smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@@H](Cc4ccc(N)[nH+]c4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543143 291987559 /nfs/dbraw/zinc/98/75/59/291987559.db2.gz ONYDSNDEHCYDBQ-NXPSXSHZSA-N 2 1 509.779 6.171 1 0 biogenic,in-vitro KKAFMP O[C@@]12C=C([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000003919431 561685604 /nfs/dbraw/zinc/68/56/04/561685604.db2.gz XKUVHUCZHJQMJW-YKFBYAIZSA-N 3 1 552.807 6.037 1 0 KKAFMP O[C@@]12C=C([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000003919431 561685606 /nfs/dbraw/zinc/68/56/06/561685606.db2.gz XKUVHUCZHJQMJW-YKFBYAIZSA-N 3 1 552.807 6.037 1 0 KKAFMP O[C@@]12C=C([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000003919431 561685608 /nfs/dbraw/zinc/68/56/08/561685608.db2.gz XKUVHUCZHJQMJW-YKFBYAIZSA-N 3 1 552.807 6.037 1 0 KKAFMP C[C@]12CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@]1(c1cccc(O)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000013677952 561724330 /nfs/dbraw/zinc/72/43/30/561724330.db2.gz KUXXTJDLTCNNFH-KTCJXSDQSA-N 2 1 517.758 5.520 1 0 KKAFMP O[C@@H]1C[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(I)c2)C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000013799377 561730367 /nfs/dbraw/zinc/73/03/67/561730367.db2.gz VBFROMGJGLRPSF-MIRJVGOZSA-N 2 1 530.494 5.275 1 0 KKAFMP CCOc1ccc(CCN2C(=O)C(=O)N([C@H](CCC[N@@H+](C)Cc3ccccc3)C[NH2+]Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC000017376890 561755095 /nfs/dbraw/zinc/75/50/95/561755095.db2.gz ZWSBFXXFYHLPGI-VLZNPVHKSA-N 2 1 598.832 5.394 3 0 KKAFMP CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026653511 561808753 /nfs/dbraw/zinc/80/87/53/561808753.db2.gz YENQPZRMKBJCFS-XDFJSJKPSA-N 2 1 511.710 6.025 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674922 561813758 /nfs/dbraw/zinc/81/37/58/561813758.db2.gz XUWDLZRLAJISLR-UHFFFAOYSA-N 2 1 592.184 6.756 1 0 KKAFMP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753100 561820159 /nfs/dbraw/zinc/82/01/59/561820159.db2.gz OPGSAPXNXKJRSG-MAZIBIHTSA-N 2 1 622.898 6.988 1 0 KKAFMP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753100 561820161 /nfs/dbraw/zinc/82/01/61/561820161.db2.gz OPGSAPXNXKJRSG-MAZIBIHTSA-N 2 1 622.898 6.988 1 0 KKAFMP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753100 561820163 /nfs/dbraw/zinc/82/01/63/561820163.db2.gz OPGSAPXNXKJRSG-MAZIBIHTSA-N 2 1 622.898 6.988 1 0 KKAFMP C[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2 ZINC000027322447 561852847 /nfs/dbraw/zinc/85/28/47/561852847.db2.gz UBICYFGZMQMCLZ-UHFFFAOYSA-N 3 1 576.616 8.083 1 0 KKAFMP C[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2c(nc3cc(Cl)cc(Cl)c31)CCCC2 ZINC000027322447 561852848 /nfs/dbraw/zinc/85/28/48/561852848.db2.gz UBICYFGZMQMCLZ-UHFFFAOYSA-N 2 1 576.616 8.083 1 0 KKAFMP C[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2c(nc3cc(Cl)cc(Cl)c31)CCCC2 ZINC000027322447 561852850 /nfs/dbraw/zinc/85/28/50/561852850.db2.gz UBICYFGZMQMCLZ-UHFFFAOYSA-N 2 1 576.616 8.083 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](CCCc4ccccc4)CCCc4ccccc4)CC3)cc[nH+]c2c1 ZINC000027627877 561873431 /nfs/dbraw/zinc/87/34/31/561873431.db2.gz KTGHHSQYRLHFOU-UHFFFAOYSA-N 3 1 598.279 7.266 1 0 KKAFMP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[N@H+]3CCC[C@H]3CO)cc2)ccc1C[NH+]1CCCC1 ZINC000027879173 561888918 /nfs/dbraw/zinc/88/89/18/561888918.db2.gz GHEMVOFVZQDLMK-MHZLTWQESA-N 2 1 572.771 6.305 1 0 KKAFMP [NH3+][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 561896699 /nfs/dbraw/zinc/89/66/99/561896699.db2.gz NRXLSVZBUARMKR-CUGVKSGVSA-N 2 1 599.697 7.048 1 0 KKAFMP [NH3+][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 561896700 /nfs/dbraw/zinc/89/67/00/561896700.db2.gz NRXLSVZBUARMKR-CUGVKSGVSA-N 2 1 599.697 7.048 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028112193 561903200 /nfs/dbraw/zinc/90/32/00/561903200.db2.gz BRXPRAJZVJZRHT-HXUWFJFHSA-N 2 1 572.408 7.546 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028114592 561903456 /nfs/dbraw/zinc/90/34/56/561903456.db2.gz XWTXCJZHFFXBFP-OAQYLSRUSA-N 2 1 571.515 7.258 1 0 KKAFMP COC[C@@H]1CCC[N@H+]1Cc1ccc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC000028226098 561908000 /nfs/dbraw/zinc/90/80/00/561908000.db2.gz QAADFUGORSBLGV-LJAQVGFWSA-N 2 1 570.799 7.259 1 0 KKAFMP CC1(F)CC[NH+]([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028572082 561939731 /nfs/dbraw/zinc/93/97/31/561939731.db2.gz LQAUSOVDKYFMFH-IZZNHLLZSA-N 2 1 524.080 6.193 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028645976 561944829 /nfs/dbraw/zinc/94/48/29/561944829.db2.gz KDCUNRVJJBHDMD-UUWRZZSWSA-N 2 1 545.762 7.086 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCCN1CCN(CCC[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954431 /nfs/dbraw/zinc/95/44/31/561954431.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 2 1 678.966 5.020 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCC[NH+](C)Cc1cccc2ccccc21 ZINC000028714110 561954564 /nfs/dbraw/zinc/95/45/64/561954564.db2.gz ALCISMKSZCKHCH-KOFKOUSMSA-N 2 1 636.925 7.669 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@H+](C)Cc1cccc2ccccc21 ZINC000028714110 561954566 /nfs/dbraw/zinc/95/45/66/561954566.db2.gz ALCISMKSZCKHCH-KOFKOUSMSA-N 2 1 636.925 7.669 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000028714110 561954568 /nfs/dbraw/zinc/95/45/68/561954568.db2.gz ALCISMKSZCKHCH-KOFKOUSMSA-N 2 1 636.925 7.669 1 0 KKAFMP COc1ccccc1C[N@@H+](C)CCCCCCCCCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714104 561954578 /nfs/dbraw/zinc/95/45/78/561954578.db2.gz BWSSOVPALRZCNH-GJITUFOTSA-N 2 1 616.891 6.524 1 0 KKAFMP COc1ccccc1C[NH+](C)CCCCCCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714104 561954580 /nfs/dbraw/zinc/95/45/80/561954580.db2.gz BWSSOVPALRZCNH-GJITUFOTSA-N 2 1 616.891 6.524 1 0 KKAFMP COc1ccccc1C[NH+](C)CCCCCCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714104 561954582 /nfs/dbraw/zinc/95/45/82/561954582.db2.gz BWSSOVPALRZCNH-GJITUFOTSA-N 2 1 616.891 6.524 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714103 561954695 /nfs/dbraw/zinc/95/46/95/561954695.db2.gz UXVMSZREGCXMRS-LNRBAWTCSA-N 2 1 615.907 6.691 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCCCC[N@H+](C)Cc1ccccn1 ZINC000028714103 561954696 /nfs/dbraw/zinc/95/46/96/561954696.db2.gz UXVMSZREGCXMRS-LNRBAWTCSA-N 2 1 615.907 6.691 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCCCC[N@@H+](C)Cc1ccccn1 ZINC000028714103 561954697 /nfs/dbraw/zinc/95/46/97/561954697.db2.gz UXVMSZREGCXMRS-LNRBAWTCSA-N 2 1 615.907 6.691 1 0 KKAFMP Clc1cccc([C@@H]([NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028822342 561966838 /nfs/dbraw/zinc/96/68/38/561966838.db2.gz KQRIKZLDGZORML-QNGWXLTQSA-N 4 1 645.723 6.748 1 0 KKAFMP C[C@H]([NH2+]CCCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824128 561969013 /nfs/dbraw/zinc/96/90/13/561969013.db2.gz NHPJKBQBCRAMLO-NRFANRHFSA-N 2 1 520.077 5.847 1 0 KKAFMP Cc1ccc([C@@H](CC(C)C)NC(=O)CC[NH+](C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)[nH+]1 ZINC000028826806 561971514 /nfs/dbraw/zinc/97/15/14/561971514.db2.gz GLNBATBKCBLDAT-JIPXPUAJSA-N 2 1 576.613 5.379 1 0 KKAFMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889967 561978208 /nfs/dbraw/zinc/97/82/08/561978208.db2.gz ZEVOVEIYFPOJLM-FFCVWOAGSA-N 2 1 563.117 6.402 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccs4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953731 561982501 /nfs/dbraw/zinc/98/25/01/561982501.db2.gz OMXPTWYLAUIZEY-IZLXSDGUSA-N 2 1 543.221 5.462 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccc(F)c4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953971 561982755 /nfs/dbraw/zinc/98/27/55/561982755.db2.gz STPYEFLVJGTDLF-IHLOFXLRSA-N 2 1 555.182 5.540 1 0 KKAFMP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953981 561982727 /nfs/dbraw/zinc/98/27/27/561982727.db2.gz OZBJWYJPKIGZKH-JSOSNVBQSA-N 2 1 567.218 5.409 1 0 KKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055760 561995005 /nfs/dbraw/zinc/99/50/05/561995005.db2.gz ZZKZUUMHRSWLQQ-FZNHDDJXSA-N 2 1 562.883 8.796 1 0 in-vivo KKAFMP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cc[nH+]c4C)c3=O)CC2)C(C)C)c1 ZINC000029063582 561996305 /nfs/dbraw/zinc/99/63/05/561996305.db2.gz ULSQCYSSRBVLAT-GDLZYMKVSA-N 2 1 531.701 5.261 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)C(C)C ZINC000029134709 562004220 /nfs/dbraw/zinc/00/42/20/562004220.db2.gz IDDQJXZUGKJHDT-UHFFFAOYSA-N 2 1 532.006 7.400 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)C(C)C ZINC000029134709 562004221 /nfs/dbraw/zinc/00/42/21/562004221.db2.gz IDDQJXZUGKJHDT-UHFFFAOYSA-N 2 1 532.006 7.400 1 0 KKAFMP CCCN(CCC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546740 562030038 /nfs/dbraw/zinc/03/00/38/562030038.db2.gz LCBHQIDVXKUJSD-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP CCCN(CCC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546740 562030040 /nfs/dbraw/zinc/03/00/40/562030040.db2.gz LCBHQIDVXKUJSD-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP CCCN(CCC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546740 562030042 /nfs/dbraw/zinc/03/00/42/562030042.db2.gz LCBHQIDVXKUJSD-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351674 562058975 /nfs/dbraw/zinc/05/89/75/562058975.db2.gz CYSAXXFGKMEENX-MGBGTMOVSA-N 2 1 580.575 7.992 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351674 562058976 /nfs/dbraw/zinc/05/89/76/562058976.db2.gz CYSAXXFGKMEENX-MGBGTMOVSA-N 2 1 580.575 7.992 1 0 KKAFMP CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351706 562058985 /nfs/dbraw/zinc/05/89/85/562058985.db2.gz YBAMUENHBJVFDO-CLTMYIMISA-N 2 1 562.753 5.391 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccccc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351691 562059024 /nfs/dbraw/zinc/05/90/24/562059024.db2.gz COYFWRQZIIDGFN-XIFFEERXSA-N 2 1 562.585 7.853 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccccc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351691 562059026 /nfs/dbraw/zinc/05/90/26/562059026.db2.gz COYFWRQZIIDGFN-XIFFEERXSA-N 2 1 562.585 7.853 1 0 KKAFMP CN1CCC(CC2CCCCC2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157818 562069399 /nfs/dbraw/zinc/06/93/99/562069399.db2.gz NMKAUOMKZJYMKD-JHOUSYSJSA-N 2 1 620.282 5.181 1 0 KKAFMP CCN(CC)C(=S)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000038516389 562072004 /nfs/dbraw/zinc/07/20/04/562072004.db2.gz IGTFZSOMLHHHPK-UIOOFZCWSA-N 2 1 502.838 5.449 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040421842 562075904 /nfs/dbraw/zinc/07/59/04/562075904.db2.gz UVDYJMKGYKBGSP-UHFFFAOYSA-N 3 1 535.780 7.557 1 0 KKAFMP CCCC[C@@H]1C[N@@H+](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040913529 562083692 /nfs/dbraw/zinc/08/36/92/562083692.db2.gz GJIANMVZCSNYHP-MUUNZHRXSA-N 2 1 539.809 5.109 1 0 KKAFMP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]2[NH2+]CC3)[N@@H+](C)CC4 ZINC000085541002 560071558 /nfs/dbraw/zinc/07/15/58/560071558.db2.gz QDRZXFIVQYPSTN-KYJUHHDHSA-N 2 1 578.709 6.013 1 0 biogenic,in-vitro KKAFMP C[NH+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@]1(c3ccccc3)CC[C@H](C(=O)OC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c3ccccc31)C2 ZINC000001662416 560183449 /nfs/dbraw/zinc/18/34/49/560183449.db2.gz GERIGMSHTUAXSI-VVTNGAEESA-N 2 1 542.720 5.187 1 0 biogenic,in-vitro KKAFMP C[NH+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@H]1CC[C@](C(=O)OC3C[C@H]4CC[C@@H](C3)[N@H+]4C)(c3ccccc3)c3ccccc31)C2 ZINC000001662416 560183451 /nfs/dbraw/zinc/18/34/51/560183451.db2.gz GERIGMSHTUAXSI-VVTNGAEESA-N 2 1 542.720 5.187 1 0 biogenic,in-vitro KKAFMP C[NH+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@H]1CC[C@](C(=O)OC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)(c3ccccc3)c3ccccc31)C2 ZINC000001662416 560183453 /nfs/dbraw/zinc/18/34/53/560183453.db2.gz GERIGMSHTUAXSI-VVTNGAEESA-N 2 1 542.720 5.187 1 0 biogenic,in-vitro KKAFMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@H](c2ccccc2)C1 ZINC000043065905 562645334 /nfs/dbraw/zinc/64/53/34/562645334.db2.gz HLFQPMNDRXUKAD-MHZLTWQESA-N 2 1 525.619 5.159 1 0 KKAFMP C[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@H](c2ccccc2)C1 ZINC000043065905 562645335 /nfs/dbraw/zinc/64/53/35/562645335.db2.gz HLFQPMNDRXUKAD-MHZLTWQESA-N 2 1 525.619 5.159 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1cccc([C@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044281448 562653098 /nfs/dbraw/zinc/65/30/98/562653098.db2.gz KDWOPADIGXTVPB-ZWDFMOMQSA-N 2 1 562.751 5.253 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1cccc([C@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044281448 562653099 /nfs/dbraw/zinc/65/30/99/562653099.db2.gz KDWOPADIGXTVPB-ZWDFMOMQSA-N 2 1 562.751 5.253 1 0 KKAFMP CC[N@H+](CCCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416837 562656940 /nfs/dbraw/zinc/65/69/40/562656940.db2.gz LUSQBOYQNVVORG-UHFFFAOYSA-N 2 1 568.187 5.990 1 0 KKAFMP CC[N@@H+](CCCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416837 562656941 /nfs/dbraw/zinc/65/69/41/562656941.db2.gz LUSQBOYQNVVORG-UHFFFAOYSA-N 2 1 568.187 5.990 1 0 KKAFMP Clc1ccc2c(NCCC[NH+](CCC34CC5CC(CC(C5)C3)C4)CCC34CC5CC(CC(C5)C3)C4)cc[nH+]c2c1 ZINC000044416935 