 1 0 KKAFRO O=C(Nc1noc2cccnc21)N1CC2(C1)CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000103263329 562821701 /nfs/dbraw/zinc/82/17/01/562821701.db2.gz OFQOJSMWHIRKHR-UHFFFAOYSA-N 1 0 503.990 5.798 1 0 KKAFRO O=C(Nc1ccc(-n2nccn2)nc1)N1CCC2(C[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)CC1 ZINC000103263313 562821716 /nfs/dbraw/zinc/82/17/16/562821716.db2.gz NVJSQAAGISRMES-UHFFFAOYSA-N 1 0 530.032 5.238 1 0 KKAFRO C[NH+]1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268259 562822662 /nfs/dbraw/zinc/82/26/62/562822662.db2.gz ORQLPHMUPMGJPQ-BZKUTMRRSA-N 1 0 632.875 5.246 1 0 KKAFRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283359 562823661 /nfs/dbraw/zinc/82/36/61/562823661.db2.gz IIXUBHOQXODODU-PNIVXLCQSA-N 1 0 549.158 7.519 1 0 KKAFRO Cc1ccccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283364 562823675 /nfs/dbraw/zinc/82/36/75/562823675.db2.gz IIXUBHOQXODODU-FZCBKRAZSA-N 1 0 549.158 7.519 1 0 KKAFRO O=C([C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccc(Br)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283315 562823698 /nfs/dbraw/zinc/82/36/98/562823698.db2.gz IYAVTZWBGCXXFI-OCBJUFRSSA-N 1 0 559.548 5.862 1 0 KKAFRO COC(=O)C1=C(C)NC(C)=C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000103284180 562823724 /nfs/dbraw/zinc/82/37/24/562823724.db2.gz RRQLLDOTYWTHRZ-UMSFTDKQSA-N 1 0 607.751 5.412 1 0 KKAFRO OC[C@H](O)C[N@@H+]1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297270 562824595 /nfs/dbraw/zinc/82/45/95/562824595.db2.gz QZTIHPDSTDDSTG-BHIFYINESA-N 1 0 505.313 6.442 1 0 KKAFRO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)c(O)c1-3 ZINC000103298221 562824771 /nfs/dbraw/zinc/82/47/71/562824771.db2.gz QYSHFCPJVHYHPL-XMMPIXPASA-N 1 0 537.701 5.115 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2CC(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300069 562824874 /nfs/dbraw/zinc/82/48/74/562824874.db2.gz FVFUMYFPTSGPDX-UHFFFAOYSA-N 1 0 516.617 6.471 1 0 KKAFRO COc1ccc2c(c[n+]3c(c2CCCCCC(c2ccccc2)c2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000103300084 562824877 /nfs/dbraw/zinc/82/48/77/562824877.db2.gz URSNOVITDWBFHQ-UHFFFAOYSA-N 1 0 572.725 8.031 1 0 KKAFRO [NH3+]C1(c2ccc(-c3nc4nc(OCCN5C(=O)c6ccccc6C5=O)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113655553 562826692 /nfs/dbraw/zinc/82/66/92/562826692.db2.gz YLFWYTFZEQYXES-UHFFFAOYSA-N 1 0 529.600 5.076 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCC[NH+](C)C)nc4)c3c2)cc(Cl)c1O ZINC000114038148 562827205 /nfs/dbraw/zinc/82/72/05/562827205.db2.gz AFBYVXCZFQHLEX-UHFFFAOYSA-N 1 0 532.044 5.974 1 0 KKAFRO CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099117 562827606 /nfs/dbraw/zinc/82/76/06/562827606.db2.gz FYBDLDRPZFWUMY-HSZRJFAPSA-N 1 0 501.067 5.407 1 0 KKAFRO CC(=O)Oc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114101159 562827822 /nfs/dbraw/zinc/82/78/22/562827822.db2.gz VICCPXIMFPISQJ-XMMPIXPASA-N 1 0 529.077 5.323 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Cl)nc1 ZINC000114980291 562828641 /nfs/dbraw/zinc/82/86/41/562828641.db2.gz CDKYEKSHRQNZBA-VWLOTQADSA-N 1 0 532.493 5.054 1 0 KKAFRO O=S(=O)(Cc1ccccc1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980885 562828643 /nfs/dbraw/zinc/82/86/43/562828643.db2.gz MNDVVOOCQYLZKF-MHZLTWQESA-N 1 0 511.087 5.147 1 0 KKAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(Oc2ccccc2)nc1 ZINC000114981656 562828708 /nfs/dbraw/zinc/82/87/08/562828708.db2.gz RFZLDEVIOGAXDV-HKBQPEDESA-N 1 0 590.145 6.193 1 0 KKAFRO O=S(=O)(NCCOc1cc2c(cc1F)CC[NH2+][C@@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981070 562828713 /nfs/dbraw/zinc/82/87/13/562828713.db2.gz LOBSNLWYJKVAMA-SANMLTNESA-N 1 0 515.050 5.145 1 0 KKAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH2+]CC4)cn3)c3ncccc23)c1Cl ZINC000115293937 562828778 /nfs/dbraw/zinc/82/87/78/562828778.db2.gz UFQIIMKAJNPQOV-UHFFFAOYSA-N 1 0 552.462 5.278 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc([C@@H]3CCC[N@@H+]3C)cn2)c1=O ZINC000116055357 562829202 /nfs/dbraw/zinc/82/92/02/562829202.db2.gz IDITYFDOXWBOKM-NDEPHWFRSA-N 1 0 627.786 5.978 1 0 KKAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc(OCC[NH+](C)C)cn2)c1=O ZINC000116054890 562829216 /nfs/dbraw/zinc/82/92/16/562829216.db2.gz YHSFAUQMVIUXHL-UHFFFAOYSA-N 1 0 631.774 5.152 1 0 KKAFRO CC[NH+](CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117688996 562829811 /nfs/dbraw/zinc/82/98/11/562829811.db2.gz JREXGUBNWLVHQJ-UHFFFAOYSA-N 1 0 502.642 5.683 1 0 KKAFRO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([N@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789037 562830591 /nfs/dbraw/zinc/83/05/91/562830591.db2.gz JHUAOSPKENTLLI-IJCIRRAASA-N 1 0 618.262 8.070 1 0 KKAFRO CCCC[N@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920132 562830939 /nfs/dbraw/zinc/83/09/39/562830939.db2.gz FJLYALXMWQKCRF-YKVMHPTMSA-N 1 0 523.846 7.504 1 0 KKAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[C@@H]([NH+](C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993486 562832309 /nfs/dbraw/zinc/83/23/09/562832309.db2.gz PANUCCHSDROJBK-PDDLMNHVSA-N 1 0 533.680 5.466 1 0 KKAFRO CCN1c2ccc(OCCC[N@H+](CCc3cccnc3)Cc3ccccc3-c3cccnc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139568404 562832613 /nfs/dbraw/zinc/83/26/13/562832613.db2.gz HUIYSGLQEYEPFI-UHFFFAOYSA-N 1 0 591.756 6.013 1 0 KKAFRO CC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(cc[nH+]c3N)c2)c2ccccc2)c1 ZINC000140186022 562832891 /nfs/dbraw/zinc/83/28/91/562832891.db2.gz KDJVHAKXSVDSAV-PQHLKRTFSA-N 1 0 585.730 5.474 1 0 in-vitro KKAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000140118811 562832924 /nfs/dbraw/zinc/83/29/24/562832924.db2.gz XMTCFSFHPPARKV-UHFFFAOYSA-N 1 0 550.585 5.142 1 0 