562657012 /nfs/dbraw/zinc/65/70/12/562657012.db2.gz DXJSRIBUZHVWKH-UHFFFAOYSA-N 2 1 560.270 9.205 1 0 KKAFMP CC(C)[NH+]1CCC(Oc2ccc(C[NH+]3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168976 562658120 /nfs/dbraw/zinc/65/81/20/562658120.db2.gz HTHWWQRUXVIKQR-YTTGMZPUSA-N 2 1 518.145 6.499 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045202424 562659170 /nfs/dbraw/zinc/65/91/70/562659170.db2.gz GYJLSVGCZDYPMX-NRFANRHFSA-N 2 1 500.470 5.481 1 0 KKAFMP C[N@H+](CCCNC(=S)NC12CC3CC(CC(C3)C1)C2)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000045210272 562659297 /nfs/dbraw/zinc/65/92/97/562659297.db2.gz YDZUUUIVDVFNBA-UHFFFAOYSA-N 2 1 500.156 5.445 1 0 KKAFMP C[N@@H+](CCCNC(=S)NC12CC3CC(CC(C3)C1)C2)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000045210272 562659298 /nfs/dbraw/zinc/65/92/98/562659298.db2.gz YDZUUUIVDVFNBA-UHFFFAOYSA-N 2 1 500.156 5.445 1 0 KKAFMP FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)s3)[nH]c2c1 ZINC000045227987 562659414 /nfs/dbraw/zinc/65/94/14/562659414.db2.gz HNSWEVZOXFFVOX-UHFFFAOYSA-N 2 1 519.596 6.694 1 0 KKAFMP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4ccccc4)C3)cc2)c(C(=O)NCC2CCCCC2)c1 ZINC000045228239 562659418 /nfs/dbraw/zinc/65/94/18/562659418.db2.gz ZGYCKXWIXDHTSP-XIFFEERXSA-N 2 1 537.792 7.541 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)Nc3ccccc3)c2)c1 ZINC000045230674 562659635 /nfs/dbraw/zinc/65/96/35/562659635.db2.gz IZFRRYCYRSXULU-UHFFFAOYSA-N 2 1 527.757 5.771 1 0 KKAFMP Clc1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccc(Cl)cc4)C2[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000045245963 562659778 /nfs/dbraw/zinc/65/97/78/562659778.db2.gz OBOMXJSGFCCWHY-HWOSFROGSA-N 2 1 519.560 7.806 1 0 KKAFMP Cc1nc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[NH+](C)CC7)c6cc54)cccc23)no1 ZINC000045301674 562660554 /nfs/dbraw/zinc/66/05/54/562660554.db2.gz MSHBRSCHDOLYKJ-UHFFFAOYSA-N 2 1 519.609 5.093 1 0 KKAFMP CCC[N@@H+](CCC[NH+](C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 562663853 /nfs/dbraw/zinc/66/38/53/562663853.db2.gz XOJOTGJAUPIDAC-VWLOTQADSA-N 3 1 511.759 6.709 1 0 KKAFMP CCCN(CCC[NH+](C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 562663854 /nfs/dbraw/zinc/66/38/54/562663854.db2.gz XOJOTGJAUPIDAC-VWLOTQADSA-N 2 1 511.759 6.709 1 0 KKAFMP CCC[N@H+](CCCN(C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 562663855 /nfs/dbraw/zinc/66/38/55/562663855.db2.gz XOJOTGJAUPIDAC-VWLOTQADSA-N 2 1 511.759 6.709 1 0 KKAFMP CCC[N@@H+](CCCN(C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 562663856 /nfs/dbraw/zinc/66/38/56/562663856.db2.gz XOJOTGJAUPIDAC-VWLOTQADSA-N 2 1 511.759 6.709 1 0 KKAFMP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664244 /nfs/dbraw/zinc/66/42/44/562664244.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 2 1 516.693 6.155 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049614201 562666513 /nfs/dbraw/zinc/66/65/13/562666513.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 2 1 702.804 7.966 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049614201 562666514 /nfs/dbraw/zinc/66/65/14/562666514.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 2 1 702.804 7.966 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049614201 562666515 /nfs/dbraw/zinc/66/65/15/562666515.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 2 1 702.804 7.966 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049650010 562667916 /nfs/dbraw/zinc/66/79/16/562667916.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 2 1 726.870 8.302 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049650010 562667917 /nfs/dbraw/zinc/66/79/17/562667917.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 2 1 726.870 8.302 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049650010 562667918 /nfs/dbraw/zinc/66/79/18/562667918.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 2 1 726.870 8.302 1 0 KKAFMP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])N7CCCCCC7)cc6[nH]5)cc4)cc3)nc2c1)N1CCCCCC1 ZINC000049650020 562667972 /nfs/dbraw/zinc/66/79/72/562667972.db2.gz UXPRWFZEHJRIAY-UHFFFAOYSA-N 2 1 650.831 8.968 1 0 KKAFMP CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049757008 562675409 /nfs/dbraw/zinc/67/54/09/562675409.db2.gz LXFFLYDBDKTURS-SYOUHCTFSA-N 2 1 590.856 7.739 1 0 KKAFMP CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049757008 562675410 /nfs/dbraw/zinc/67/54/10/562675410.db2.gz LXFFLYDBDKTURS-SYOUHCTFSA-N 2 1 590.856 7.739 1 0 KKAFMP CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049757008 562675411 /nfs/dbraw/zinc/67/54/11/562675411.db2.gz LXFFLYDBDKTURS-SYOUHCTFSA-N 2 1 590.856 7.739 1 0 KKAFMP CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049761927 562676200 /nfs/dbraw/zinc/67/62/00/562676200.db2.gz HXIAUGNCAZISTM-VZCIPQIESA-N 2 1 605.827 6.814 1 0 KKAFMP CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049761927 562676201 /nfs/dbraw/zinc/67/62/01/562676201.db2.gz HXIAUGNCAZISTM-VZCIPQIESA-N 2 1 605.827 6.814 1 0 KKAFMP CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049761927 562676202 /nfs/dbraw/zinc/67/62/02/562676202.db2.gz HXIAUGNCAZISTM-VZCIPQIESA-N 2 1 605.827 6.814 1 0 KKAFMP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CC[NH+]4CCC([N@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777427 562680053 /nfs/dbraw/zinc/68/00/53/562680053.db2.gz FRIBUZAMFTUFSB-PMERELPUSA-N 2 1 630.899 5.945 1 0 KKAFMP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CC[NH+]4CCC([N@@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777427 562680054 /nfs/dbraw/zinc/68/00/54/562680054.db2.gz FRIBUZAMFTUFSB-PMERELPUSA-N 2 1 630.899 5.945 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@@H+]2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[NH+]2C)cc1 ZINC000049898467 562692553 /nfs/dbraw/zinc/69/25/53/562692553.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 2 1 670.803 6.477 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@H+]2C)cc1 ZINC000049898467 562692554 /nfs/dbraw/zinc/69/25/54/562692554.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 2 1 670.803 6.477 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@@H+]2C)cc1 ZINC000049898467 562692555 /nfs/dbraw/zinc/69/25/55/562692555.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 2 1 670.803 6.477 1 0 KKAFMP [NH3+]CCc1c2cc([O-])c([C@@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902775 562693393 /nfs/dbraw/zinc/69/33/93/562693393.db2.gz CYAJKOUHPRYFRD-PKTZIBPZSA-N 2 1 650.419 6.044 1 0 KKAFMP CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917585 562693618 /nfs/dbraw/zinc/69/36/18/562693618.db2.gz IKEZPWSTUBREGN-ZABMDDCTSA-N 2 1 622.851 5.212 1 0 KKAFMP Cc1cccc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)n1 ZINC000058482702 562698057 /nfs/dbraw/zinc/69/80/57/562698057.db2.gz QTQXLLIQPPYVHT-VWLOTQADSA-N 2 1 554.698 6.637 1 0 KKAFMP Cc1cccc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)n1 ZINC000058482702 562698058 /nfs/dbraw/zinc/69/80/58/562698058.db2.gz QTQXLLIQPPYVHT-VWLOTQADSA-N 2 1 554.698 6.637 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2[nH]ccc2C1 ZINC000058522878 562698569 /nfs/dbraw/zinc/69/85/69/562698569.db2.gz PXQLXHKHOYCSAS-MHZLTWQESA-N 2 1 501.781 5.503 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@H]1CCc2[nH]ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058522878 562698570 /nfs/dbraw/zinc/69/85/70/562698570.db2.gz PXQLXHKHOYCSAS-MHZLTWQESA-N 2 1 501.781 5.503 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@H]1CCc2[nH]ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058522878 562698571 /nfs/dbraw/zinc/69/85/71/562698571.db2.gz PXQLXHKHOYCSAS-MHZLTWQESA-N 2 1 501.781 5.503 1 0 KKAFMP CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058540966 562698923 /nfs/dbraw/zinc/69/89/23/562698923.db2.gz XBKHTHKBQDTZPE-LFQBJWFLSA-N 3 1 619.902 5.723 1 0 KKAFMP 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)[NH+]1CC[C@H](O)C1 ZINC000058609055 562701008 /nfs/dbraw/zinc/70/10/08/562701008.db2.gz LCZZNXMWRVFVOT-LYBDLDKZSA-N 2 1 658.230 5.555 1 0 KKAFMP Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[NH+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)[N@@H+]1CC[C@H](O)C1 ZINC000058609055 562701009 /nfs/dbraw/zinc/70/10/09/562701009.db2.gz LCZZNXMWRVFVOT-LYBDLDKZSA-N 2 1 658.230 5.555 1 0 KKAFMP Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[NH+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)[N@H+]1CC[C@H](O)C1 ZINC000058609055 562701010 /nfs/dbraw/zinc/70/10/10/562701010.db2.gz LCZZNXMWRVFVOT-LYBDLDKZSA-N 2 1 658.230 5.555 1 0 KKAFMP CCc1[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CC[NH+](C)C)CC1CC1 ZINC000061904320 562702946 /nfs/dbraw/zinc/70/29/46/562702946.db2.gz XXFZLBMEIBXEJA-UHFFFAOYSA-N 2 1 511.670 5.603 3 0 KKAFMP CC[NH+]1CCN(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064373206 562704867 /nfs/dbraw/zinc/70/48/67/562704867.db2.gz KBKMCQSBCNCPIL-KEANYWJXSA-N 3 1 500.775 5.284 1 0 KKAFMP CCN1CCN(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064373206 562704868 /nfs/dbraw/zinc/70/48/68/562704868.db2.gz KBKMCQSBCNCPIL-KEANYWJXSA-N 2 1 500.775 5.284 1 0 KKAFMP CCN1CCN(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064373206 562704869 /nfs/dbraw/zinc/70/48/69/562704869.db2.gz KBKMCQSBCNCPIL-KEANYWJXSA-N 2 1 500.775 5.284 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104357 562711702 /nfs/dbraw/zinc/71/17/02/562711702.db2.gz VZDMPXBUIWEQHN-UMSFTDKQSA-N 2 1 620.842 6.043 1 0 KKAFMP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066123514 562712530 /nfs/dbraw/zinc/71/25/30/562712530.db2.gz ZXMKGUQSCOBXGD-PIGLOVQCSA-N 3 1 640.748 6.234 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@@H+](CCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071296336 562717499 /nfs/dbraw/zinc/71/74/99/562717499.db2.gz BXUKKRHEMKVWOY-MGBGTMOVSA-N 2 1 627.273 7.555 1 0 KKAFMP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000073279987 562737389 /nfs/dbraw/zinc/73/73/89/562737389.db2.gz PNYWSRFQQRUDKN-PSXMRANNSA-N 2 1 615.884 6.032 1 0 KKAFMP CN1CC[NH+](CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150178 562739763 /nfs/dbraw/zinc/73/97/63/562739763.db2.gz OJKVDKLFJYQQNR-WYJFYEORSA-N 2 1 515.742 5.142 1 0 KKAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(-c3cccc(C[NH+]4Cc5ccccc5C4)c3)cc1)ccc2O ZINC000082158858 562741130 /nfs/dbraw/zinc/74/11/30/562741130.db2.gz NGFREUBJOZESFK-UHFFFAOYSA-N 2 1 521.686 5.853 1 0 KKAFMP O=C(NCCC[NH+](CCCC[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000082185934 562742315 /nfs/dbraw/zinc/74/23/15/562742315.db2.gz UXFATSAFEVUKRA-UHFFFAOYSA-N 2 1 674.730 7.215 1 0 KKAFMP COc1cccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3nc[nH+]c(NC[C@@H]4CCCO4)c32)c1 ZINC000084731763 562751757 /nfs/dbraw/zinc/75/17/57/562751757.db2.gz XMSTXAFMIGLWTF-VWLOTQADSA-N 2 1 513.642 5.366 1 0 KKAFMP C[NH+](CCNC(=O)CC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536811 562754171 /nfs/dbraw/zinc/75/41/71/562754171.db2.gz JTGUYKKQPOUVPJ-UHFFFAOYSA-N 2 1 777.713 5.302 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095594366 562776438 /nfs/dbraw/zinc/77/64/38/562776438.db2.gz CTPTZGZKYVWFKJ-DOVUUNBWSA-N 2 1 794.990 5.020 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095594366 562776439 /nfs/dbraw/zinc/77/64/39/562776439.db2.gz CTPTZGZKYVWFKJ-DOVUUNBWSA-N 2 1 794.990 5.020 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095594366 562776440 /nfs/dbraw/zinc/77/64/40/562776440.db2.gz CTPTZGZKYVWFKJ-DOVUUNBWSA-N 2 1 794.990 5.020 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccc(Cl)cc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000095595927 562776837 /nfs/dbraw/zinc/77/68/37/562776837.db2.gz YDVHTDFJRKVWLR-UHFFFAOYSA-N 2 1 619.529 5.567 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccc(Cl)cc1Cl)CCc1cc2c(cc1-3)OCO2 ZINC000095595927 562776838 /nfs/dbraw/zinc/77/68/38/562776838.db2.gz YDVHTDFJRKVWLR-UHFFFAOYSA-N 2 1 619.529 5.567 1 0 KKAFMP COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@H+](CC2CCCCC2)[C@H]1CO ZINC000095666412 562788230 /nfs/dbraw/zinc/78/82/30/562788230.db2.gz XKHKGEXEYHPOPX-VWLOTQADSA-N 2 1 508.732 5.107 1 0 KKAFMP COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@@H+](CC2CCCCC2)[C@H]1CO ZINC000095666412 562788231 /nfs/dbraw/zinc/78/82/31/562788231.db2.gz XKHKGEXEYHPOPX-VWLOTQADSA-N 2 1 508.732 5.107 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095612955 562785932 /nfs/dbraw/zinc/78/59/32/562785932.db2.gz CISZZHPGYPWFDW-CHDFXNRKSA-N 3 1 769.923 8.406 1 0 KKAFMP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3[nH+]cc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787320 /nfs/dbraw/zinc/78/73/20/562787320.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 2 1 504.650 5.012 1 0 KKAFMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696095 562811803 /nfs/dbraw/zinc/81/18/03/562811803.db2.gz OXMIJSVIKYIGSO-HSZRJFAPSA-N 2 1 610.780 6.067 1 0 KKAFMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696095 562811804 /nfs/dbraw/zinc/81/18/04/562811804.db2.gz OXMIJSVIKYIGSO-HSZRJFAPSA-N 2 1 610.780 6.067 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[NH+](C)CC2)C[N@@H+](C)C4 ZINC000105448230 562825209 /nfs/dbraw/zinc/82/52/09/562825209.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)C[NH+](C)C4 ZINC000105448230 562825210 /nfs/dbraw/zinc/82/52/10/562825210.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)C[NH+](C)C4 ZINC000105448230 562825211 /nfs/dbraw/zinc/82/52/11/562825211.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 2 1 608.735 6.859 1 0 KKAFMP C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](Cc5ccco5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685830 562833268 /nfs/dbraw/zinc/83/32/68/562833268.db2.gz SAKZWHDDNTUCCS-GMAHTHKFSA-N 2 1 530.635 5.381 1 0 KKAFMP O[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000145566936 562837353 /nfs/dbraw/zinc/83/73/53/562837353.db2.gz XISVXJWNLOWHCO-PQQNNWGCSA-N 2 1 560.782 6.160 1 0 KKAFMP CC[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[N@H+](C)CC)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150604351 562847657 /nfs/dbraw/zinc/84/76/57/562847657.db2.gz ASFUWJHTRWCQLF-IYTFMMMVSA-N 2 1 775.014 8.847 1 0 KKAFMP Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000165279788 562850055 /nfs/dbraw/zinc/85/00/55/562850055.db2.gz JLISBIOYOMDBSV-UHFFFAOYSA-N 3 1 735.835 5.098 1 0 KKAFMP 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+]CCNc4cc[nH+]c5ccc(Cl)cc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169297899 562852623 /nfs/dbraw/zinc/85/26/23/562852623.db2.gz ZAZHHDGOKKMOSF-NJVOLIHBSA-N 2 1 724.383 7.980 1 0 KKAFMP Clc1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccc(Cl)cc4)C2[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000169308987 562854219 /nfs/dbraw/zinc/85/42/19/562854219.db2.gz IEHODYGTQZFDPN-AOQDKHGRSA-N 2 1 533.587 8.196 1 0 KKAFMP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@H+]2C[C@H]3C[C@@]3(COC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O ZINC000169323330 562857014 /nfs/dbraw/zinc/85/70/14/562857014.db2.gz GHEXUPCRJJWFHU-FNNIOBQYSA-N 2 1 729.340 6.714 1 0 KKAFMP C[NH+](C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323980 562857247 /nfs/dbraw/zinc/85/72/47/562857247.db2.gz ZOCJVKXBNHCCQK-NDEPHWFRSA-N 2 1 629.636 7.016 1 0 KKAFMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323980 562857248 /nfs/dbraw/zinc/85/72/48/562857248.db2.gz ZOCJVKXBNHCCQK-NDEPHWFRSA-N 2 1 629.636 7.016 1 0 KKAFMP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[NH+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362791 562864270 /nfs/dbraw/zinc/86/42/70/562864270.db2.gz AHKFGBZDFCALED-BOQIVKSYSA-N 2 1 612.818 5.751 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[N@@H+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362791 562864271 /nfs/dbraw/zinc/86/42/71/562864271.db2.gz AHKFGBZDFCALED-BOQIVKSYSA-N 2 1 612.818 5.751 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[N@H+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362791 562864272 /nfs/dbraw/zinc/86/42/72/562864272.db2.gz AHKFGBZDFCALED-BOQIVKSYSA-N 2 1 612.818 5.751 1 0 KKAFMP CC[C@@H]1CCC[N@@H+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[NH+]2CCC[C@H](CC)C2)C1 ZINC000169369695 562864722 /nfs/dbraw/zinc/86/47/22/562864722.db2.gz HWBGBIQGALATDY-FIQPHFPASA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000169369695 562864723 /nfs/dbraw/zinc/86/47/23/562864723.db2.gz HWBGBIQGALATDY-FIQPHFPASA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@H](CC)C2)C1 ZINC000169369695 562864724 /nfs/dbraw/zinc/86/47/24/562864724.db2.gz HWBGBIQGALATDY-FIQPHFPASA-N 2 1 680.934 7.419 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC([C@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000203798096 562874164 /nfs/dbraw/zinc/87/41/64/562874164.db2.gz GOXWPHHXBRESDW-KRWDZBQOSA-N 2 1 508.062 6.029 1 0 KKAFMP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@H]3CC)ccc1-2 ZINC000253635700 562882252 /nfs/dbraw/zinc/88/22/52/562882252.db2.gz AJLJWJGSCGGSNQ-CLJLJLNGSA-N 2 1 544.740 6.084 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2nc(N)sc2C1 ZINC000253639404 562882527 /nfs/dbraw/zinc/88/25/27/562882527.db2.gz XRTVFETTYPHBKG-DEOSSOPVSA-N 2 1 534.836 5.213 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@H]1CCc2nc(N)sc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000253639404 562882528 /nfs/dbraw/zinc/88/25/28/562882528.db2.gz XRTVFETTYPHBKG-DEOSSOPVSA-N 2 1 534.836 5.213 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@H]1CCc2nc(N)sc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000253639404 562882529 /nfs/dbraw/zinc/88/25/29/562882529.db2.gz XRTVFETTYPHBKG-DEOSSOPVSA-N 2 1 534.836 5.213 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864794 562894178 /nfs/dbraw/zinc/89/41/78/562894178.db2.gz MVEOKWWWGIPPQA-XREYCITQSA-N 2 1 545.683 5.792 1 0 KKAFMP C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299866178 562894589 /nfs/dbraw/zinc/89/45/89/562894589.db2.gz OQCFGGOXRNFFJG-KANMSUPUSA-N 2 1 545.683 5.790 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+](C)CCO)CC4)c3c2)cc(Cl)c1O ZINC000473159155 562902659 /nfs/dbraw/zinc/90/26/59/562902659.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 2 1 538.088 5.179 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+](C)CCO)CC4)c3c2)cc(Cl)c1O ZINC000473159155 562902660 /nfs/dbraw/zinc/90/26/60/562902660.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 2 1 538.088 5.179 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000473179703 562903422 /nfs/dbraw/zinc/90/34/22/562903422.db2.gz AUULXWXMBHAERU-STZQEDGTSA-N 2 1 526.052 5.452 1 0 KKAFMP COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@@H]4CCC[N@H+]4C)c(F)c3)c2cc1OC ZINC000653864042 562916127 /nfs/dbraw/zinc/91/61/27/562916127.db2.gz KPUCSRWYMCPNNM-UNMCSNQZSA-N 2 1 592.115 6.650 1 0 KKAFMP 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 565115046 /nfs/dbraw/zinc/11/50/46/565115046.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 2 1 638.761 6.448 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000070455475 565120490 /nfs/dbraw/zinc/12/04/90/565120490.db2.gz LHIFPLJVJKKRTD-VMPREFPWSA-N 2 1 608.735 6.820 1 0 biogenic,in-vitro KKAFMP COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](C[N@@H+]3C)C4)c(OC)cc2CC[NH+]1C ZINC000095485888 565173446 /nfs/dbraw/zinc/17/34/46/565173446.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 2 1 664.843 6.775 1 0 biogenic,in-vitro KKAFMP COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](C[N@H+]3C)C4)c(OC)cc2CC[NH+]1C ZINC000095485888 565173451 /nfs/dbraw/zinc/17/34/51/565173451.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 2 1 664.843 6.775 1 0 biogenic,in-vitro KKAFMP CCN(CC)c1ccc(N2CC[NH+](C[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)[nH+]c1N(CC)CC ZINC000013651316 561723090 /nfs/dbraw/zinc/72/30/90/561723090.db2.gz XFUNZJAYNITYED-WJOKGBTCSA-N 2 1 523.766 5.311 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000017611835 561757041 /nfs/dbraw/zinc/75/70/41/561757041.db2.gz JEKDOWMTUCHNIR-IHLOFXLRSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000017611835 561757042 /nfs/dbraw/zinc/75/70/42/561757042.db2.gz JEKDOWMTUCHNIR-IHLOFXLRSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000017611835 561757043 /nfs/dbraw/zinc/75/70/43/561757043.db2.gz JEKDOWMTUCHNIR-IHLOFXLRSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCC[NH+](C)C)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026640766 561806636 /nfs/dbraw/zinc/80/66/36/561806636.db2.gz YUMSULLHKSIRDO-LFIBNONCSA-N 2 1 677.633 5.555 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675461 561813862 /nfs/dbraw/zinc/81/38/62/561813862.db2.gz RGULRCINPFBAJQ-UHFFFAOYSA-N 2 1 634.265 7.926 1 0 KKAFMP O=C(OCc1ccccc1)[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750542 561819629 /nfs/dbraw/zinc/81/96/29/561819629.db2.gz MWARYVUQVJIHTP-YXWIYCFASA-N 2 1 608.867 7.244 1 0 KKAFMP O=C(OCc1ccccc1)[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750542 561819630 /nfs/dbraw/zinc/81/96/30/561819630.db2.gz MWARYVUQVJIHTP-YXWIYCFASA-N 2 1 608.867 7.244 1 0 KKAFMP OC1(CCCc2ccc(-c3nn[nH]n3)cc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819991 /nfs/dbraw/zinc/81/99/91/561819991.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 2 1 542.772 5.312 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421262 561857678 /nfs/dbraw/zinc/85/76/78/561857678.db2.gz IMWCKHQQVPILQC-HACMPCGWSA-N 2 1 679.906 6.213 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420738 561857702 /nfs/dbraw/zinc/85/77/02/561857702.db2.gz XTJMLCAUNHFIRS-LSMVNNKTSA-N 2 1 653.868 5.777 1 0 KKAFMP COc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)Cc2ccc(OC)cc2)cc1 ZINC000027644104 561875687 /nfs/dbraw/zinc/87/56/87/561875687.db2.gz NUTZRFPWLBDYEB-UHFFFAOYSA-N 3 1 602.223 6.418 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2[nH]ccc2C1 ZINC000027651979 561876698 /nfs/dbraw/zinc/87/66/98/561876698.db2.gz PXQLXHKHOYCSAS-HHHXNRCGSA-N 2 1 501.781 5.503 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@@H]1CCc2[nH]ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027651979 561876700 /nfs/dbraw/zinc/87/67/00/561876700.db2.gz PXQLXHKHOYCSAS-HHHXNRCGSA-N 2 1 501.781 5.503 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@@H]1CCc2[nH]ccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027651979 561876701 /nfs/dbraw/zinc/87/67/01/561876701.db2.gz PXQLXHKHOYCSAS-HHHXNRCGSA-N 2 1 501.781 5.503 1 0 KKAFMP COc1cc(C[NH+](CCC[NH3+])Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000027710252 561879547 /nfs/dbraw/zinc/87/95/47/561879547.db2.gz FZEWLTOORZIPAE-UHFFFAOYSA-N 2 1 526.677 6.213 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@H+](Cc3cccc(C)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027766779 561884635 /nfs/dbraw/zinc/88/46/35/561884635.db2.gz OSRQPLFCVZMIIE-UHFFFAOYSA-N 2 1 604.761 6.894 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@@H+](Cc3cccc(C)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027766779 561884637 /nfs/dbraw/zinc/88/46/37/561884637.db2.gz OSRQPLFCVZMIIE-UHFFFAOYSA-N 2 1 604.761 6.894 1 0 KKAFMP CC[N@H+]1CCC[C@@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027859995 561887047 /nfs/dbraw/zinc/88/70/47/561887047.db2.gz CHXNCLQUSSPPEM-SSEXGKCCSA-N 2 1 540.773 7.497 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645954 561944606 /nfs/dbraw/zinc/94/46/06/561944606.db2.gz AVLVOARPRGUPQW-PGUFJCEWSA-N 2 1 545.762 7.086 1 0 KKAFMP Fc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000028646177 561944697 /nfs/dbraw/zinc/94/46/97/561944697.db2.gz KNBPAEKLDLQFCP-BHVANESWSA-N 2 1 550.766 6.483 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028645980 561944703 /nfs/dbraw/zinc/94/47/03/561944703.db2.gz BXMQVSMCTWXOEI-DHUJRADRSA-N 2 1 545.762 7.086 1 0 KKAFMP O[C@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1)c1cccc(Cl)c1 ZINC000028822338 561966867 /nfs/dbraw/zinc/96/68/67/561966867.db2.gz WVCOKTAARUVNSE-MGBGTMOVSA-N 3 1 592.615 6.223 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CC[NH+](C(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824141 561969186 /nfs/dbraw/zinc/96/91/86/561969186.db2.gz ATBBBINZHKVONK-PZWMIYICSA-N 3 1 580.261 5.541 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCN(C(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824141 561969188 /nfs/dbraw/zinc/96/91/88/561969188.db2.gz ATBBBINZHKVONK-PZWMIYICSA-N 2 1 580.261 5.541 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCN(C(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824141 561969190 /nfs/dbraw/zinc/96/91/90/561969190.db2.gz ATBBBINZHKVONK-PZWMIYICSA-N 2 1 580.261 5.541 1 0 KKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000028861771 561971716 /nfs/dbraw/zinc/97/17/16/561971716.db2.gz NUIIOTTUCXJKCG-ZPGRZCPFSA-N 4 1 540.840 6.621 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000028861771 561971719 /nfs/dbraw/zinc/97/17/19/561971719.db2.gz NUIIOTTUCXJKCG-ZPGRZCPFSA-N 3 1 540.840 6.621 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000028861771 561971720 /nfs/dbraw/zinc/97/17/20/561971720.db2.gz NUIIOTTUCXJKCG-ZPGRZCPFSA-N 3 1 540.840 6.621 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[N@@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972678 /nfs/dbraw/zinc/97/26/78/561972678.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[N@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972680 /nfs/dbraw/zinc/97/26/80/561972680.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[NH+]1CCc1ccccn1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972682 /nfs/dbraw/zinc/97/26/82/561972682.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[NH+]1CCc1ccccn1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972684 /nfs/dbraw/zinc/97/26/84/561972684.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 2 1 620.144 5.040 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864235 561973128 /nfs/dbraw/zinc/97/31/28/561973128.db2.gz LGZCPDJXYFESET-NDEPHWFRSA-N 2 1 598.738 5.424 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864235 561973129 /nfs/dbraw/zinc/97/31/29/561973129.db2.gz LGZCPDJXYFESET-NDEPHWFRSA-N 2 1 598.738 5.424 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864235 561973130 /nfs/dbraw/zinc/97/31/30/561973130.db2.gz LGZCPDJXYFESET-NDEPHWFRSA-N 2 1 598.738 5.424 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4Cl)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953960 561982746 /nfs/dbraw/zinc/98/27/46/561982746.db2.gz FLVCZSXXTUAQDL-WDYNHAJCSA-N 2 1 571.637 6.054 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000028960066 561983946 /nfs/dbraw/zinc/98/39/46/561983946.db2.gz ZNDISASWORBMME-VATRQPNGSA-N 2 1 596.260 5.186 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[N@@H+](C[C@@]34C[C@]35CC[C@H](CCC[NH+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985704 /nfs/dbraw/zinc/98/57/04/561985704.