KKAFRO Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@@H]([NH3+])CC3)s1 ZINC000140429539 562833070 /nfs/dbraw/zinc/83/30/70/562833070.db2.gz IDVJVUGYGZHXPO-GGAORHGYSA-N 1 0 525.523 5.320 1 0 KKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140570242 562833176 /nfs/dbraw/zinc/83/31/76/562833176.db2.gz BFYZNAOKDWKLBO-JYFHCDHNSA-N 1 0 584.683 5.616 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@@H+](C2CCCC2)C1 ZINC000140843804 562833349 /nfs/dbraw/zinc/83/33/49/562833349.db2.gz WXDZHXSCSPJUOV-XMMPIXPASA-N 1 0 514.510 6.397 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@H+](CC2CC2)C1 ZINC000140844177 562833370 /nfs/dbraw/zinc/83/33/70/562833370.db2.gz ZQTLLEQBUNKYFU-HSZRJFAPSA-N 1 0 500.483 5.864 1 0 KKAFRO Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3Cl)nc1-2 ZINC000141184413 562833502 /nfs/dbraw/zinc/83/35/02/562833502.db2.gz VFDJEOJEYOZFET-UHFFFAOYSA-N 1 0 542.087 5.172 1 0 KKAFRO C[N@@H+]1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141859712 562833801 /nfs/dbraw/zinc/83/38/01/562833801.db2.gz LBGJNSVXUMNZLY-YBRZPMKISA-N 1 0 539.664 5.649 1 0 KKAFRO Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142237941 562834052 /nfs/dbraw/zinc/83/40/52/562834052.db2.gz QXQLYZMNBDEQGD-DPYUARDDSA-N 1 0 594.774 6.645 1 0 KKAFRO Cc1c(C)c2c(c(C)c1CCCCCC[NH3+])CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000142232659 562834053 /nfs/dbraw/zinc/83/40/53/562834053.db2.gz UPIQNDZYPVLCPV-KDNBERQASA-N 1 0 522.711 6.160 1 0 KKAFRO CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(N)=[NH2+])cc2)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000142767589 562834322 /nfs/dbraw/zinc/83/43/22/562834322.db2.gz HFACJDQFDDGCJK-HHHXNRCGSA-N 1 0 517.605 5.896 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143087638 562834589 /nfs/dbraw/zinc/83/45/89/562834589.db2.gz UISWVSPXIGSWIA-UHFFFAOYSA-N 1 0 600.167 6.041 1 0 KKAFRO COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CC[NH+](CC4CCCCCCC4)CC3)C2=O)cc1OC ZINC000143290655 562834899 /nfs/dbraw/zinc/83/48/99/562834899.db2.gz MQYSDUGGEGGHKZ-WJOKGBTCSA-N 1 0 611.799 5.264 1 0 KKAFRO C[NH+](C)CCN(Cc1ccccc1)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143388056 562834983 /nfs/dbraw/zinc/83/49/83/562834983.db2.gz QWJUVVNLIDHRPK-UHFFFAOYSA-N 1 0 609.986 6.181 1 0 KKAFRO CS(=O)(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5([NH3+])CCC5)cc4)nc32)cc1 ZINC000143448986 562835036 /nfs/dbraw/zinc/83/50/36/562835036.db2.gz DRRJGRASANWELU-UHFFFAOYSA-N 1 0 544.680 6.625 1 0 KKAFRO C[N@@H+]1CCC[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143507060 562835099 /nfs/dbraw/zinc/83/50/99/562835099.db2.gz LFKAYWNVUDQMMN-SSDOTTSWSA-N 1 0 559.926 5.509 1 0 KKAFRO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5[C@H](C)C[N@@H+](C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2 ZINC000144986166 562836845 /nfs/dbraw/zinc/83/68/45/562836845.db2.gz OQYLKJLEFFUOSP-AFYCESQPSA-N 1 0 547.703 5.644 1 0 KKAFRO C[C@H]1CCC[N@@H+]1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(N4CCOCC4)nc3)cc21 ZINC000145379085 562837072 /nfs/dbraw/zinc/83/70/72/562837072.db2.gz BDZXHJKZIBGYHE-QHCPKHFHSA-N 1 0 546.115 5.890 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146012094 562837950 /nfs/dbraw/zinc/83/79/50/562837950.db2.gz OSBSLPQRYDHUTC-OAHLLOKOSA-N 1 0 619.044 5.664 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148168268 562840401 /nfs/dbraw/zinc/84/04/01/562840401.db2.gz MQAHZVKSBBDGDS-HXUWFJFHSA-N 1 0 623.684 5.189 1 0 KKAFRO CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148172839 562840433 /nfs/dbraw/zinc/84/04/33/562840433.db2.gz RHSNWAKSPFXEHA-UHFFFAOYSA-N 1 0 595.674 5.587 1 0 KKAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([NH+](C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148295843 562840873 /nfs/dbraw/zinc/84/08/73/562840873.db2.gz RWORMTYUGODMMD-UHFFFAOYSA-N 1 0 580.615 5.282 1 0 KKAFRO O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc5c4ccn5Cc4ccc(F)cc4)CC3)cc2N1 ZINC000148714111 562841687 /nfs/dbraw/zinc/84/16/87/562841687.db2.gz CCMLDGCVAGTXJF-UHFFFAOYSA-N 1 0 526.656 5.695 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000148849202 562841871 /nfs/dbraw/zinc/84/18/71/562841871.db2.gz RVZYMIMTFMNCLX-QHCPKHFHSA-N 1 0 529.077 5.169 1 0 KKAFRO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148895297 562841951 /nfs/dbraw/zinc/84/19/51/562841951.db2.gz CTKUJBLIOZDCKM-MHZLTWQESA-N 1 0 522.133 6.444 1 0 KKAFRO CO[C@@H]1COCC[C@@H]1[N@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000150181426 562842952 /nfs/dbraw/zinc/84/29/52/562842952.db2.gz KBPVESMWPAKGTC-JYALHPGCSA-N 1 0 589.621 5.198 1 0 KKAFRO O[C@@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@H](O)CN3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)CN1CCOCC1 ZINC000150561639 562844899 /nfs/dbraw/zinc/84/48/99/562844899.db2.gz OHOBNUOBOCABGF-WOJBJXKFSA-N 1 0 938.187 6.291 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584325 562845715 /nfs/dbraw/zinc/84/57/15/562845715.db2.gz KHNPPFOCVAHBIR-DYKQPOOOSA-N 1 0 776.323 6.906 1 0 KKAFRO Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](C[NH+]6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586647 562845855 /nfs/dbraw/zinc/84/58/55/562845855.db2.gz OBYMCAPFENXWIY-DYKQPOOOSA-N 1 0 810.768 7.560 1 0 KKAFRO NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000150595638 562846605 /nfs/dbraw/zinc/84/66/05/562846605.db2.gz JJWHGZUFYLGJMF-UWXQCODUSA-N 1 0 847.795 6.853 1 0 KKAFRO CS(=O)(=O)Nc1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599764 562847046 /nfs/dbraw/zinc/84/70/46/562847046.db2.gz DWXQINXFFZFEND-UHFFFAOYSA-N 1 0 654.258 6.223 1 0 KKAFRO CCCC[NH+]1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606208 562847887 /nfs/dbraw/zinc/84/78/87/562847887.db2.gz WOBWACBYJMRKDB-MSEJLTFDSA-N 1 0 674.956 6.416 