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[NH+](C[C@@]34C[C@]35CC[C@H](CCC[N@@H+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985705 /nfs/dbraw/zinc/98/57/05/561985705.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[NH+](C[C@@]34C[C@]35CC[C@H](CCC[N@H+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985707 /nfs/dbraw/zinc/98/57/07/561985707.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029130493 562002558 /nfs/dbraw/zinc/00/25/58/562002558.db2.gz MCMJKTRQPMEZMX-PZXMZKPCSA-N 2 1 651.765 5.521 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389834 562016960 /nfs/dbraw/zinc/01/69/60/562016960.db2.gz BFHQGCXVEJLAPS-XDZXDJIYSA-N 2 1 547.523 5.241 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCCC1 ZINC000029485796 562028225 /nfs/dbraw/zinc/02/82/25/562028225.db2.gz TUMDEIKQICSUFW-YDAXCOIMSA-N 2 1 652.924 6.564 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCCC1 ZINC000029485796 562028227 /nfs/dbraw/zinc/02/82/27/562028227.db2.gz TUMDEIKQICSUFW-YDAXCOIMSA-N 2 1 652.924 6.564 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545225 562029621 /nfs/dbraw/zinc/02/96/21/562029621.db2.gz LHMXAZXVFTUCSN-NCRNUEESSA-N 2 1 674.974 7.073 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccsc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351660 562059005 /nfs/dbraw/zinc/05/90/05/562059005.db2.gz UGGDWDWAVIMIDR-WJOKGBTCSA-N 2 1 568.614 7.914 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccsc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351660 562059006 /nfs/dbraw/zinc/05/90/06/562059006.db2.gz UGGDWDWAVIMIDR-WJOKGBTCSA-N 2 1 568.614 7.914 1 0 KKAFMP C[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000040409031 562075205 /nfs/dbraw/zinc/07/52/05/562075205.db2.gz DIUXCEUBKUBNAR-UHFFFAOYSA-N 2 1 523.508 5.443 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805521 562089175 /nfs/dbraw/zinc/08/91/75/562089175.db2.gz JUIDNHMRFHXGSO-BVHNMNBQSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000042805521 562089177 /nfs/dbraw/zinc/08/91/77/562089177.db2.gz JUIDNHMRFHXGSO-BVHNMNBQSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@H](CC)C2)C1 ZINC000042805521 562089178 /nfs/dbraw/zinc/08/91/78/562089178.db2.gz JUIDNHMRFHXGSO-BVHNMNBQSA-N 2 1 624.914 7.057 1 0 KKAFMP CCCC[C@H]1C[N@@H+](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040913531 562083701 /nfs/dbraw/zinc/08/37/01/562083701.db2.gz GJIANMVZCSNYHP-NDEPHWFRSA-N 2 1 539.809 5.109 1 0 KKAFMP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(O)c(Oc2ccc(C[C@@H]3c4cc(OC)c(O)cc4CC[N@H+]3C)cc2)c1 ZINC000085492198 560075231 /nfs/dbraw/zinc/07/52/31/560075231.db2.gz RAZBVKXQVFAIFI-LOYHVIPDSA-N 2 1 596.724 6.156 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(O)cc4CC[N@H+]3C)ccc2O)cc1 ZINC000085492198 560075232 /nfs/dbraw/zinc/07/52/32/560075232.db2.gz RAZBVKXQVFAIFI-LOYHVIPDSA-N 2 1 596.724 6.156 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(O)cc4CC[N@@H+]3C)ccc2O)cc1 ZINC000085492198 560075233 /nfs/dbraw/zinc/07/52/33/560075233.db2.gz RAZBVKXQVFAIFI-LOYHVIPDSA-N 2 1 596.724 6.156 1 0 biogenic,in-vitro KKAFMP COc1ccc(Cc2nn(C[C@H]3CCC[N@H+]3CCCCc3ccc(OCCC[NH+]4CCCCCC4)cc3)c(=O)c3ccccc32)cc1 ZINC000043175207 562646576 /nfs/dbraw/zinc/64/65/76/562646576.db2.gz AWKFJGDSZGEFRY-UUWRZZSWSA-N 2 1 636.881 7.128 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651222 /nfs/dbraw/zinc/65/12/22/562651222.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 2 1 526.743 5.943 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651223 /nfs/dbraw/zinc/65/12/23/562651223.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 2 1 526.743 5.943 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651224 /nfs/dbraw/zinc/65/12/24/562651224.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 2 1 526.743 5.943 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(/C=C/c4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044351599 562654785 /nfs/dbraw/zinc/65/47/85/562654785.db2.gz UHCPUYGUULWMNV-AATRIKPKSA-N 2 1 580.740 7.590 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(C=Cc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044351599 562654786 /nfs/dbraw/zinc/65/47/86/562654786.db2.gz UHCPUYGUULWMNV-AATRIKPKSA-N 2 1 580.740 7.590 1 0 KKAFMP O=C1N(CC[NH2+]C2CCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044352435 562655139 /nfs/dbraw/zinc/65/51/39/562655139.db2.gz SBLIYIIALWZVLS-UHFFFAOYSA-N 2 1 577.600 6.756 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044358520 562655314 /nfs/dbraw/zinc/65/53/14/562655314.db2.gz YFVQNYPJIZQYSQ-VBQVRTRESA-N 2 1 546.752 5.846 1 0 KKAFMP CC[N@H+](CCCCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416917 562657034 /nfs/dbraw/zinc/65/70/34/562657034.db2.gz HEFQMXPMNNIPRC-UHFFFAOYSA-N 2 1 582.214 6.380 1 0 KKAFMP CC[N@@H+](CCCCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416917 562657035 /nfs/dbraw/zinc/65/70/35/562657035.db2.gz HEFQMXPMNNIPRC-UHFFFAOYSA-N 2 1 582.214 6.380 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167585 562657995 /nfs/dbraw/zinc/65/79/95/562657995.db2.gz IKDJAOXFRNRZIU-NDEPHWFRSA-N 2 1 533.738 6.163 1 0 KKAFMP c1cncc(Oc2ccc(Nc3cc[nH+]c4cc(-c5cccc(C[NH2+]CCN6CCOCC6)c5)ccc34)cc2)c1 ZINC000045186860 562658245 /nfs/dbraw/zinc/65/82/45/562658245.db2.gz ATZFFRWWKOWAGH-UHFFFAOYSA-N 2 1 531.660 6.255 1 0 KKAFMP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)CCC3CCCC3)cc2)cc1 ZINC000045191968 562658606 /nfs/dbraw/zinc/65/86/06/562658606.db2.gz IZLHEOUPONLUBO-UHFFFAOYSA-N 2 1 532.817 6.036 1 0 KKAFMP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000045193165 562658697 /nfs/dbraw/zinc/65/86/97/562658697.db2.gz USGAJIULKJQPFG-XMHGGMMESA-N 2 1 538.780 5.779 1 0 KKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658888 /nfs/dbraw/zinc/65/88/88/562658888.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 2 1 503.691 5.557 1 0 KKAFMP Cc1cc([C@H]2CCCC[N@H+]2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045301746 562660548 /nfs/dbraw/zinc/66/05/48/562660548.db2.gz RZWZITKJKXKDSG-WJOKGBTCSA-N 2 1 535.732 6.378 1 0 KKAFMP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664293 /nfs/dbraw/zinc/66/42/93/562664293.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 2 1 516.693 6.155 1 0 KKAFMP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049605134 562665417 /nfs/dbraw/zinc/66/54/17/562665417.db2.gz ZOYNKCKROJOPRV-UHFFFAOYSA-N 3 1 568.787 5.239 1 0 KKAFMP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CNC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049605134 562665418 /nfs/dbraw/zinc/66/54/18/562665418.db2.gz ZOYNKCKROJOPRV-UHFFFAOYSA-N 2 1 568.787 5.239 1 0 KKAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCc3ccccc3Oc3ccc(C(F)(F)F)cc3)[nH+]2)cc1 ZINC000049605375 562665808 /nfs/dbraw/zinc/66/58/08/562665808.db2.gz TYCTXTVVWHYJDN-UHFFFAOYSA-N 2 1 565.600 5.065 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)c2)C(=O)c2cccs2)CC1 ZINC000049626734 562667317 /nfs/dbraw/zinc/66/73/17/562667317.db2.gz YQGAYSWBWUGKNE-UHFFFAOYSA-N 2 1 566.815 6.027 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049650105 562668004 /nfs/dbraw/zinc/66/80/04/562668004.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 2 1 730.833 8.512 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049650105 562668005 /nfs/dbraw/zinc/66/80/05/562668005.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 2 1 730.833 8.512 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049650105 562668006 /nfs/dbraw/zinc/66/80/06/562668006.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 2 1 730.833 8.512 1 0 KKAFMP CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049756502 562675070 /nfs/dbraw/zinc/67/50/70/562675070.db2.gz IBJNOMORYJAHAC-FCWKBUCQSA-N 2 1 604.883 8.129 1 0 KKAFMP CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049756502 562675071 /nfs/dbraw/zinc/67/50/71/562675071.db2.gz IBJNOMORYJAHAC-FCWKBUCQSA-N 2 1 604.883 8.129 1 0 KKAFMP CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049756502 562675072 /nfs/dbraw/zinc/67/50/72/562675072.db2.gz IBJNOMORYJAHAC-FCWKBUCQSA-N 2 1 604.883 8.129 1 0 KKAFMP Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049756619 562675167 /nfs/dbraw/zinc/67/51/67/562675167.db2.gz ZNBAGMAUOGPTIP-FWOCMLHMSA-N 2 1 562.802 6.866 1 0 KKAFMP Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049756619 562675168 /nfs/dbraw/zinc/67/51/68/562675168.db2.gz ZNBAGMAUOGPTIP-FWOCMLHMSA-N 2 1 562.802 6.866 1 0 KKAFMP Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049756619 562675169 /nfs/dbraw/zinc/67/51/69/562675169.db2.gz ZNBAGMAUOGPTIP-FWOCMLHMSA-N 2 1 562.802 6.866 1 0 KKAFMP COc1cc(C(=O)N2COC[C@](CCC[NH+]3CCC([NH+]4CCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049777550 562680208 /nfs/dbraw/zinc/68/02/08/562680208.db2.gz WJWKWKOYTXMYKM-JGCGQSQUSA-N 2 1 620.618 5.728 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049780081 562681303 /nfs/dbraw/zinc/68/13/03/562681303.db2.gz ZHNVEXZKXNWTHM-FXRCYNNESA-N 3 1 725.911 7.980 1 0 KKAFMP FC(F)(F)c1cccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780510 562681801 /nfs/dbraw/zinc/68/18/01/562681801.db2.gz FEDVYUAIZCBRJF-ITMZJIMRSA-N 3 1 723.972 7.069 1 0 KKAFMP FC(F)(F)c1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780510 562681802 /nfs/dbraw/zinc/68/18/02/562681802.db2.gz FEDVYUAIZCBRJF-ITMZJIMRSA-N 3 1 723.972 7.069 1 0 KKAFMP FC(F)(F)c1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780510 562681803 /nfs/dbraw/zinc/68/18/03/562681803.db2.gz FEDVYUAIZCBRJF-ITMZJIMRSA-N 3 1 723.972 7.069 1 0 KKAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2C[C@]4(C[C@@H]5C[C@]67CCC[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049793359 562684781 /nfs/dbraw/zinc/68/47/81/562684781.db2.gz NYMWFPKWCFFOGM-LHZGGTCYSA-N 2 1 716.923 5.174 1 0 KKAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CCC[C@H]6CC[N@@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049793359 562684782 /nfs/dbraw/zinc/68/47/82/562684782.db2.gz NYMWFPKWCFFOGM-LHZGGTCYSA-N 2 1 716.923 5.174 1 0 KKAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CCC[C@H]6CC[N@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049793359 562684783 /nfs/dbraw/zinc/68/47/83/562684783.db2.gz NYMWFPKWCFFOGM-LHZGGTCYSA-N 2 1 716.923 5.174 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[NH+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793623 562685024 /nfs/dbraw/zinc/68/50/24/562685024.db2.gz FLZIGWGEPLAQCW-DIPNUNPCSA-N 2 1 623.879 6.115 1 0 KKAFMP COc1ccc(CC[NH+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[N@H+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793623 562685025 /nfs/dbraw/zinc/68/50/25/562685025.db2.gz FLZIGWGEPLAQCW-DIPNUNPCSA-N 2 1 623.879 6.115 1 0 KKAFMP COc1ccc(CC[NH+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[N@@H+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793623 562685026 /nfs/dbraw/zinc/68/50/26/562685026.db2.gz FLZIGWGEPLAQCW-DIPNUNPCSA-N 2 1 623.879 6.115 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(OC(C)=O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049841534 562688457 /nfs/dbraw/zinc/68/84/57/562688457.db2.gz CYJAFXVWQWMEGQ-CCERQUPFSA-N 2 1 648.848 7.352 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(OC(C)=O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049841534 562688458 /nfs/dbraw/zinc/68/84/58/562688458.db2.gz CYJAFXVWQWMEGQ-CCERQUPFSA-N 2 1 648.848 7.352 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(OC(C)=O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049841534 562688459 /nfs/dbraw/zinc/68/84/59/562688459.db2.gz CYJAFXVWQWMEGQ-CCERQUPFSA-N 2 1 648.848 7.352 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@@H+](C)CC4)CC[NH+]1C ZINC000049898844 562692914 /nfs/dbraw/zinc/69/29/14/562692914.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 2 1 652.788 7.171 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC4)CC[N@H+]1C ZINC000049898844 562692915 /nfs/dbraw/zinc/69/29/15/562692915.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 2 1 652.788 7.171 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC4)CC[N@@H+]1C ZINC000049898844 562692916 /nfs/dbraw/zinc/69/29/16/562692916.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 2 1 652.788 7.171 1 0 KKAFMP [NH3+]CCc1c2cc([O-])c([C@@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902780 562693359 /nfs/dbraw/zinc/69/33/59/562693359.db2.gz CYAJKOUHPRYFRD-DHIUTWEWSA-N 2 1 650.419 6.044 1 0 KKAFMP FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)cc3)[nH]c2c1 ZINC000049917996 562694250 /nfs/dbraw/zinc/69/42/50/562694250.db2.gz WCIBIZWAOOURFA-UHFFFAOYSA-N 2 1 546.681 8.004 1 0 KKAFMP COCCc1ccc(Cl)c(C[N@H+](C[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058581939 562699891 /nfs/dbraw/zinc/69/98/91/562699891.db2.gz YBRMHQRKWICRPX-RUZDIDTESA-N 2 1 606.034 7.384 1 0 KKAFMP COCCc1ccc(Cl)c(C[N@@H+](C[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000058581939 562699892 /nfs/dbraw/zinc/69/98/92/562699892.db2.gz YBRMHQRKWICRPX-RUZDIDTESA-N 2 1 606.034 7.384 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+] ZINC000058609094 562700990 /nfs/dbraw/zinc/70/09/90/562700990.db2.gz RFAPAGLZKXSKCD-SPWOZAQASA-N 3 1 631.913 5.867 1 0 KKAFMP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(C[NH+]4CCN(C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000064394232 562704967 /nfs/dbraw/zinc/70/49/67/562704967.db2.gz MSGLJZRUHLHKNC-CUQOEXLPSA-N 2 1 598.251 6.690 1 0 KKAFMP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(C[N@H+]4CC[C@H](O)C4)c3)C[C@@H]2C1)C(C)C ZINC000064426553 562705112 /nfs/dbraw/zinc/70/51/12/562705112.db2.gz BDQHGDPMNLDROP-PTDGJBAJSA-N 2 1 585.208 6.509 1 0 KKAFMP CCCCn1c2ccccc2c2cc(C[NH2+]CCC[NH+](CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064448504 562705537 /nfs/dbraw/zinc/70/55/37/562705537.db2.gz UOMCHSRSDXKBJQ-UHFFFAOYSA-N 2 1 532.729 6.504 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074416 562709781 /nfs/dbraw/zinc/70/97/81/562709781.db2.gz HHPXXUVAVCXMQF-HKBQPEDESA-N 2 1 631.652 6.909 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074416 562709782 /nfs/dbraw/zinc/70/97/82/562709782.db2.gz HHPXXUVAVCXMQF-HKBQPEDESA-N 2 1 631.652 6.909 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074419 562709843 /nfs/dbraw/zinc/70/98/43/562709843.db2.gz BEKQWPIRNPOIER-JGCGQSQUSA-N 2 1 562.762 5.602 1 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCC[N@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000071316175 562717854 /nfs/dbraw/zinc/71/78/54/562717854.db2.gz YANGEESWIGIKOP-UMSFTDKQSA-N 2 1 641.300 7.773 1 0 KKAFMP COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4CCCC[C@@]34CC[N@H+]2C)c2c(c1O)[C@]13CCCC[C@@H]1[C@H](C2)[NH+](C)CC3 ZINC000071334255 562719513 /nfs/dbraw/zinc/71/95/13/562719513.db2.gz LOTMIRDLTGQXIY-ZPFFKMGWSA-N 2 1 572.790 6.158 1 0 KKAFMP C[NH+]1CCN(CCC[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197984 562735586 /nfs/dbraw/zinc/73/55/86/562735586.db2.gz WPYWZSXQTBXJDD-KEANYWJXSA-N 3 1 500.775 5.284 1 0 KKAFMP CN1CCN(CCC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197984 562735587 /nfs/dbraw/zinc/73/55/87/562735587.db2.gz WPYWZSXQTBXJDD-KEANYWJXSA-N 2 1 500.775 5.284 1 0 KKAFMP CN1CCN(CCC[N@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197984 562735588 /nfs/dbraw/zinc/73/55/88/562735588.db2.gz WPYWZSXQTBXJDD-KEANYWJXSA-N 2 1 500.775 5.284 1 0 KKAFMP C[NH+](C)CCCNc1nc(NCCc2ccc(Cl)cc2Cl)[nH+]c(NCCc2ccc(Cl)cc2Cl)n1 ZINC000073200554 562736184 /nfs/dbraw/zinc/73/61/84/562736184.db2.gz NFDMYZSUECLIRS-UHFFFAOYSA-N 2 1 557.357 6.158 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653369 562746840 /nfs/dbraw/zinc/74/68/40/562746840.db2.gz DVSVXYKXZWWKJP-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653369 562746841 /nfs/dbraw/zinc/74/68/41/562746841.db2.gz DVSVXYKXZWWKJP-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP CC(C)(C)c1cc(C[N@@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671288 562748544 /nfs/dbraw/zinc/74/85/44/562748544.db2.gz SZDPJIDXSCBQEQ-HHHXNRCGSA-N 2 1 590.843 9.069 1 0 KKAFMP CC(C)(C)c1cc(C[N@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671288 562748545 /nfs/dbraw/zinc/74/85/45/562748545.db2.gz SZDPJIDXSCBQEQ-HHHXNRCGSA-N 2 1 590.843 9.069 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)CCc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084738825 562751955 /nfs/dbraw/zinc/75/19/55/562751955.db2.gz BQJYGXHBKYDNDO-HTOJEEBVSA-N 2 1 687.864 5.900 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084757109 562752360 /nfs/dbraw/zinc/75/23/60/562752360.db2.gz ZFCWOHLERVDCGH-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757128 /nfs/dbraw/zinc/75/71/28/562757128.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 2 1 799.832 7.789 1 0 in-vivo KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757129 /nfs/dbraw/zinc/75/71/29/562757129.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 2 1 799.832 7.789 1 0 in-vivo KKAFMP O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757130 /nfs/dbraw/zinc/75/71/30/562757130.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 2 1 799.832 7.789 1 0 in-vivo KKAFMP CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)C[NH+](C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[N@H+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763405 /nfs/dbraw/zinc/76/34/05/562763405.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 2 1 806.017 5.107 1 0 KKAFMP CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)C[N@@H+](C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[NH+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763406 /nfs/dbraw/zinc/76/34/06/562763406.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 2 1 806.017 5.107 1 0 KKAFMP CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)C[N@H+](C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[NH+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763407 /nfs/dbraw/zinc/76/34/07/562763407.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 2 1 806.017 5.107 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577580 562771045 /nfs/dbraw/zinc/77/10/45/562771045.db2.gz SWQCJRBNEYNZAJ-RHKDRHLBSA-N 2 1 562.839 6.852 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCC[N@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577580 562771046 /nfs/dbraw/zinc/77/10/46/562771046.db2.gz SWQCJRBNEYNZAJ-RHKDRHLBSA-N 2 1 562.839 6.852 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCC[N@@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577580 562771047 /nfs/dbraw/zinc/77/10/47/562771047.db2.gz SWQCJRBNEYNZAJ-RHKDRHLBSA-N 2 1 562.839 6.852 1 0 KKAFMP CC[NH+](CC)CCOc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000095578963 562771420 /nfs/dbraw/zinc/77/14/20/562771420.db2.gz VKYASPBNOSOSCP-UHFFFAOYSA-N 2 1 646.872 9.513 1 0 KKAFMP CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(C[NH3+])c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095607595 562782887 /nfs/dbraw/zinc/78/28/87/562782887.db2.gz KJSWDFIBFZJKOY-TWNSHOTESA-N 2 1 589.800 5.486 1 0 KKAFMP O=c1cc(-c2ccccc2)oc2cc(OCCN3CC[NH+](CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285570 562795847 /nfs/dbraw/zinc/79/58/47/562795847.db2.gz OXTPOGAMUKLJIJ-UHFFFAOYSA-N 2 1 574.725 5.996 1 0 KKAFMP O=C1N(CC[NH2+]C2CC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000096901359 562797050 /nfs/dbraw/zinc/79/70/50/562797050.db2.gz PHEIVMXYEVVNHK-UHFFFAOYSA-N 2 1 549.546 5.976 1 0 KKAFMP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)nc2ccccc21 ZINC000096908891 562799489 /nfs/dbraw/zinc/79/94/89/562799489.db2.gz HJVANCDPHKFBLC-UHFFFAOYSA-N 2 1 616.166 5.227 1 0 KKAFMP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCC[NH+]1[C@@H](O)C1CCCCC1 ZINC000096926976 562802529 /nfs/dbraw/zinc/80/25/29/562802529.db2.gz RKVBMXRHLVVGSC-OOTBGRMCSA-N 2 1 628.858 6.460 1 0 KKAFMP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCC[NH+]1[C@@H](O)C1CCCCC1 ZINC000096926976 562802530 /nfs/dbraw/zinc/80/25/30/562802530.db2.gz RKVBMXRHLVVGSC-OOTBGRMCSA-N 2 1 628.858 6.460 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Br)cc1 ZINC000096939388 562804723 /nfs/dbraw/zinc/80/47/23/562804723.db2.gz NPWKFVGMLLDHKU-AREMUKBSSA-N 2 1 643.957 6.196 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Br)cc1 ZINC000096939388 562804724 /nfs/dbraw/zinc/80/47/24/562804724.db2.gz NPWKFVGMLLDHKU-AREMUKBSSA-N 2 1 643.957 6.196 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Cl)cc1 ZINC000096939390 562804738 /nfs/dbraw/zinc/80/47/38/562804738.db2.gz NKPNQEOGFCIQAF-AREMUKBSSA-N 2 1 599.506 6.087 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Cl)cc1 ZINC000096939390 562804739 /nfs/dbraw/zinc/80/47/39/562804739.db2.gz NKPNQEOGFCIQAF-AREMUKBSSA-N 2 1 599.506 6.087 1 0 KKAFMP C/C=C1\C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CC[N@@H+]6C/C(=C\C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000098085603 562805874 /nfs/dbraw/zinc/80/58/74/562805874.db2.gz DOUZLKPMUCNEOS-MQWNNBINSA-N 2 1 614.834 5.483 1 0 KKAFMP C/C=C1\C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6ccccc6[C@@]56CC[N@@H+]5C/C(=C\C)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000098085603 562805875 /nfs/dbraw/zinc/80/58/75/562805875.db2.gz DOUZLKPMUCNEOS-MQWNNBINSA-N 2 1 614.834 5.483 1 0 KKAFMP C/C=C1\C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6ccccc6[C@@]56CC[N@H+]5C/C(=C\C)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000098085603 562805876 /nfs/dbraw/zinc/80/58/76/562805876.db2.gz DOUZLKPMUCNEOS-MQWNNBINSA-N 2 1 614.834 5.483 1 0 KKAFMP CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511141 562811160 /nfs/dbraw/zinc/81/11/60/562811160.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 2 1 611.781 6.702 1 0 KKAFMP CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511141 562811161 /nfs/dbraw/zinc/81/11/61/562811161.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 2 1 611.781 6.702 1 0 KKAFMP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000101892973 562812334 /nfs/dbraw/zinc/81/23/34/562812334.db2.gz BQIVPPWUXSHORF-PZZBLJSHSA-N 2 1 610.843 5.579 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105485383 562825275 /nfs/dbraw/zinc/82/52/75/562825275.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 1 576.693 7.251 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105485383 562825276 /nfs/dbraw/zinc/82/52/76/562825276.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 1 576.693 7.251 1 0 KKAFMP CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000114036960 562827152 /nfs/dbraw/zinc/82/71/52/562827152.db2.gz DYIDCYKYUPJJTQ-UHFFFAOYSA-N 2 1 522.089 6.927 1 0 KKAFMP COc1cc2c(cc1OC)C[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000136985572 562831324 /nfs/dbraw/zinc/83/13/24/562831324.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 2 1 611.827 5.717 1 0 KKAFMP COc1cc2c(cc1OC)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000136985572 562831325 /nfs/dbraw/zinc/83/13/25/562831325.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 2 1 611.827 5.717 1 0 KKAFMP COc1cc2c(cc1OC)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000136985572 562831326 /nfs/dbraw/zinc/83/13/26/562831326.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 2 1 611.827 5.717 1 0 KKAFMP CC[C@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000144021863 562835682 /nfs/dbraw/zinc/83/56/82/562835682.db2.gz XBKHTHKBQDTZPE-OMRBPYCYSA-N 3 1 619.902 5.513 1 0 KKAFMP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@@H+](C)CC5)c(O)c1-3 ZINC000150523067 562843599 /nfs/dbraw/zinc/84/35/99/562843599.db2.gz YROMNPOPNCSEGR-LQFQNGICSA-N 2 1 758.960 6.633 1 0 KKAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@H+]8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846433 /nfs/dbraw/zinc/84/64/33/562846433.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 2 1 656.827 6.361 1 0 KKAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@@H+]8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846434 /nfs/dbraw/zinc/84/64/34/562846434.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 2 1 656.827 6.361 1 0 KKAFMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[NH+]8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846435 /nfs/dbraw/zinc/84/64/35/562846435.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 2 1 656.827 6.361 1 0 KKAFMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[NH+]8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846436 /nfs/dbraw/zinc/84/64/36/562846436.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 2 1 656.827 6.361 1 0 KKAFMP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169861 562849238 /nfs/dbraw/zinc/84/92/38/562849238.db2.gz IZCZXQSGSYYKSO-TWHRXLCVSA-N 2 1 761.944 8.423 1 0 KKAFMP CC[C@@H]1CCC[N@@H+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[NH+]2CCC[C@H](CC)C2)C1 ZINC000169291671 562851935 /nfs/dbraw/zinc/85/19/35/562851935.db2.gz JUIDNHMRFHXGSO-IVDOMESRSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000169291671 562851936 /nfs/dbraw/zinc/85/19/36/562851936.db2.gz JUIDNHMRFHXGSO-IVDOMESRSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@H](CC)C2)C1 ZINC000169291671 562851937 /nfs/dbraw/zinc/85/19/37/562851937.db2.gz JUIDNHMRFHXGSO-IVDOMESRSA-N 2 1 624.914 7.057 1 0 KKAFMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)C[NH+]4C[C@@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296754 562852463 /nfs/dbraw/zinc/85/24/63/562852463.db2.gz MSTVIUSEPJSWBX-PDZDBSMNSA-N 2 1 882.411 8.498 1 0 KKAFMP 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+]CCNc4cc[nH+]c5ccc(Cl)cc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169297901 562852613 /nfs/dbraw/zinc/85/26/13/562852613.db2.gz ZAZHHDGOKKMOSF-IAKKQPNNSA-N 2 1 724.383 7.980 1 0 KKAFMP 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+]CCCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302334 562853074 /nfs/dbraw/zinc/85/30/74/562853074.db2.gz TZWUUSPAQCAXJW-JGOGGBIOSA-N 2 1 696.373 7.799 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327046 562857972 /nfs/dbraw/zinc/85/79/72/562857972.db2.gz MOKRRZZUIXVYOM-UHFFFAOYSA-N 2 1 635.691 6.297 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327046 562857973 /nfs/dbraw/zinc/85/79/73/562857973.db2.gz MOKRRZZUIXVYOM-UHFFFAOYSA-N 2 1 635.691 6.297 1 0 KKAFMP C[N@@H+]1CCC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)C1 ZINC000299836562 562887268 /nfs/dbraw/zinc/88/72/68/562887268.db2.gz NPDBZGWDNRJYIQ-OAQYLSRUSA-N 2 1 542.647 6.610 1 0 KKAFMP C[N@H+]1CCC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)C1 ZINC000299836562 562887269 /nfs/dbraw/zinc/88/72/69/562887269.db2.gz NPDBZGWDNRJYIQ-OAQYLSRUSA-N 2 1 542.647 6.610 1 0 KKAFMP COc1cc(C[NH2+]CCCC[NH+]2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000299855804 562891750 /nfs/dbraw/zinc/89/17/50/562891750.db2.gz GLWPPAZJNWEESS-UHFFFAOYSA-N 2 1 517.714 5.032 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 562901796 /nfs/dbraw/zinc/90/17/96/562901796.