1 0 KKAFRO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612921 562848650 /nfs/dbraw/zinc/84/86/50/562848650.db2.gz OWUNWYFBVXAWFX-AKURXZRGSA-N 1 0 639.789 7.179 1 0 KKAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)CCN(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3Cl)C4=O)cc2)CC1 ZINC000164716882 562849675 /nfs/dbraw/zinc/84/96/75/562849675.db2.gz SGLDXZLAQLSXFP-UHFFFAOYSA-N 1 0 636.078 6.099 1 0 KKAFRO C[NH+](C)CCCN(Cc1ccccc1)c1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000164749375 562849720 /nfs/dbraw/zinc/84/97/20/562849720.db2.gz RHTCSXQIJIOOBT-UHFFFAOYSA-N 1 0 624.013 6.571 1 0 KKAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N(C)C[C@H]6CCCCO6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000165274975 562850025 /nfs/dbraw/zinc/85/00/25/562850025.db2.gz IQMFRUIPMLJURU-HHHXNRCGSA-N 1 0 663.749 5.890 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](CC(C)C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000165277548 562850052 /nfs/dbraw/zinc/85/00/52/562850052.db2.gz QNEKOFUXJFJGSV-UHFFFAOYSA-N 1 0 649.722 5.358 1 0 KKAFRO Cc1cccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)[nH]2)n1 ZINC000166221760 562850392 /nfs/dbraw/zinc/85/03/92/562850392.db2.gz FUCRZGNUVYOQLJ-UHFFFAOYSA-N 1 0 544.638 6.071 1 0 KKAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000167025463 562850629 /nfs/dbraw/zinc/85/06/29/562850629.db2.gz WZUHEGHSWVPEGA-VWLOTQADSA-N 1 0 580.586 5.778 1 0 KKAFRO Fc1ccc(-c2cn3ccnc3nc2-c2ccc(C[NH+]3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1 ZINC000167114347 562850674 /nfs/dbraw/zinc/85/06/74/562850674.db2.gz LNKXDEUQWCRYRA-UHFFFAOYSA-N 1 0 514.608 6.525 1 0 KKAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3cc(F)ccc3F)cn2n1 ZINC000167157832 562850676 /nfs/dbraw/zinc/85/06/76/562850676.db2.gz NHYJWBOVHHADEN-UHFFFAOYSA-N 1 0 563.616 5.605 1 0 KKAFRO CSc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6cccc(C)n6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167367559 562850743 /nfs/dbraw/zinc/85/07/43/562850743.db2.gz BANWNETXRJVKLD-UHFFFAOYSA-N 1 0 545.676 5.268 1 0 KKAFRO CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4nnc(-c5ccccn5)[nH]4)C3)cc2)nc2nccn21 ZINC000167936456 562851127 /nfs/dbraw/zinc/85/11/27/562851127.db2.gz JWAAHLMUTIVCTN-UHFFFAOYSA-N 1 0 541.663 5.663 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000167987797 562851229 /nfs/dbraw/zinc/85/12/29/562851229.db2.gz NFVITLLJLGIYLY-HJMRYINQSA-N 1 0 543.499 5.284 1 0 KKAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000168183318 562851241 /nfs/dbraw/zinc/85/12/41/562851241.db2.gz WTOWTZMLDHRNCU-GMIMVMRRSA-N 1 0 552.641 5.608 1 0 KKAFRO CCOC(=O)CN1CCC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169290804 562851824 /nfs/dbraw/zinc/85/18/24/562851824.db2.gz LGYHEKIVFWTNCJ-PSIMNDKQSA-N 1 0 515.525 6.517 1 0 KKAFRO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169295944 562852425 /nfs/dbraw/zinc/85/24/25/562852425.db2.gz XACYZNUBDRDHNM-CLJLJLNGSA-N 1 0 548.609 5.977 1 0 KKAFRO COc1ccc(C2=NN(CCCCCOc3ccc(C[C@H](C)[NH2+]C[C@H](O)c4ccc(O)c(NC=O)c4)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000169307488 562853798 /nfs/dbraw/zinc/85/37/98/562853798.db2.gz YPPWGDDMIBSRAX-JBCHHCLFSA-N 1 0 686.850 5.834 1 0 KKAFRO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)[NH2+][C@@]32c3cc(F)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000169310255 562854798 /nfs/dbraw/zinc/85/47/98/562854798.db2.gz GYWJPHPCAQKQDJ-DXJXWKRXSA-N 1 0 631.748 6.328 1 0 KKAFRO c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCC[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312242 562855313 /nfs/dbraw/zinc/85/53/13/562855313.db2.gz JUYOUNCVTDPWBT-CONSDPRKSA-N 1 0 512.650 6.775 1 0 KKAFRO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nn1C ZINC000169312784 562855439 /nfs/dbraw/zinc/85/54/39/562855439.db2.gz RBQFJWHBUCVSCF-UHFFFAOYSA-N 1 0 570.734 7.421 1 0 KKAFRO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317788 562856069 /nfs/dbraw/zinc/85/60/69/562856069.db2.gz DTCLOSIOZCFUAJ-UFHPHHKVSA-N 1 0 515.572 6.180 1 0 KKAFRO CC(=O)Nc1cccc(C2CC[NH+]([C@@H](C)c3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1 ZINC000169321680 562856731 /nfs/dbraw/zinc/85/67/31/562856731.db2.gz YQNYMXZOKWDFDZ-QHCPKHFHSA-N 1 0 560.673 7.295 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)c1C ZINC000169322865 562856900 /nfs/dbraw/zinc/85/69/00/562856900.db2.gz XBSCRLVKYZOQAQ-UHFFFAOYSA-N 1 0 626.245 8.036 1 0 KKAFRO COCC[N@@H+]1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)nc3nc2-c2ccccc2C)C1 ZINC000169323231 562857006 /nfs/dbraw/zinc/85/70/06/562857006.db2.gz CECBMNBUQKXZCK-LJQANCHMSA-N 1 0 509.075 5.507 1 0 KKAFRO CC[C@@H](C)N(C(=O)c1cc2c(cc1Cl)[nH]c(=O)c(-c1cc(C)cc(C)c1)c2OCC[C@H]1CCCC[NH2+]1)[C@@H](C)CC ZINC000169323329 562857030 /nfs/dbraw/zinc/85/70/30/562857030.db2.gz YXRWQRQZSUPRFI-GIFXNVAJSA-N 1 0 566.186 7.828 1 0 KKAFRO COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3CCC[NH+]2CCN(CCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)CC2)cc1 ZINC000169324467 562857336 /nfs/dbraw/zinc/85/73/36/562857336.db2.gz ZTWYVDICEREGTQ-LHEWISCISA-N 1 0 791.993 8.952 1 0 KKAFRO Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)c1C ZINC000169324421 562857374 /nfs/dbraw/zinc/85/73/74/562857374.db2.gz AOVPNGCKZMQENI-UHFFFAOYSA-N 1 0 577.773 6.993 1 0 KKAFRO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2)C[C@H]1[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327530 562858129 /nfs/dbraw/zinc/85/81/29/562858129.db2.gz TYNQIXXVTVDHLT-ZDCRTTOTSA-N 1 0 548.683 6.263 1 0 KKAFRO CN(C(=O)[C@@H](CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000169330831 562858788 /nfs/dbraw/zinc/85/87/88/562858788.db2.gz MWDXBYJLZWXDHC-HVNZXBJASA-N 1 0 684.640 5.329 1 0 KKAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](CC5CCCCC5)C4)c(=O)c3n2)c1 ZINC000169331009 562858860 /nfs/dbraw/zinc/85/88/60/562858860.db2.gz UQODWGLXKRWCRR-DEOSSOPVSA-N 1 0 526.685 5.254 1 0 KKAFRO CN(C(=O)[C@H](CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000169331705 562859050 /nfs/dbraw/zinc/85/90/50/562859050.db2.gz MWDXBYJLZWXDHC-NEEKEDPPSA-N 1 0 684.640 5.329 1 0 KKAFRO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333544 562859321 /nfs/dbraw/zinc/85/93/21/562859321.db2.gz NGQYXAWILGXRCI-UQHMDHIVSA-N 1 0 501.885 7.454 1 0 KKAFRO CCCCCC[NH+](CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000169333831 562859371 /nfs/dbraw/zinc/85/93/71/562859371.db2.gz JTUJMPNBBGEMHP-PMERELPUSA-N 1 0 531.568 8.713 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334291 562859468 /nfs/dbraw/zinc/85/94/68/562859468.db2.gz VCZAKRHTOVSWLS-DEOSSOPVSA-N 1 0 507.889 7.362 1 0 KKAFRO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000169335830 562859706 /nfs/dbraw/zinc/85/97/06/562859706.db2.gz MATNFYHKYBREMY-AREMUKBSSA-N 1 0 536.516 6.654 1 0 KKAFRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169335757 562859727 /nfs/dbraw/zinc/85/97/27/562859727.db2.gz CPGOGJLJZHZUAI-HSZRJFAPSA-N 1 0 504.266 6.316 1 0 KKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335989 562859760 /nfs/dbraw/zinc/85/97/60/562859760.db2.gz DXZBXFXATCWMIK-ATKXTZNESA-N 1 0 564.614 8.892 1 0 KKAFRO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(C(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000169338630 562860284 /nfs/dbraw/zinc/86/02/84/562860284.db2.gz AIFURXDRYQAVTE-MOCVAACVSA-N 1 0 529.721 5.648 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc3c(c2)OCO3)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000169340444 562860625 /nfs/dbraw/zinc/86/06/25/562860625.db2.gz LGKYJECCBHCOIR-AREMUKBSSA-N 1 0 555.528 5.723 3 0 KKAFRO CCOC(=O)CCC(=O)Nc1ccc(CCC[N@@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 ZINC000169346313 562861776 /nfs/dbraw/zinc/86/17/76/562861776.db2.gz ODPNHRPBZZXUFC-PTYIDMFESA-N 1 0 504.671 5.365 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3Nc3nc(-c4ccccc4)cs3)c3c2c(Cl)ccc3O)CC1 ZINC000169347476 562861963 /nfs/dbraw/zinc/86/19/63/562861963.db2.gz GTFZYIQGXCUYBX-UHFFFAOYSA-N 1 0 559.179 8.444 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350704 562862900 /nfs/dbraw/zinc/86/29/00/562862900.db2.gz FUGCLUZTVAAXJZ-UHFFFAOYSA-N 1 0 658.130 6.800 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350727 562862901 /nfs/dbraw/zinc/86/29/01/562862901.db2.gz OXESTPIQGJVUCC-UHFFFAOYSA-N 1 0 669.729 6.921 1 0 KKAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)/C=C/C[NH+](C)C)c2)nc1 ZINC000169353167 562863361 /nfs/dbraw/zinc/86/33/61/562863361.db2.gz HRJPAWRABHUYPD-IZZDOVSWSA-N 1 0 617.632 6.108 1 0 KKAFRO Cc1nc2ccccc2n1[C@H](COC(=O)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000169353296 562863452 /nfs/dbraw/zinc/86/34/52/562863452.db2.gz QYUVFYGTFHZBIK-WJOKGBTCSA-N 1 0 582.774 5.805 1 0 KKAFRO O=C(NC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1 ZINC000169353291 562863459 /nfs/dbraw/zinc/86/34/59/562863459.db2.gz WPMNTAYLADYTEB-DHUJRADRSA-N 1 0 643.861 6.736 1 0 KKAFRO O=C(NC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1 ZINC000169353292 562863469 /nfs/dbraw/zinc/86/34/69/562863469.db2.gz WPMNTAYLADYTEB-PGUFJCEWSA-N 1 0 643.861 6.736 1 0 KKAFRO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3nc4ccc(Cl)cc4s3)c3c2c(Cl)ccc3O)CC1 ZINC000169353912 562863616 /nfs/dbraw/zinc/86/36/16/562863616.db2.gz OYXRUIWYKLWHNT-UHFFFAOYSA-N 1 0 610.611 8.484 1 0 KKAFRO Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@@H]([NH3+])CO)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169367122 562864543 /nfs/dbraw/zinc/86/45/43/562864543.db2.gz PZAQSNXCLNHCHR-NYLLDOQKSA-N 1 0 764.974 9.217 1 0 KKAFRO Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCN(C(=O)C5CC5)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697644 562866532 /nfs/dbraw/zinc/86/65/32/562866532.db2.gz SBABAXGJFRBKNM-UHFFFAOYSA-N 1 0 584.728 5.128 1 0 KKAFRO Cc1nccn1Cc1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698436 562867236 /nfs/dbraw/zinc/86/72/36/562867236.db2.gz FKWAPTAZKOGWII-UHFFFAOYSA-N 1 0 584.750 5.121 1 0 KKAFRO CCCCNC(=O)Cc1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698434 562867265 /nfs/dbraw/zinc/86/72/65/562867265.db2.gz WKNPSQNSFCVMQI-UHFFFAOYSA-N 1 0 603.793 5.027 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702420 562868371 /nfs/dbraw/zinc/86/83/71/562868371.db2.gz PWLAKBPKQLBFTJ-NRFANRHFSA-N 1 0 642.204 5.983 1 0 KKAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NCCC[NH+](C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703466 562868767 /nfs/dbraw/zinc/86/87/67/562868767.db2.gz URDAUAFNLXYSLG-UHFFFAOYSA-N 1 0 507.642 5.222 1 0 KKAFRO COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=[NH+][C@H]1CCc1ccccc1 ZINC000169704515 562869028 /nfs/dbraw/zinc/86/90/28/562869028.db2.gz AJUDGSWDKCDVCE-SANMLTNESA-N 1 0 611.661 6.141 3 0 KKAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705466 562869399 /nfs/dbraw/zinc/86/93/99/562869399.db2.gz FGTJSOCKXSMWEJ-QFIPXVFZSA-N 1 0 531.979 6.064 1 0 KKAFRO [NH3+]C1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705892 562869794 /nfs/dbraw/zinc/86/97/94/562869794.db2.gz TWWBXGGEFLRFLN-UHFFFAOYSA-N 1 0 517.633 5.635 1 0 KKAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(CCF)[C@H]3C)n1 ZINC000169707549 562870079 /nfs/dbraw/zinc/87/00/79/562870079.db2.gz MRDPHEVYJFFGER-INIZCTEOSA-N 1 0 634.606 5.489 1 0 KKAFRO CC[NH+]1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCF)ccn3)cc2)CC1 ZINC000169711524 562870953 /nfs/dbraw/zinc/87/09/53/562870953.db2.gz KSDHXUSWPOAODN-UHFFFAOYSA-N 1 0 573.669 6.206 