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N 2 1 552.090 6.299 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 562901797 /nfs/dbraw/zinc/90/17/97/562901797.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N 2 1 552.090 6.299 1 0 KKAFMP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4cccc(-c5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)n4)cc3)nc2c1 ZINC000473160586 562902741 /nfs/dbraw/zinc/90/27/41/562902741.db2.gz YNYLBUNGEALXOI-UHFFFAOYSA-N 2 1 547.626 6.070 1 0 KKAFMP NC(=[NH2+])c1ccc2nc(-c3ccc(-c4cccc(-c5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)n4)cc3)[nH]c2c1 ZINC000473160586 562902742 /nfs/dbraw/zinc/90/27/42/562902742.db2.gz YNYLBUNGEALXOI-UHFFFAOYSA-N 2 1 547.626 6.070 1 0 KKAFMP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(OCc4cccc(COc5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)n4)cc3)nc2c1 ZINC000473160523 562902768 /nfs/dbraw/zinc/90/27/68/562902768.db2.gz YFFNKZAHSSQXEE-UHFFFAOYSA-N 2 1 607.678 5.894 1 0 KKAFMP NC(=[NH2+])c1ccc2nc(-c3ccc(OCc4cccc(COc5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)n4)cc3)[nH]c2c1 ZINC000473160523 562902769 /nfs/dbraw/zinc/90/27/69/562902769.db2.gz YFFNKZAHSSQXEE-UHFFFAOYSA-N 2 1 607.678 5.894 1 0 KKAFMP NC(=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 ZINC000473215423 562904025 /nfs/dbraw/zinc/90/40/25/562904025.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 2 1 517.762 5.618 1 0 KKAFMP NC(=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 ZINC000473215423 562904026 /nfs/dbraw/zinc/90/40/26/562904026.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 2 1 517.762 5.618 1 0 KKAFMP NC(=O)C[NH+]1CCC[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 562904027 /nfs/dbraw/zinc/90/40/27/562904027.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 2 1 517.762 5.618 1 0 KKAFMP NC(=O)C[NH+]1CCC[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 562904028 /nfs/dbraw/zinc/90/40/28/562904028.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 2 1 517.762 5.618 1 0 KKAFMP CS(=O)(=O)NCC[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 ZINC000473236395 562904643 /nfs/dbraw/zinc/90/46/43/562904643.db2.gz CNIZVMPOGMXZSM-MVQHYNIRSA-N 2 1 581.871 5.367 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236395 562904644 /nfs/dbraw/zinc/90/46/44/562904644.db2.gz CNIZVMPOGMXZSM-MVQHYNIRSA-N 2 1 581.871 5.367 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236395 562904645 /nfs/dbraw/zinc/90/46/45/562904645.db2.gz CNIZVMPOGMXZSM-MVQHYNIRSA-N 2 1 581.871 5.367 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@H]4C=C[C@@]56C[N@H+](C)CCc7ccc(OC)c(c75)O[C@H]6C4)C=C[C@@]31C[NH+](C)CC2 ZINC000653836218 562914721 /nfs/dbraw/zinc/91/47/21/562914721.db2.gz KFHVPQSLLUJBGB-RMZLRQEBSA-N 2 1 740.938 6.242 1 0 KKAFMP COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[N@@H+](C)CC5)OCO4)CC[NH+]1C ZINC000085540986 565138974 /nfs/dbraw/zinc/13/89/74/565138974.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC5)OCO4)CC[N@H+]1C ZINC000085540986 565138980 /nfs/dbraw/zinc/13/89/80/565138980.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC5)OCO4)CC[N@@H+]1C ZINC000085540986 565138984 /nfs/dbraw/zinc/13/89/84/565138984.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Cc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@H+](C)CC3)[NH+](C)CC4 ZINC000085541000 565139197 /nfs/dbraw/zinc/13/91/97/565139197.db2.gz QRERZFJPBDZLNU-AJQTZOPKSA-N 2 1 606.763 6.658 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Cc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH+](C)CC3)[N@H+](C)CC4 ZINC000085541000 565139205 /nfs/dbraw/zinc/13/92/05/565139205.db2.gz QRERZFJPBDZLNU-AJQTZOPKSA-N 2 1 606.763 6.658 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Cc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH+](C)CC3)[N@@H+](C)CC4 ZINC000085541000 565139211 /nfs/dbraw/zinc/13/92/11/565139211.db2.gz QRERZFJPBDZLNU-AJQTZOPKSA-N 2 1 606.763 6.658 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000085976996 565170990 /nfs/dbraw/zinc/17/09/90/565170990.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 2 1 652.788 7.171 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085976996 565170993 /nfs/dbraw/zinc/17/09/93/565170993.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 2 1 652.788 7.171 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085976996 565170996 /nfs/dbraw/zinc/17/09/96/565170996.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 2 1 652.788 7.171 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000095912410 565181586 /nfs/dbraw/zinc/18/15/86/565181586.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000095912410 565181587 /nfs/dbraw/zinc/18/15/87/565181587.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP 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)[nH+]c1 ZINC000085543038 291915164 /nfs/dbraw/zinc/91/51/64/291915164.db2.gz VKAYXMVZORSLRU-DPSSGIQRSA-N 2 1 589.824 7.013 1 0 biogenic,in-vitro KKAFMP O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)sc3cc(CCCC[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc32)CC1 ZINC000003916775 561685169 /nfs/dbraw/zinc/68/51/69/561685169.db2.gz QUYWOUGBIFGWJT-UHFFFAOYSA-N 2 1 668.801 6.961 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1Oc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(O)cc32)cc1 ZINC000005438297 561695939 /nfs/dbraw/zinc/69/59/39/561695939.db2.gz RNPHQDBXJJRLDE-CONSDPRKSA-N 2 1 610.751 6.420 1 0 KKAFMP C[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557232 561718879 /nfs/dbraw/zinc/71/88/79/561718879.db2.gz WLRLTOOAYKMFCQ-VXKWHMMOSA-N 2 1 516.686 5.304 1 0 KKAFMP C/C=C/CNc1nc(N2CCC([NH2+]C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc(NC/C=C/C)[nH+]1 ZINC000013650728 561722982 /nfs/dbraw/zinc/72/29/82/561722982.db2.gz QSVSOBIAHURXIU-GGWOSOGESA-N 2 1 519.644 5.474 1 0 KKAFMP OC[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819418 561732433 /nfs/dbraw/zinc/73/24/33/561732433.db2.gz RNBWEUULKWTMAR-QAXCHELISA-N 2 1 504.759 5.493 1 0 KKAFMP C[N@H+]1CCC[C@@H]1COc1cc(Nc2[nH]c3ccc(Oc4ccnc5ccccc54)cc3[nH+]2)ccc1C(F)(F)F ZINC000014965255 561749482 /nfs/dbraw/zinc/74/94/82/561749482.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 2 1 533.554 7.139 1 0 KKAFMP C[NH+]1C[C@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@@H+](C)C[C@@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000017300894 561754589 /nfs/dbraw/zinc/75/45/89/561754589.db2.gz MYEJTRVASCARKF-ZCUZWMQKSA-N 2 1 530.712 5.467 1 0 KKAFMP Cc1[nH+]ccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCC[NH3+])c2)cc1 ZINC000025962878 561762872 /nfs/dbraw/zinc/76/28/72/561762872.db2.gz YNCAROCYIGDSNF-UMSFTDKQSA-N 2 1 588.837 5.717 1 0 KKAFMP Cc1c(C)c(C)c(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c(C)c1C ZINC000026576798 561800676 /nfs/dbraw/zinc/80/06/76/561800676.db2.gz WUSCFVWMOICBNY-UHFFFAOYSA-N 2 1 572.219 5.219 1 0 KKAFMP CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943009 561828162 /nfs/dbraw/zinc/82/81/62/561828162.db2.gz MOQHJLOTQRZQSC-VENZBCCWSA-N 2 1 752.400 5.937 1 0 KKAFMP CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943009 561828164 /nfs/dbraw/zinc/82/81/64/561828164.db2.gz MOQHJLOTQRZQSC-VENZBCCWSA-N 2 1 752.400 5.937 1 0 KKAFMP O[C@H](C[NH2+]CCCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2ccccc21 ZINC000027090119 561837105 /nfs/dbraw/zinc/83/71/05/561837105.db2.gz KBMBOHPENBGFSY-LIAFXSCVSA-N 2 1 628.785 6.782 1 0 KKAFMP C[N@@H+](Cc1c(-c2ccc(NC(=O)CC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027110021 561841371 /nfs/dbraw/zinc/84/13/71/561841371.db2.gz VAXVMBRCBUMWFJ-UHFFFAOYSA-N 2 1 665.766 6.127 1 0 KKAFMP O=C(C[NH+]1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCCC[C@@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183544 561842135 /nfs/dbraw/zinc/84/21/35/561842135.db2.gz AKANNFYFILQRNV-VSGBNLITSA-N 2 1 664.986 8.433 1 0 KKAFMP C[N@@H+](Cc1c(-c2ccc(NC(=O)C[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027184537 561842341 /nfs/dbraw/zinc/84/23/41/561842341.db2.gz IGCMTWXSJAWVSM-UHFFFAOYSA-N 2 1 651.739 5.737 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(=[NH2+])NC(C)C)cc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027300293 561849006 /nfs/dbraw/zinc/84/90/06/561849006.db2.gz JOMQWLDKDNLGEC-UHFFFAOYSA-N 2 1 620.761 8.347 1 0 KKAFMP [NH2+]=C(NC1CCCC1)c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(=[NH2+])NC8CCCC8)cc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027301408 561849158 /nfs/dbraw/zinc/84/91/58/561849158.db2.gz GXGKGYYPDUFTLY-UHFFFAOYSA-N 2 1 672.837 9.415 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420729 561857734 /nfs/dbraw/zinc/85/77/34/561857734.db2.gz XTJMLCAUNHFIRS-ZYWCCJJSSA-N 2 1 653.868 5.777 1 0 KKAFMP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](C(c1ccccc1)c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027518387 561862240 /nfs/dbraw/zinc/86/22/40/561862240.db2.gz UDONPFJJAMEMDG-HKBQPEDESA-N 2 1 631.705 7.534 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](CCc4ccccc4)CCc4ccccc4)CC3)cc[nH+]c2c1 ZINC000027627890 561873360 /nfs/dbraw/zinc/87/33/60/561873360.db2.gz QBCMPIZPGANMQK-UHFFFAOYSA-N 3 1 570.225 6.485 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2nc(N)sc2C1 ZINC000027640146 561875347 /nfs/dbraw/zinc/87/53/47/561875347.db2.gz XRTVFETTYPHBKG-XMMPIXPASA-N 2 1 534.836 5.213 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@@H]1CCc2nc(N)sc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027640146 561875349 /nfs/dbraw/zinc/87/53/49/561875349.db2.gz XRTVFETTYPHBKG-XMMPIXPASA-N 2 1 534.836 5.213 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@@H]1CCc2nc(N)sc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027640146 561875350 /nfs/dbraw/zinc/87/53/50/561875350.db2.gz XRTVFETTYPHBKG-XMMPIXPASA-N 2 1 534.836 5.213 1 0 KKAFMP CSc1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000027648849 561876269 /nfs/dbraw/zinc/87/62/69/561876269.db2.gz KULCDRIDMTWPDN-UHFFFAOYSA-N 3 1 530.892 6.310 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711302 561879785 /nfs/dbraw/zinc/87/97/85/561879785.db2.gz KDJCGYBGRLMNCE-FHQDDHKZSA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711302 561879786 /nfs/dbraw/zinc/87/97/86/561879786.db2.gz KDJCGYBGRLMNCE-FHQDDHKZSA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711302 561879787 /nfs/dbraw/zinc/87/97/87/561879787.db2.gz KDJCGYBGRLMNCE-FHQDDHKZSA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP C[N@H+]1CCC[C@@H]1CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027869322 561888075 /nfs/dbraw/zinc/88/80/75/561888075.db2.gz ZNHUBSFZPDKCJT-MUUNZHRXSA-N 2 1 540.773 7.497 1 0 KKAFMP COC(=O)CCCN(c1ccc2[nH+]c(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028086728 561899216 /nfs/dbraw/zinc/89/92/16/561899216.db2.gz DCMAFNXBSDZERX-UHFFFAOYSA-N 3 1 553.711 5.051 1 0 KKAFMP Cc1cccc(NC(=O)NC[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028117622 561904119 /nfs/dbraw/zinc/90/41/19/561904119.db2.gz KIGNGGYJNXGYFO-HSZRJFAPSA-N 2 1 517.545 6.548 1 0 KKAFMP C[C@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373749 561918802 /nfs/dbraw/zinc/91/88/02/561918802.db2.gz YCTBURIPZZAXBL-HBOJKDLWSA-N 2 1 656.296 5.385 1 0 KKAFMP C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374273 561918932 /nfs/dbraw/zinc/91/89/32/561918932.db2.gz ACJLOAVPAVWLDZ-FNAHTQKTSA-N 2 1 668.257 5.463 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645923 561944657 /nfs/dbraw/zinc/94/46/57/561944657.db2.gz QZSJYHCBUZIVJV-MGBGTMOVSA-N 2 1 545.762 7.086 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645986 561944691 /nfs/dbraw/zinc/94/46/91/561944691.db2.gz MRONRUQTGKMEGH-DHUJRADRSA-N 2 1 545.762 7.086 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645990 561944823 /nfs/dbraw/zinc/94/48/23/561944823.db2.gz MRONRUQTGKMEGH-PGUFJCEWSA-N 2 1 545.762 7.086 1 0 KKAFMP COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818159 561965252 /nfs/dbraw/zinc/96/52/52/561965252.db2.gz WLVVWVWAWIFTAL-SSEXGKCCSA-N 2 1 539.642 5.882 1 0 KKAFMP O=C(c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1)c1cccc(Cl)c1 ZINC000028822335 561966842 /nfs/dbraw/zinc/96/68/42/561966842.db2.gz CJDLMAPJDWWGFV-UHFFFAOYSA-N 3 1 590.599 6.372 1 0 KKAFMP O[C@@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1)c1cccc(Cl)c1 ZINC000028822337 561966873 /nfs/dbraw/zinc/96/68/73/561966873.db2.gz WVCOKTAARUVNSE-XIFFEERXSA-N 3 1 592.615 6.223 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@@H+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864186 561972811 /nfs/dbraw/zinc/97/28/11/561972811.db2.gz NJYDXWWAPTWRLL-SANMLTNESA-N 2 1 564.721 5.022 1 0 KKAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864186 561972812 /nfs/dbraw/zinc/97/28/12/561972812.db2.gz NJYDXWWAPTWRLL-SANMLTNESA-N 2 1 564.721 5.022 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864186 561972813 /nfs/dbraw/zinc/97/28/13/561972813.db2.gz NJYDXWWAPTWRLL-SANMLTNESA-N 2 1 564.721 5.022 1 0 KKAFMP CC(C)C[N@@H+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954032 561982973 /nfs/dbraw/zinc/98/29/73/561982973.db2.gz MCKRYLUGFRPZHH-SAIUNTKASA-N 2 1 594.288 6.164 1 0 KKAFMP CC(C)C[NH+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954032 561982974 /nfs/dbraw/zinc/98/29/74/561982974.db2.gz MCKRYLUGFRPZHH-SAIUNTKASA-N 2 1 594.288 6.164 1 0 KKAFMP CC(C)C[NH+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954032 561982975 /nfs/dbraw/zinc/98/29/75/561982975.db2.gz MCKRYLUGFRPZHH-SAIUNTKASA-N 2 1 594.288 6.164 1 0 KKAFMP CC(C)C[C@H](NC(=O)C1C[NH2+]C1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960167 561983908 /nfs/dbraw/zinc/98/39/08/561983908.db2.gz JBMFMWRIVIDCKM-JBOQNHBVSA-N 2 1 648.214 5.554 1 0 KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000029130273 562002376 /nfs/dbraw/zinc/00/23/76/562002376.db2.gz WVBCGMUEKUKCNZ-HEHLMWRFSA-N 2 1 651.765 5.521 1 0 KKAFMP O=C(CCCCCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029408335 562021241 /nfs/dbraw/zinc/02/12/41/562021241.db2.gz UZUHWGICSCOJGQ-UHFFFAOYSA-N 2 1 661.722 8.072 1 0 KKAFMP [NH2+]=C(NCCCNCCC[NH2+]CCCNC(=[NH2+])NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000036113905 562047531 /nfs/dbraw/zinc/04/75/31/562047531.db2.gz JSRPCLKCSSYCHO-UHFFFAOYSA-N 3 1 632.901 5.228 1 0 KKAFMP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000036284693 562053297 /nfs/dbraw/zinc/05/32/97/562053297.db2.gz CXNCKVKDTNIURI-WKNISULPSA-N 2 1 634.240 5.311 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccc[nH]3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351686 562058972 /nfs/dbraw/zinc/05/89/72/562058972.db2.gz BCSNLJDMKOJVES-HKBQPEDESA-N 2 1 551.562 7.181 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccc[nH]3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351686 562058973 /nfs/dbraw/zinc/05/89/73/562058973.db2.gz BCSNLJDMKOJVES-HKBQPEDESA-N 2 1 551.562 7.181 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccsc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351661 562058982 /nfs/dbraw/zinc/05/89/82/562058982.db2.gz UGGDWDWAVIMIDR-HKBQPEDESA-N 2 1 568.614 7.914 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccsc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351661 562058983 /nfs/dbraw/zinc/05/89/83/562058983.db2.gz UGGDWDWAVIMIDR-HKBQPEDESA-N 2 1 568.614 7.914 1 0 KKAFMP CC(C)N(C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000038806551 562072410 /nfs/dbraw/zinc/07/24/10/562072410.db2.gz ALUBWPKFZRKPBI-KYJUHHDHSA-N 2 1 526.810 5.401 1 0 KKAFMP [NH3+]CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000040402984 562074712 /nfs/dbraw/zinc/07/47/12/562074712.db2.gz WEJSFFXHSJTDMD-UHFFFAOYSA-N 2 1 509.481 5.182 1 0 KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652376 /nfs/dbraw/zinc/65/23/76/562652376.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652377 /nfs/dbraw/zinc/65/23/77/562652377.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652378 /nfs/dbraw/zinc/65/23/78/562652378.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 2 1 580.773 5.964 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044307156 562653946 /nfs/dbraw/zinc/65/39/46/562653946.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 2 1 640.777 6.468 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1)[N@H+](C)CC2 ZINC000044307156 562653947 /nfs/dbraw/zinc/65/39/47/562653947.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 2 1 640.777 6.468 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000044307156 562653948 /nfs/dbraw/zinc/65/39/48/562653948.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 2 1 640.777 6.468 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044350680 562654296 /nfs/dbraw/zinc/65/42/96/562654296.db2.gz VEXKGRHPHLYFKT-XKYKLPQVSA-N 2 1 630.914 8.186 1 0 KKAFMP CC[NH+](CCCCCCN1CCN(CCCCCC[N@H+](CC)Cc2ccccc2OC)C(=O)C1=O)Cc1ccccc1OC ZINC000044351175 562654533 /nfs/dbraw/zinc/65/45/33/562654533.db2.gz UVLGFHNNOKFLBK-UHFFFAOYSA-N 2 1 608.868 5.839 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCC(=O)Oc2ccc4c(c2)-c2cccc5c2[C@@H](C4)[N@@H+](CCC)CC5)c1-3 ZINC000044352515 562655190 /nfs/dbraw/zinc/65/51/90/562655190.db2.gz BCYVFMPPKQJVKU-LQFQNGICSA-N 2 1 640.824 8.042 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)CCC(=O)Oc2cccc4c2-c2cccc5c2[C@@H](C4)[N@H+](CCC)CC5)cc1-3 ZINC000044352515 562655191 /nfs/dbraw/zinc/65/51/91/562655191.db2.gz BCYVFMPPKQJVKU-LQFQNGICSA-N 2 1 640.824 8.042 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)CCC(=O)Oc2cccc4c2-c2cccc5c2[C@@H](C4)[N@@H+](CCC)CC5)cc1-3 ZINC000044352515 562655192 /nfs/dbraw/zinc/65/51/92/562655192.db2.gz BCYVFMPPKQJVKU-LQFQNGICSA-N 2 1 640.824 8.042 1 0 KKAFMP CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000044360453 562655585 /nfs/dbraw/zinc/65/55/85/562655585.db2.gz UFVLATWPDKBUBF-UHFFFAOYSA-N 2 1 532.916 6.090 1 0 KKAFMP CC[N@@H+](CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000044360453 562655586 /nfs/dbraw/zinc/65/55/86/562655586.db2.gz UFVLATWPDKBUBF-UHFFFAOYSA-N 2 1 532.916 6.090 1 0 KKAFMP c1ccc(Oc2ccc(Nc3cc[nH+]c4cc(-c5cccc(C[NH2+]CCN6CCOCC6)c5)ccc34)cc2)cc1 ZINC000045191604 562658595 /nfs/dbraw/zinc/65/85/95/562658595.db2.gz CLMVRHXRRGUUOG-UHFFFAOYSA-N 2 1 530.672 6.860 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193374 562658721 /nfs/dbraw/zinc/65/87/21/562658721.db2.gz RCOGEQWOFOMWGG-PMERELPUSA-N 2 1 517.739 6.037 1 0 KKAFMP C[C@@H](Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201728 562659132 /nfs/dbraw/zinc/65/91/32/562659132.db2.gz UPJUYKHBVUUAHI-MUAVYFROSA-N 2 1 511.632 5.277 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3ccc(C[NH2+]C4CCCC4)cc3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000045202247 562659173 /nfs/dbraw/zinc/65/91/73/562659173.db2.gz NAGUVQXVZUJADP-UHFFFAOYSA-N 2 1 544.828 6.322 1 0 KKAFMP O=S(=O)(Nc1ccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228385 562659540 /nfs/dbraw/zinc/65/95/40/562659540.db2.gz WSTUJTFZZOMUPK-SSEXGKCCSA-N 2 1 517.739 6.037 1 0 KKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)CC2)cc1 ZINC000045229148 562659551 /nfs/dbraw/zinc/65/95/51/562659551.db2.gz OTTSCCZHZFKVQS-UHFFFAOYSA-N 3 1 519.689 6.126 1 0 KKAFMP COc1cc2[nH+]c(N3CCC(CCCC4CC[NH2+]CC4)CC3)nc(NCc3ccccn3)c2cc1OC ZINC000045364283 562661992 /nfs/dbraw/zinc/66/19/92/562661992.db2.gz CGDHADOUOQSJMT-UHFFFAOYSA-N 2 1 504.679 5.040 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]C4CCCC4)cc3)c2)C(=O)/C=C/c2ccccc2)CC1 ZINC000048307324 562662950 /nfs/dbraw/zinc/66/29/50/562662950.db2.gz SUAZEHVSWDRAJQ-LVZFUZTISA-N 2 1 550.791 6.065 1 0 KKAFMP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000049590026 562664841 /nfs/dbraw/zinc/66/48/41/562664841.db2.gz LHMXAZXVFTUCSN-COCZKOEFSA-N 2 1 674.974 7.073 1 0 KKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(I)c(O)c(OC)cc21 ZINC000049605435 562665865 /nfs/dbraw/zinc/66/58/65/562665865.db2.gz HDMPSEDAIUYLPS-ATTMEURXSA-N 2 1 592.518 5.245 1 0 KKAFMP O=C(NCc1ccccc1)c1nn(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049626298 562667118 /nfs/dbraw/zinc/66/71/18/562667118.db2.gz VCIVOTONEYZDPN-UHFFFAOYSA-N 2 1 540.539 5.737 1 0 KKAFMP CN(Cc1ccccc1)C(=O)c1nn(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049711259 562672008 /nfs/dbraw/zinc/67/20/08/562672008.db2.gz URELRJZGFLTICO-UHFFFAOYSA-N 2 1 554.566 6.079 1 0 KKAFMP CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762263 562676476 /nfs/dbraw/zinc/67/64/76/562676476.db2.gz ZLMAROVMABRAOI-JUIGDETFSA-N 2 1 661.935 8.231 1 0 KKAFMP CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049762263 562676477 /nfs/dbraw/zinc/67/64/77/562676477.db2.gz ZLMAROVMABRAOI-JUIGDETFSA-N 2 1 661.935 8.231 1 0 KKAFMP CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049762263 562676478 /nfs/dbraw/zinc/67/64/78/562676478.db2.gz ZLMAROVMABRAOI-JUIGDETFSA-N 2 1 661.935 8.231 1 0 KKAFMP O=C(Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1)C1CCCCC1 ZINC000049762275 562676485 /nfs/dbraw/zinc/67/64/85/562676485.db2.gz AUJPLXQLOKOQMW-BWCWJJKGSA-N 2 1 673.946 8.375 1 0 KKAFMP O=C(Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1)C1CCCCC1 ZINC000049762275 562676486 /nfs/dbraw/zinc/67/64/86/562676486.db2.gz AUJPLXQLOKOQMW-BWCWJJKGSA-N 2 1 673.946 8.375 1 0 KKAFMP O=C(Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1)C1CCCCC1 ZINC000049762275 562676487 /nfs/dbraw/zinc/67/64/87/562676487.db2.gz AUJPLXQLOKOQMW-BWCWJJKGSA-N 2 1 673.946 8.375 1 0 KKAFMP Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@H](N)Cc4ccc5ccccc5c4)c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049778159 562681003 /nfs/dbraw/zinc/68/10/03/562681003.db2.gz DLHHWZIWAALWRH-GDLZYMKVSA-N 2 1 693.899 5.537 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780762 562682156 /nfs/dbraw/zinc/68/21/56/562682156.db2.gz POQQQMBUIRUZSH-PSXMRANNSA-N 2 1 609.852 5.773 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+] ZINC000049793456 562684856 /nfs/dbraw/zinc/68/48/56/562684856.db2.gz XSVALKFJZFDBQU-YKKXUYLKSA-N 3 1 659.967 6.647 1 0 KKAFMP CC[NH+](CCCCCCn1c2ccccc2n(CCCCCC[N@H+](CC)Cc2ccccc2OC)c(=O)c1=O)Cc1ccccc1OC ZINC000049841215 562688105 /nfs/dbraw/zinc/68/81/05/562688105.db2.gz DKVWATCLAJZDGY-UHFFFAOYSA-N 2 1 656.912 7.345 1 0 KKAFMP CC[NH+](CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCCCCC[N@H+](CC)Cc1ccccc1OC)c3=O)Cc1ccccc1OC ZINC000049898735 562692787 /nfs/dbraw/zinc/69/27/87/562692787.db2.gz ZVPMATGRPXLGBJ-UHFFFAOYSA-N 2 1 710.916 6.095 1 0 KKAFMP [NH3+]CCc1c2c(ccc([O-])c2[C@@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899644 562693329 /nfs/dbraw/zinc/69/33/29/562693329.db2.gz KJQYELPBSPDCOH-LEWJYISDSA-N 2 1 650.419 6.044 1 0 KKAFMP Oc1ccc(CCNc2nc(N3CCC[NH2+]CC3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)cc1 ZINC000049908063 562693450 /nfs/dbraw/zinc/69/34/50/562693450.db2.gz JZPBAGTYHZUXNI-UHFFFAOYSA-N 2 1 563.628 5.329 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)c2cc(F)cc(F)c2)CC1 ZINC000049917518 562693502 /nfs/dbraw/zinc/69/35/02/562693502.db2.gz GGPVPOJNVVFVIE-UHFFFAOYSA-N 2 1 589.756 5.658 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917770 562693912 /nfs/dbraw/zinc/69/39/12/562693912.db2.gz OMUHZIONTWVASY-UHFFFAOYSA-N 2 1 610.843 6.309 1 0 KKAFMP C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000049917860 562694009 /nfs/dbraw/zinc/69/40/09/562694009.db2.gz GRBGQMNUHSAYID-OYRHEFFESA-N 2 1 577.655 5.716 1 0 KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698185 /nfs/dbraw/zinc/69/81/85/562698185.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 2 1 564.774 6.259 1 0 in-vivo KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698186 /nfs/dbraw/zinc/69/81/86/562698186.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 2 1 564.774 6.259 1 0 in-vivo KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ncccc2C1 ZINC000058519652 562698469 /nfs/dbraw/zinc/69/84/69/562698469.db2.gz ICSKSUDWIFZFHG-NDEPHWFRSA-N 2 1 513.792 5.570 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@H]1CCc2ncccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058519652 562698470 /nfs/dbraw/zinc/69/84/70/562698470.db2.gz ICSKSUDWIFZFHG-NDEPHWFRSA-N 2 1 513.792 5.570 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@H]1CCc2ncccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000058519652 562698471 /nfs/dbraw/zinc/69/84/71/562698471.db2.gz ICSKSUDWIFZFHG-NDEPHWFRSA-N 2 1 513.792 5.570 1 0 KKAFMP CC[NH+](CC)CCC[NH2+]Cc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447263 562705362 /nfs/dbraw/zinc/70/53/62/562705362.db2.gz WBJZGDYUGIRKKP-UHFFFAOYSA-N 2 1 594.800 7.337 1 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000064586116 562708786 /nfs/dbraw/zinc/70/87/86/562708786.db2.gz IVHAEOHIIYNCPQ-SYQUUIDJSA-N 3 1 640.748 6.378 3 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148484 562713612 /nfs/dbraw/zinc/71/36/12/562713612.db2.gz HLJVKFVYBQDSAX-ISVKHVEWSA-N 3 1 592.704 5.647 3 0 KKAFMP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH+](C)CCC[N@H+](C)C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333992 562719517 /nfs/dbraw/zinc/71/95/17/562719517.db2.gz DUVCBEMHQGRCPF-TUXGATLDSA-N 2 1 578.835 5.167 1 0 KKAFMP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000072129328 562726448 /nfs/dbraw/zinc/72/64/48/562726448.db2.gz HLKCUDXXFULFRD-MVIDNBQJSA-N 2 1 654.891 6.200 1 0 KKAFMP C[N@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)[nH+]c(NCCc2ccc(Cl)cc2)n1 ZINC000073198355 562735666 /nfs/dbraw/zinc/73/56/66/562735666.