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](C[C@H](C)O)CC3)cc2)c1 ZINC000169711595 562871068 /nfs/dbraw/zinc/87/10/68/562871068.db2.gz LLWPVHSOAKYKEO-QHCPKHFHSA-N 1 0 615.731 5.244 1 0 KKAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CC[NH+](CC)CC3)cc2)c1 ZINC000169711596 562871085 /nfs/dbraw/zinc/87/10/85/562871085.db2.gz IPPWCZGBJWRXIG-UHFFFAOYSA-N 1 0 585.705 5.883 1 0 KKAFRO CC(C)(C)[Si](CCc1c(N2CC[NH2+]CC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195390924 562871716 /nfs/dbraw/zinc/87/17/16/562871716.db2.gz XUSGFBYGTCUJNW-UHFFFAOYSA-N 1 0 624.732 8.224 1 0 KKAFRO CCOc1ccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000196617034 562872543 /nfs/dbraw/zinc/87/25/43/562872543.db2.gz VMQAFJPSEXTGNA-USKUGWKDSA-N 1 0 561.682 5.880 1 0 KKAFRO CCc1ccc(-c2ccc(C(=O)N[C@H](/C=C/c3ccccc3)[C@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)cc1 ZINC000196617053 562872577 /nfs/dbraw/zinc/87/25/77/562872577.db2.gz FLCFXXDYBIGOAA-KKWKBKIGSA-N 1 0 545.683 6.044 1 0 KKAFRO CCN1c2ccc(OCCC[N@H+](CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000197908495 562872611 /nfs/dbraw/zinc/87/26/11/562872611.db2.gz ALRMPHHZEVRXDO-UHFFFAOYSA-N 1 0 638.687 5.940 1 0 KKAFRO C[N@@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874286 /nfs/dbraw/zinc/87/42/86/562874286.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N 1 0 520.008 6.199 1 0 KKAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@H+](Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430486 562874528 /nfs/dbraw/zinc/87/45/28/562874528.db2.gz MOISIFKTLSDCMP-SANMLTNESA-N 1 0 548.695 5.791 1 0 KKAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C[C@H]3CCCCO3)nc21 ZINC000204462482 562874584 /nfs/dbraw/zinc/87/45/84/562874584.db2.gz RDQZQEGAGKTAEH-AREMUKBSSA-N 1 0 651.738 5.746 1 0 KKAFRO Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[NH+](C7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204956285 562874632 /nfs/dbraw/zinc/87/46/32/562874632.db2.gz XHWNFTZGGRJFLV-UHFFFAOYSA-N 1 0 524.698 5.284 1 0 KKAFRO Cc1occc1-c1c2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000205109211 562874952 /nfs/dbraw/zinc/87/49/52/562874952.db2.gz AJFZJAOHDZVTMM-UHFFFAOYSA-N 1 0 505.644 5.699 1 0 KKAFRO CCN(c1cc(-c2ccc(C[N@H+](C)CC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715965 562875791 /nfs/dbraw/zinc/87/57/91/562875791.db2.gz YLHVWLFHHMNTRR-UHFFFAOYSA-N 1 0 570.778 5.744 1 0 KKAFRO OCC[NH+]1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206739310 562876501 /nfs/dbraw/zinc/87/65/01/562876501.db2.gz RRCQRAWXNXUPKY-UHFFFAOYSA-N 1 0 508.018 5.319 1 0 KKAFRO Cc1ccc(-n2cc(-c3ccc(CN4CC[NH+](C)CC4)c(C(F)(F)F)c3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000207300738 562876730 /nfs/dbraw/zinc/87/67/30/562876730.db2.gz XNDOGYLMIRKGON-UHFFFAOYSA-N 1 0 585.638 5.605 1 0 KKAFRO CC[NH+]1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(Cc4ccccc4C(N)=O)n3)c(OC)c2)CC1 ZINC000208706645 562876833 /nfs/dbraw/zinc/87/68/33/562876833.db2.gz OVSGTWVJEXAGQC-UHFFFAOYSA-N 1 0 513.564 5.137 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCC[NH2+]C3CCCCC3)O5)ccc2OC)c1 ZINC000214533443 562877319 /nfs/dbraw/zinc/87/73/19/562877319.db2.gz YCQVAILDHPFTDO-PMERELPUSA-N 1 0 611.695 6.132 1 0 KKAFRO [NH3+]CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000215551666 562877439 /nfs/dbraw/zinc/87/74/39/562877439.db2.gz LEINOXRFIYQSFV-XDSPJLLDSA-N 1 0 644.816 5.165 1 0 KKAFRO Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CC(C)(C)[NH2+]C(C)(C)C6)cc5c4)n3c2)cn1 ZINC000218862158 562877942 /nfs/dbraw/zinc/87/79/42/562877942.db2.gz AGNOEMBQRPMOSL-UHFFFAOYSA-N 1 0 512.687 5.550 1 0 KKAFRO Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(NC6CC(C)(C)[NH2+]C(C)(C)C6)cc5c4)n3c2)cn1 ZINC000218831493 562877955 /nfs/dbraw/zinc/87/79/55/562877955.db2.gz SNOPKQMIPVHJEZ-UHFFFAOYSA-N 1 0 530.677 5.689 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000219347058 562878048 /nfs/dbraw/zinc/87/80/48/562878048.db2.gz ZRIQOLFNQWPVCS-UHFFFAOYSA-N 1 0 504.030 6.913 1 0 KKAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000221083124 562878778 /nfs/dbraw/zinc/87/87/78/562878778.db2.gz KPVDNVGZRAUKCT-WZRJCJTJSA-N 1 0 679.564 5.313 1 0 KKAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000221769989 562879235 /nfs/dbraw/zinc/87/92/35/562879235.db2.gz IEROXEXCWXUBDL-UQQQWYQISA-N 1 0 551.716 6.049 1 0 KKAFRO COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1C[NH2+][C@H](COC(=O)NCc2ccc(F)cc2)CO1)C(c1ccccc1)c1ccccc1 ZINC000222636059 562879920 /nfs/dbraw/zinc/87/99/20/562879920.db2.gz JMFGLFBQZOSYHM-UKAHRKLESA-N 1 0 668.766 5.537 1 0 KKAFRO CC(C)(C)c1sc2c(nc(-c3ccncc3)nc2NC[C@@H]([NH3+])Cc2ccccc2)c1-c1cccc(F)c1 ZINC000223692509 562880148 /nfs/dbraw/zinc/88/01/48/562880148.db2.gz DGUHVYPZTODZOA-QHCPKHFHSA-N 1 0 511.670 6.839 1 0 KKAFRO COc1cccc(Cl)c1-c1c(C)sc2c1nc(-c1ccncc1)nc2NC[C@@H]([NH3+])Cc1ccccc1 ZINC000223683347 562880156 /nfs/dbraw/zinc/88/01/56/562880156.db2.gz LTGAANKVBBAMLN-FQEVSTJZSA-N 1 0 516.070 6.373 1 0 KKAFRO COc1ccc(C(=O)NCC[NH+]2CCCC2)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224128258 562880384 /nfs/dbraw/zinc/88/03/84/562880384.db2.gz YVYATCZGDDDVSH-UMSFTDKQSA-N 1 0 660.646 7.503 1 0 KKAFRO C#[N+]c1cc(Cl)cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)c1 ZINC000230575388 562881139 /nfs/dbraw/zinc/88/11/39/562881139.db2.gz ZWEMDKNKMRHEQA-NDEPHWFRSA-N 1 0 531.443 7.920 1 0 KKAFRO O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC3(CCOC3)CC2)CC1 ZINC000253673724 562882729 /nfs/dbraw/zinc/88/27/29/562882729.db2.gz ANNTYLPRTLHHJC-QIBDARBMSA-N 1 0 608.667 7.771 1 0 KKAFRO Cc1c(C(=O)NCCCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000299824175 562883179 /nfs/dbraw/zinc/88/31/79/562883179.db2.gz AAMJDOSCUCFMCE-UHFFFAOYSA-N 1 0 507.893 6.837 1 0 KKAFRO O=C(NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O ZINC000299825555 562883600 /nfs/dbraw/zinc/88/36/00/562883600.db2.gz CRNAJFAIPHACBA-UHFFFAOYSA-N 1 0 567.608 6.911 1 0 KKAFRO C[NH+](C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc21 ZINC000299828821 562884617 /nfs/dbraw/zinc/88/46/17/562884617.db2.gz IYYQARUVFBODEX-UHFFFAOYSA-N 1 0 501.443 6.283 1 0 KKAFRO COc1ccc2nccc(C(=O)OCCCCC[N@H+](C)CCCCCOC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000299829606 562884945 /nfs/dbraw/zinc/88/49/45/562884945.db2.gz URAJXVWPCPWYGA-NTCAYCPXSA-N 1 0 608.732 5.955 1 0 KKAFRO COc1ccc(CN2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]3[C@H]2CCC[C@@H]3[NH+]2CCCC2)cc1 ZINC000299831474 562885642 /nfs/dbraw/zinc/88/56/42/562885642.db2.gz QBCJXEWVKYBDNG-ZRRKCSAHSA-N 1 0 516.513 5.274 1 0 KKAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000299833430 562886186 /nfs/dbraw/zinc/88/61/86/562886186.db2.gz KWXMQTBCHHHLEA-GOSISDBHSA-N 1 0 553.503 5.195 1 0 KKAFRO CN(C(=O)CN(CC(=O)NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299834869 562886598 /nfs/dbraw/zinc/88/65/98/562886598.db2.gz ZVAPSFHTGAGEON-VWLOTQADSA-N 1 0 581.544 5.086 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299835286 562886810 /nfs/dbraw/zinc/88/68/10/562886810.db2.gz CZXHCDNRKXTONA-UHFFFAOYSA-N 1 0 752.641 8.144 1 0 KKAFRO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(O)cc1O ZINC000299835757 562886953 /nfs/dbraw/zinc/88/69/53/562886953.db2.gz LLRLVSMTALSDMY-QZTJIDSGSA-N 1 0 505.615 5.501 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299836111 562887007 /nfs/dbraw/zinc/88/70/07/562887007.db2.gz GJSZUKMYTVDQFF-UHFFFAOYSA-N 1 0 691.735 7.520 1 0 KKAFRO COc1ccc(C(=O)NCCc2ccc(OC3CC[NH+](C)CC3)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000299837776 562887601 /nfs/dbraw/zinc/88/76/01/562887601.db2.gz KSFWEWLFHCUAKP-UHFFFAOYSA-N 1 0 512.572 5.827 1 0 KKAFRO CCc1nc(C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c3ccccc3[nH]c21 ZINC000299839005 562888028 /nfs/dbraw/zinc/88/80/28/562888028.db2.gz WUZJRHKAIFSDMM-UHFFFAOYSA-N 1 0 519.693 7.108 1 0 KKAFRO O=c1cc(C[NH2+]CCCCNc2ccnc3cc(Cl)ccc32)n(C2CC2)cc1OCc1ccccc1 ZINC000299839713 562888281 /nfs/dbraw/zinc/88/82/81/562888281.db2.gz SSGFFPVBFUTSGH-UHFFFAOYSA-N 1 0 503.046 5.946 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3cc(I)ccc32)C1 ZINC000299855539 562891681 /nfs/dbraw/zinc/89/16/81/562891681.db2.gz BHLBJCDZJLBHJT-HYZYYIOASA-N 1 0 596.475 6.667 1 0 KKAFRO COc1ccc(-c2c(=O)n(CCCC[N@H+]3CC=C(c4c[nH]c5ccc(Cl)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299856998 562892038 /nfs/dbraw/zinc/89/20/38/562892038.db2.gz LTQVAYWCICYSLS-UHFFFAOYSA-N 1 0 555.078 5.841 1 0 KKAFRO CC[C@@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3C[NH3+])c2)c1 ZINC000299858193 562892377 /nfs/dbraw/zinc/89/23/77/562892377.db2.gz DIAWPSYORZPEDR-GOSISDBHSA-N 1 0 558.585 5.945 1 0 KKAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CC[NH2+]C34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299858681 562892509 /nfs/dbraw/zinc/89/25/09/562892509.db2.gz GPXUFDVZBJFYSM-CHAUFRDUSA-N 1 0 649.744 6.378 1 0 KKAFRO O=C(CCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 ZINC000299860028 562892867 /nfs/dbraw/zinc/89/28/67/562892867.db2.gz GILOXFBEGDWWCD-UMSFTDKQSA-N 1 0 564.774 5.612 1 0 KKAFRO CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H]([NH2+][C@@H]2CCc3cc(-c4ccccc4)ccc32)C1 ZINC000299860736 562893027 /nfs/dbraw/zinc/89/30/27/562893027.db2.gz JSHGWSNSRPTOND-MQCKJSQQSA-N 1 0 546.677 7.729 1 0 KKAFRO C[NH+](C)CCC1CCN(C(=O)c2cccc(N3c4ccccc4[C@@]4(C[C@H]4c4ccc(Cl)cc4)C3=O)c2)CC1 ZINC000299863639 562893862 /nfs/dbraw/zinc/89/38/62/562893862.db2.gz LHAICUAARRZQFU-GMCHKSTQSA-N 1 0 528.096 6.248 1 0 KKAFRO C[NH+](C)Cc1ccc(-c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)cc1 ZINC000299864555 562894134 /nfs/dbraw/zinc/89/41/34/562894134.db2.gz MLSPTYFHHLAAEP-UHFFFAOYSA-N 1 0 559.645 6.166 1 0 KKAFRO C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299866180 562894585 /nfs/dbraw/zinc/89/45/85/562894585.db2.gz OQCFGGOXRNFFJG-VTBMCNPUSA-N 1 0 545.683 5.790 1 0 KKAFRO C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23c2ccccc2NC3=O)cc1 ZINC000299866179 562894612 /nfs/dbraw/zinc/89/46/12/562894612.db2.gz OQCFGGOXRNFFJG-LQVDNHGOSA-N 1 0 545.683 5.790 1 0 KKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1CCC[C@H]1C(=O)N1CCCCC1 ZINC000299866393 562894639 /nfs/dbraw/zinc/89/46/39/562894639.db2.gz OUGQNTQVGGYIQX-PMERELPUSA-N 1 0 516.730 5.040 1 0 KKAFRO CC1CC[NH+](Cc2cc3ccccc3n2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299866527 562894653 /nfs/dbraw/zinc/89/46/53/562894653.db2.gz WCDMRJARWWWXGG-VWLOTQADSA-N 1 0 563.123 6.333 1 0 KKAFRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000299867315 562894857 /nfs/dbraw/zinc/89/48/57/562894857.db2.gz QDLRHMZRLCCZQC-LABVJWKOSA-N 1 0 557.694 5.936 1 0 KKAFRO COc1cc2oc(-c3cccc(OCCCC[NH+]4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112086 562898651 /nfs/dbraw/zinc/89/86/51/562898651.db2.gz CXVAQFBJLQUWQV-UHFFFAOYSA-N 1 0 558.675 5.463 1 0 KKAFRO CC[N@H+](CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473113704 562898840 /nfs/dbraw/zinc/89/88/40/562898840.db2.gz KGBVQUBFOMCPNH-UHFFFAOYSA-N 1 0 503.595 5.777 1 0 KKAFRO COc1ccccc1C[N@H+](C)CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473115876 562899125 /nfs/dbraw/zinc/89/91/25/562899125.db2.gz VAQPEVVEBZZHNB-UHFFFAOYSA-N 1 0 519.594 5.395 1 0 KKAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@@H+](C1CCOCC1)C2 ZINC000473132684 562900266 /nfs/dbraw/zinc/90/02/66/562900266.db2.gz UCEAVAQSKJVJFP-UHFFFAOYSA-N 1 0 586.158 5.157 1 0 KKAFRO [NH3+]CCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000473135366 562900697 /nfs/dbraw/zinc/90/06/97/562900697.db2.gz OMOUUODZSWASMC-UHFFFAOYSA-N 1 0 570.045 5.751 1 0 KKAFRO FC(F)(F)c1ccc(O[C@@H](CCN2CCN(C(=S)NCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473135751 562900846 /nfs/dbraw/zinc/90/08/46/562900846.db2.gz KIGSQTASCYFZAY-MHZLTWQESA-N 1 0 527.656 5.950 1 0 KKAFRO [NH3+]CCOc1cc2ccccc2cc1C(=O)NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O ZINC000473136149 562900927 /nfs/dbraw/zinc/90/09/27/562900927.db2.gz YCZFGAYDVLVGJT-UHFFFAOYSA-N 1 0 584.072 6.141 1 0 KKAFRO CC[N@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136639 562901101 /nfs/dbraw/zinc/90/11/01/562901101.db2.gz TWRGSFQMYKPGBO-ZOFLGDINSA-N 1 0 536.701 6.780 1 0 KKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)OCC3c4ccccc4-c4ccccc43)cc1)CC2 ZINC000473136921 562901129 /nfs/dbraw/zinc/90/11/29/562901129.db2.gz VDDMODPDYJRYGE-UHFFFAOYSA-N 1 0 653.779 7.918 1 0 KKAFRO CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473144465 562901236 /nfs/dbraw/zinc/90/12/36/562901236.db2.gz AAXNFMPKDBJFBY-NAKRPHOHSA-N 1 0 577.578 5.163 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](C)c2ccc(Cl)cc2)C(C)C)C(C)C)ccc1OC ZINC000473148575 562901462 /nfs/dbraw/zinc/90/14/62/562901462.db2.gz GKPHWTLKUOPGKY-SCSDWAJUSA-N 1 0 591.233 6.197 1 0 KKAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CCOc2ccccc2)C(C)C)C(C)C)ccc1OC ZINC000473151230 562901611 /nfs/dbraw/zinc/90/16/11/562901611.db2.gz OKQSAXOMZMIGOS-BBXFGWPUSA-N 1 0 628.895 6.277 1 0 KKAFRO CC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21 ZINC000473152932 562901929 /nfs/dbraw/zinc/90/19/29/562901929.db2.gz XKVCLVBSFZEOMB-IOWSJCHKSA-N 1 0 521.661 5.237 1 0 KKAFRO COc1ccc2[nH+]c3c(c(NCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154885 562902276 /nfs/dbraw/zinc/90/22/76/562902276.db2.gz MGRHULYUJRQSQW-JGCGQSQUSA-N 1 0 531.697 5.267 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159092 562902645 /nfs/dbraw/zinc/90/26/45/562902645.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 1 0 550.099 5.321 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)CC(C)C)c(N[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200890 562903800 /nfs/dbraw/zinc/90/38/00/562903800.db2.gz JDYQGZNDVPWOBA-MEMLXQNLSA-N 1 0 510.078 6.205 1 0 KKAFRO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473201020 562903810 /nfs/dbraw/zinc/90/38/10/562903810.db2.gz PYEKSCSBXYVZAI-CYWCHRQTSA-N 1 0 508.062 5.816 1 0 KKAFRO O=C([O-])CC[N@@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215238 562903949 /nfs/dbraw/zinc/90/39/49/562903949.db2.gz CNXAMMJOFWZPCL-WCSHMYRTSA-N 1 0 532.773 6.607 1 0 KKAFRO O=C([O-])C1CC[NH+](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215175 562903981 /nfs/dbraw/zinc/90/39/81/562903981.db2.gz AXGIZQOFNZGFRA-DGOISOPDSA-N 1 0 504.719 5.860 1 0 KKAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000473224155 562904153 /nfs/dbraw/zinc/90/41/53/562904153.db2.gz NHYWUCOSILIYIJ-JDXGNMNLSA-N 1 0 654.755 5.027 1 0 KKAFRO [NH2+]=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233225 562904481 /nfs/dbraw/zinc/90/44/81/562904481.db2.gz MWPFNYBDOHKZHA-WXGMZPBLSA-N 1 0 585.793 6.810 1 0 KKAFRO O=C([O-])CC[N@@H+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236422 562904663 /nfs/dbraw/zinc/90/46/63/562904663.db2.gz HCRKFMPEDIKLJD-WCSHMYRTSA-N 1 0 532.773 6.435 1 0 KKAFRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000473243943 562904782 /nfs/dbraw/zinc/90/47/82/562904782.db2.gz FVOCMDWBLIDMCB-JOCHJYFZSA-N 1 0 516.690 6.471 1 0 KKAFRO CCN(c1cc(-c2ccc(C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244436 562904812 /nfs/dbraw/zinc/90/48/12/562904812.db2.gz KSDDFDBVJIQXBH-MCZWQBSQSA-N 1 0 529.729 5.712 1 0 KKAFRO CCN(c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244549 562904865 /nfs/dbraw/zinc/90/48/65/562904865.db2.gz NKLPIAIBBGTPGO-MCZWQBSQSA-N 1 0 582.711 7.027 1 0 KKAFRO COc1ccc(C[C@H]2c3ccc(NCCCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474607968 562905459 /nfs/dbraw/zinc/90/54/59/562905459.db2.gz KRPXDFJBGKVXTA-XIFFEERXSA-N 1 0 563.742 6.207 1 0 KKAFRO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccc(Cl)cc4)C(C)C)ccc3C2)cc1 ZINC000474609880 562905725 /nfs/dbraw/zinc/90/57/25/562905725.db2.gz WOOJNWRKEYERQH-UHFFFAOYSA-N 1 0 540.129 5.036 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4cccc5ncccc54)ccc32)c1C ZINC000653668874 562906058 /nfs/dbraw/zinc/90/60/58/562906058.db2.gz IGAMNPLQYFVIBR-BWAHOGKJSA-N 1 0 507.638 5.411 1 0 KKAFRO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CC[NH+](C)CC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668899 562906064 /nfs/dbraw/zinc/90/60/64/562906064.db2.gz WNZMTCCSAXSUHG-UHFFFAOYSA-N 1 0 558.082 5.111 1 0 KKAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)cn4)cc32)c1C ZINC000653671276 562906163 /nfs/dbraw/zinc/90/61/63/562906163.db2.gz LFJULZIHTJLJSK-DIBXZPPDSA-N 1 0 533.676 5.925 1 0 KKAFRO CC1CC[NH+](CCCC[C@@H]2CCCc3cc(OCCCCCCN4C(=O)c5ccc(N(C)C)cc5C4=O)ccc32)CC1 ZINC000653693426 562906876 /nfs/dbraw/zinc/90/68/76/562906876.db2.gz ISUYGHCIKXNJMF-MUUNZHRXSA-N 1 0 573.822 7.310 1 0 KKAFRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653693922 562906911 /nfs/dbraw/zinc/90/69/11/562906911.db2.gz PXAROTAYNWZPHR-UHFFFAOYSA-N 1 0 539.533 6.547 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3cccc(Br)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653700469 562907311 /nfs/dbraw/zinc/90/73/11/562907311.db2.gz CKWJUPTVNHCKHM-SSEXGKCCSA-N 1 0 635.651 5.611 1 0 KKAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708012 562907965 /nfs/dbraw/zinc/90/79/65/562907965.db2.gz IKPOJXVQIIPVKY-PGUFJCEWSA-N 1 0 633.841 5.458 1 0 KKAFRO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[NH+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)[O-])C2 ZINC000653726210 562909132 /nfs/dbraw/zinc/90/91/32/562909132.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 1 0 602.823 6.879 1 0 KKAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C4CC4)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH2+]CC1 ZINC000653732522 562909517 /nfs/dbraw/zinc/90/95/17/562909517.db2.gz SHQNIGYVFYUGAD-UHFFFAOYSA-N 1 0 588.178 5.893 1 0 KKAFRO CC(=O)N1CC[NH+]([C@H]2CC[C@H](c3cc(OC4CC4)c(Nc4ncc(Cl)c(Nc5cn(C)nc5S(=O)(=O)C(C)C)n4)cc3C)CC2)CC1 ZINC000653735962 562909715 /nfs/dbraw/zinc/90/97/15/562909715.db2.gz FNHUSQPNRSRGMK-RQNOJGIXSA-N 1 0 685.295 5.573 1 0 KKAFRO CC(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000653744957 562910309 /nfs/dbraw/zinc/91/03/09/562910309.db2.gz ICVCYWDWDXHOQA-UHFFFAOYSA-N 1 0 634.684 5.674 1 0 KKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653745690 562910347 /nfs/dbraw/zinc/91/03/47/562910347.db2.gz KUQGSEZEDTXRKC-UHFFFAOYSA-N 1 0 735.256 9.194 1 0 KKAFRO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5ccc(N6CC[NH+](C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653778393 562911998 /nfs/dbraw/zinc/91/19/98/562911998.db2.gz IJJHKYRLHRIQNP-QFIPXVFZSA-N 1 0 518.665 6.494 1 0 KKAFRO C[C@]12CCN(C(=O)C[n+]3cn(Cc4ccccc4Br)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792003 562912743 /nfs/dbraw/zinc/91/27/43/562912743.db2.gz YIIWPJAVKUDCTB-KKLWWLSJSA-N 1 0 592.561 6.276 1 0 KKAFRO C[C@]12CCN(C(=O)C[n+]3cn(Cc4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793907 562912853 /nfs/dbraw/zinc/91/28/53/562912853.db2.gz KMNYKNGRLZKIHW-SZAHLOSFSA-N 1 0 592.561 6.276 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]13)cn2Cc1ccc(Br)cc1 ZINC000653794480 562912925 /nfs/dbraw/zinc/91/29/25/562912925.db2.gz CCJOFWVVEQHIEV-ZPGRZCPFSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1cc2c(cc1C)[n+](CC(=O)N1CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]13)cn2Cc1ccccc1Br ZINC000653794538 562912970 /nfs/dbraw/zinc/91/29/70/562912970.db2.gz UQYFKGXQPXDLQU-XDSPJLLDSA-N 1 0 620.615 6.893 1 0 KKAFRO Cc1n(Cc2ccc(Br)cc2)c2ccccc2[n+]1CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653795067 562913010 /nfs/dbraw/zinc/91/30/10/562913010.db2.gz DJUWYWUCVVBMFP-OIDHKYIRSA-N 1 0 606.588 6.585 1 0 KKAFRO C[NH+](C)CCCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2F)ccn1 ZINC000653842151 562914947 /nfs/dbraw/zinc/91/49/47/562914947.db2.gz SKWYRXHIKWJPRZ-UHFFFAOYSA-N 1 0 511.508 5.145 1 0 KKAFRO CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C[NH3+])n2)CC1 ZINC000653846608 562915262 /nfs/dbraw/zinc/91/52/62/562915262.db2.gz VJMLSEYIFUGJLR-NSJVFKKDSA-N 1 0 693.689 6.265 1 0 KKAFRO CC[NH+](CC)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ccn1 ZINC000653851564 562915542 /nfs/dbraw/zinc/91/55/42/562915542.db2.gz PIZZVRANYXBXNF-UHFFFAOYSA-N 1 0 558.445 6.564 1 0 KKAFRO C[NH+](C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ccn1 ZINC000653851019 562915554 /nfs/dbraw/zinc/91/55/54/562915554.db2.gz XBMWYSVPZHKSDU-UHFFFAOYSA-N 1 0 530.391 5.784 1 0 KKAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccn3)nnc2[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000653852815 562915633 /nfs/dbraw/zinc/91/56/33/562915633.db2.gz IXYGNNGNXNGTKZ-QCENPCRXSA-N 1 0 571.685 5.168 1 0 KKAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)Oc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1 ZINC000653857056 562915793 /nfs/dbraw/zinc/91/57/93/562915793.db2.gz WRWSZPDJAJPFBH-FQEVSTJZSA-N 1 0 512.576 5.311 1 0 KKAFRO CCCCC[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCC)cc6)nc5c4)nc3c2)CC1 ZINC000653889597 562917100 /nfs/dbraw/zinc/91/71/00/562917100.db2.gz QCGVATOMCXGJDP-UHFFFAOYSA-N 1 0 508.670 6.484 1 0 KKAFRO C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C(C)C)CC4)c3)cnc2N)c1 ZINC000653900957 562917538 /nfs/dbraw/zinc/91/75/38/562917538.db2.gz VAQTZTINFQWWJP-UHFFFAOYSA-N 1 0 547.667 5.098 1 0 KKAFRO CC(=O)Nc1ccc2c3c1cccc3C(=O)N(CCCC[NH+]1CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O ZINC000653916416 562917918 /nfs/dbraw/zinc/91/79/18/562917918.db2.gz WCNVCGGOZIHRLK-UHFFFAOYSA-N 1 0 632.740 6.288 1 0 KKAFRO C[NH2+]C[C@@H]1CCC[C@@]2(C1)c1cccc(c1)C[C@@H](c1ccc(O)cc1)[C@H](CCCCCC[C@@H]1C=C(CC[NH3+])CC1)C/C=C\C[C@H]2C(=O)[O-] ZINC000085489042 565124934 /nfs/dbraw/zinc/12/49/34/565124934.db2.gz JXCFBPCEYGWFGT-REHGHDJJSA-N 1 0 640.953 9.059 1 0 biogenic,in-vitro KKAFRO NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@H](CC[C@H](CCC[C@H](O)CCCCCCO)c2ccc3ccccc3c2)NC2=[NH+]CC=C2)N1 ZINC000085510189 565134281 /nfs/dbraw/zinc/13/42/81/565134281.db2.gz OFMCUIOJYFVDTR-VRPZNHSQSA-N 1 0 602.800 5.460 1 0 biogenic,in-vitro KKAFRO [NH3+]CCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@@]21/C(=C/[C@@H]1CC[C@@H]2CC[C@@H]4C=CC=C[C@]42C1)OC3=O ZINC000085531980 565137220 /nfs/dbraw/zinc/13/72/20/565137220.db2.gz NWICTNSRYYFURR-IHOVNMDBSA-N 1 0 633.873 8.636 1 0 biogenic,in-vitro KKAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)C[C@@H]3CCCC34CCCC4)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532455 565137677 /nfs/dbraw/zinc/13/76/77/565137677.db2.gz HSZVPEWOXCAXQJ-FWGDENQASA-N 1 0 657.936 8.781 1 0 biogenic,in-vitro KKAFRO CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)OC(C)=O ZINC000085596761 565155960 /nfs/dbraw/zinc/15/59/60/565155960.db2.gz GTMVAMRRKVRZGT-NRTVPAGOSA-N 1 0 670.888 5.281 1 0 biogenic,in-vitro KKAFRO CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000103533105 565194649 /nfs/dbraw/zinc/19/46/49/565194649.db2.gz JZVCOFGUXDYEGN-UHFFFAOYSA-N 1 0 638.741 5.179 1 0 biogenic,in-vitro KKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3S(=O)(=O)N3CCCCC3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823343 581100699 /nfs/dbraw/zinc/10/06/99/581100699.db2.gz JRCHKVVMHCOVBA-KHWZPXINSA-N 1 0 578.706 5.784 1 0 KKAFRO