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 2 1 514.505 5.384 1 0 KKAFMP C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)[nH+]c(NCc2ccc(Cl)cc2Cl)n1 ZINC000073200518 562736163 /nfs/dbraw/zinc/73/61/63/562736163.db2.gz SRSGYLCJGXDIJZ-UHFFFAOYSA-N 2 1 529.303 6.073 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000073369117 562738347 /nfs/dbraw/zinc/73/83/47/562738347.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3 ZINC000073369117 562738348 /nfs/dbraw/zinc/73/83/48/562738348.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3 ZINC000073369117 562738349 /nfs/dbraw/zinc/73/83/49/562738349.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 2 1 606.719 6.874 1 0 KKAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1ccc(C[NH2+]CCc3c(Cl)cccc3Cl)cc1)ccc2O ZINC000082155554 562740574 /nfs/dbraw/zinc/74/05/74/562740574.db2.gz VXWRTVFVCMMICW-UHFFFAOYSA-N 2 1 516.494 5.309 1 0 KKAFMP c1ccc(C(N[C@H]2CCCC[C@H]2[NH2+]CCN[C@H]2CCCC[C@H]2[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186085 562742416 /nfs/dbraw/zinc/74/24/16/562742416.db2.gz INMAEUFTSXWEFD-MRYQMSSLSA-N 2 1 739.064 9.951 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2cccnc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653368 562746817 /nfs/dbraw/zinc/74/68/17/562746817.db2.gz UTUGYXULTQVXHB-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670674 562748360 /nfs/dbraw/zinc/74/83/60/562748360.db2.gz ZCPUOMYHGVBIQD-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCNc4cc[nH+]c5cc(Cl)ccc45)cc3)s2)cc1 ZINC000084710369 562750492 /nfs/dbraw/zinc/75/04/92/562750492.db2.gz PNSWLESSSAWXHT-UHFFFAOYSA-N 3 1 731.797 10.669 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2ccncc2)cc1)c1cccc2ccccc21 ZINC000084722519 562750999 /nfs/dbraw/zinc/75/09/99/562750999.db2.gz SCMATUJWEBPXBQ-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)CCc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084758232 562752567 /nfs/dbraw/zinc/75/25/67/562752567.db2.gz YGROTYBAAMMXHU-HTOJEEBVSA-N 2 1 687.864 5.900 1 0 KKAFMP CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758699 562752706 /nfs/dbraw/zinc/75/27/06/562752706.db2.gz WKRONHOUGWHKTJ-MUUNZHRXSA-N 2 1 574.844 9.364 1 0 KKAFMP CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758698 562752729 /nfs/dbraw/zinc/75/27/29/562752729.db2.gz WKRONHOUGWHKTJ-NDEPHWFRSA-N 2 1 574.844 9.364 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095575633 562770361 /nfs/dbraw/zinc/77/03/61/562770361.db2.gz BQDAZAMCOASTTO-UHFFFAOYSA-N 2 1 557.764 6.789 1 0 KKAFMP CC[NH+](CC)Cc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000095576234 562770571 /nfs/dbraw/zinc/77/05/71/562770571.db2.gz SEZGYMIBCAGZIQ-UHFFFAOYSA-N 2 1 616.846 9.634 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095577386 562770951 /nfs/dbraw/zinc/77/09/51/562770951.db2.gz GULDRVQQCVWSCP-UHFFFAOYSA-N 2 1 513.711 6.390 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095578418 562771257 /nfs/dbraw/zinc/77/12/57/562771257.db2.gz AUOUXNQPFCJKKJ-UHFFFAOYSA-N 2 1 562.183 7.433 1 0 KKAFMP CCC1=CC2C[N@@H+](C1)CCc1c3cccc(Cl)c3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[NH+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579185 562771457 /nfs/dbraw/zinc/77/14/57/562771457.db2.gz YVYYDMHCJJMRPF-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP CCC1=CC2C[NH+](C1)CCc1c3cccc(Cl)c3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[N@@H+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579185 562771458 /nfs/dbraw/zinc/77/14/58/562771458.db2.gz YVYYDMHCJJMRPF-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP CCC1=CC2C[NH+](C1)CCc1c3cccc(Cl)c3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[N@H+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579185 562771459 /nfs/dbraw/zinc/77/14/59/562771459.db2.gz YVYYDMHCJJMRPF-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP CC[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095580679 562771885 /nfs/dbraw/zinc/77/18/85/562771885.db2.gz IUDDYFCOEGNNOK-UHFFFAOYSA-N 2 1 543.737 6.398 1 0 KKAFMP COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000096887222 562796638 /nfs/dbraw/zinc/79/66/38/562796638.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000096887222 562796639 /nfs/dbraw/zinc/79/66/39/562796639.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000096887222 562796640 /nfs/dbraw/zinc/79/66/40/562796640.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096901510 562797097 /nfs/dbraw/zinc/79/70/97/562797097.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 2 1 791.739 9.136 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096901510 562797098 /nfs/dbraw/zinc/79/70/98/562797098.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 2 1 791.739 9.136 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCC[NH+]2CCCCC2)c1=O ZINC000101744340 562812095 /nfs/dbraw/zinc/81/20/95/562812095.db2.gz XFAWYNQIDKEGLG-PKQPGRETSA-N 2 1 534.789 6.134 1 0 KKAFMP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000103245932 562819816 /nfs/dbraw/zinc/81/98/16/562819816.db2.gz AJDGDNYRKCASLC-SSEXGKCCSA-N 2 1 542.526 6.570 1 0 KKAFMP C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251429 562820346 /nfs/dbraw/zinc/82/03/46/562820346.db2.gz QOTCHMKXGNFDLI-UHFFFAOYSA-N 2 1 500.650 5.955 1 0 KKAFMP CCN(C(=O)c1ccc(CNc2nc(NCC[NH+](C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)[nH+]2)cc1)c1cccc(C)c1 ZINC000140404247 562833058 /nfs/dbraw/zinc/83/30/58/562833058.db2.gz UEYOQAFAZYHFFH-UHFFFAOYSA-N 2 1 624.790 5.012 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1ccccn1 ZINC000150351834 562843236 /nfs/dbraw/zinc/84/32/36/562843236.db2.gz DEQWYFQOFSBLFO-BNMQLMAQSA-N 2 1 678.918 8.086 1 0 KKAFMP 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)[C@@H]([NH3+])Cc1ccccc1 ZINC000195508486 562872054 /nfs/dbraw/zinc/87/20/54/562872054.db2.gz FUMCCVPXFNXOKW-ILAQREBVSA-N 2 1 627.826 5.752 1 0 KKAFMP c1ccc2[nH+]c(Nc3ccc(Oc4ncccc4-c4ccnc(N[C@H]5CCC[NH2+]C5)n4)c4ccccc34)[nH]c2c1 ZINC000299823462 562882885 /nfs/dbraw/zinc/88/28/85/562882885.db2.gz DSBYFQXQZZQAFZ-FQEVSTJZSA-N 2 1 528.620 6.268 1 0 KKAFMP O[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000299850688 562890646 /nfs/dbraw/zinc/89/06/46/562890646.db2.gz XISVXJWNLOWHCO-FZNHDDJXSA-N 2 1 560.782 6.160 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864793 562894219 /nfs/dbraw/zinc/89/42/19/562894219.db2.gz MVEOKWWWGIPPQA-TUHHXPBESA-N 2 1 545.683 5.792 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299870691 562895507 /nfs/dbraw/zinc/89/55/07/562895507.db2.gz WSGCGGATBVZWKD-ZEWDBUAUSA-N 2 1 571.721 6.326 1 0 KKAFMP FC1(F)C[NH+]=C2C=CN(CCCCCN3C=CC(=[NH+]CC(F)(F)C1(F)F)c1ccccc13)c1ccccc12 ZINC000377845834 562896378 /nfs/dbraw/zinc/89/63/78/562896378.db2.gz GDHTVEYSDDTIPX-UHFFFAOYSA-N 2 1 532.532 6.722 1 0 KKAFMP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848915 562896475 /nfs/dbraw/zinc/89/64/75/562896475.db2.gz DZWPBDAZEKMKKS-UHFFFAOYSA-O 2 1 518.645 5.361 1 0 KKAFMP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848905 562896482 /nfs/dbraw/zinc/89/64/82/562896482.db2.gz ATJUTXJKMYUQMD-UHFFFAOYSA-O 2 1 546.699 6.142 1 0 KKAFMP COCC(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473081299 562896630 /nfs/dbraw/zinc/89/66/30/562896630.db2.gz CAFYOFMRFOIFOW-IGYGKHONSA-N 2 1 523.693 6.006 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473152106 562901713 /nfs/dbraw/zinc/90/17/13/562901713.db2.gz BLEZDXMREFRRMW-UILWBTOOSA-N 2 1 534.100 6.351 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473165289 562902920 /nfs/dbraw/zinc/90/29/20/562902920.db2.gz WDSWVYBSKVZAEY-XYWHTSSQSA-N 2 1 508.062 5.960 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000473165342 562902958 /nfs/dbraw/zinc/90/29/58/562902958.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 2 1 528.480 5.576 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000473165342 562902959 /nfs/dbraw/zinc/90/29/59/562902959.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 2 1 528.480 5.576 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179744 562903491 /nfs/dbraw/zinc/90/34/91/562903491.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 2 1 538.088 5.321 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179744 562903492 /nfs/dbraw/zinc/90/34/92/562903492.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 2 1 538.088 5.321 1 0 KKAFMP CS(=O)(=O)NCC[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 ZINC000473215532 562904090 /nfs/dbraw/zinc/90/40/90/562904090.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 2 1 581.871 5.509 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CCC[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 ZINC000473215532 562904091 /nfs/dbraw/zinc/90/40/91/562904091.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 2 1 581.871 5.509 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CCC[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 ZINC000473215532 562904092 /nfs/dbraw/zinc/90/40/92/562904092.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 2 1 581.871 5.509 1 0 KKAFMP O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CC1CCC1)CC3 ZINC000003960064 561691058 /nfs/dbraw/zinc/69/10/58/561691058.db2.gz AJIAOWVCYKDFGH-KBJNHENKSA-N 2 1 702.980 8.471 1 0 KKAFMP OC[C@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819420 561732452 /nfs/dbraw/zinc/73/24/52/561732452.db2.gz RNBWEUULKWTMAR-DCMFLLSESA-N 2 1 504.759 5.493 1 0 KKAFMP CN1C[C@@H](c2ccccc2)[NH+](CCCC[N@H+]2C[C@@H](c3ccccc3)N(C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758869 /nfs/dbraw/zinc/75/88/69/561758869.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 1 558.814 7.227 1 0 KKAFMP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)sc(=O)n3CC[NH+]2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026577112 561800980 /nfs/dbraw/zinc/80/09/80/561800980.db2.gz WOHUDPBPWKPSAX-UHFFFAOYSA-N 2 1 708.919 8.093 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674919 561813793 /nfs/dbraw/zinc/81/37/93/561813793.db2.gz QTQUJTULPNBWLD-UHFFFAOYSA-N 2 1 606.211 7.146 1 0 KKAFMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744196 561818548 /nfs/dbraw/zinc/81/85/48/561818548.db2.gz XNZBQOHYFIVFRF-AQOUDTPCSA-N 2 1 566.790 5.428 1 0 KKAFMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744196 561818549 /nfs/dbraw/zinc/81/85/49/561818549.db2.gz XNZBQOHYFIVFRF-AQOUDTPCSA-N 2 1 566.790 5.428 1 0 KKAFMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744196 561818550 /nfs/dbraw/zinc/81/85/50/561818550.db2.gz XNZBQOHYFIVFRF-AQOUDTPCSA-N 2 1 566.790 5.428 1 0 KKAFMP c1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCCC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000027711336 561879789 /nfs/dbraw/zinc/87/97/89/561879789.db2.gz LMKHAPGKVHDDCW-UHFFFAOYSA-N 2 1 615.907 7.238 1 0 KKAFMP c1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCCC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000027711336 561879790 /nfs/dbraw/zinc/87/97/90/561879790.db2.gz LMKHAPGKVHDDCW-UHFFFAOYSA-N 2 1 615.907 7.238 1 0 KKAFMP CC[N@H+]1CCC[C@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027860001 561887032 /nfs/dbraw/zinc/88/70/32/561887032.db2.gz CHXNCLQUSSPPEM-PMERELPUSA-N 2 1 540.773 7.497 1 0 KKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862893 561887313 /nfs/dbraw/zinc/88/73/13/561887313.db2.gz OYNBFGLADDUAJB-UHFFFAOYSA-N 2 1 514.368 8.057 1 0 KKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862893 561887314 /nfs/dbraw/zinc/88/73/14/561887314.db2.gz OYNBFGLADDUAJB-UHFFFAOYSA-N 2 1 514.368 8.057 1 0 KKAFMP C[N@H+]1CCC[C@H]1CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027869331 561888061 /nfs/dbraw/zinc/88/80/61/561888061.db2.gz ZNHUBSFZPDKCJT-NDEPHWFRSA-N 2 1 540.773 7.497 1 0 KKAFMP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[N@H+]3CCC[C@@H]3CO)cc2)ccc1C[NH+]1CCCC1 ZINC000027879165 561888893 /nfs/dbraw/zinc/88/88/93/561888893.db2.gz GHEMVOFVZQDLMK-HHHXNRCGSA-N 2 1 572.771 6.305 1 0 KKAFMP Cc1sc2cc(Cl)cc(Cl)c2c1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000028109727 561902907 /nfs/dbraw/zinc/90/29/07/561902907.db2.gz COIOGAJPPKWJFQ-UHFFFAOYSA-N 2 1 507.468 5.275 1 0 KKAFMP COc1cccc(NC(=O)NC[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028115762 561903772 /nfs/dbraw/zinc/90/37/72/561903772.db2.gz AUAOCEZREQZZSP-JOCHJYFZSA-N 2 1 533.544 6.248 1 0 KKAFMP C[C@@H]([NH2+]C1CCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373477 561918734 /nfs/dbraw/zinc/91/87/34/561918734.db2.gz JNWGDHXQXYFGAM-PBHCEWPQSA-N 2 1 614.234 5.024 1 0 KKAFMP O=C(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028375735 561919245 /nfs/dbraw/zinc/91/92/45/561919245.db2.gz BGIMAXGIMFDFBM-UHFFFAOYSA-N 2 1 699.239 8.393 1 0 KKAFMP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523155 561929989 /nfs/dbraw/zinc/92/99/89/561929989.db2.gz JPBICZJGLXJNKG-RRPNLBNLSA-N 3 1 608.274 8.937 1 0 KKAFMP CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@H+](C)CCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523155 561929990 /nfs/dbraw/zinc/92/99/90/561929990.db2.gz JPBICZJGLXJNKG-RRPNLBNLSA-N 2 1 608.274 8.937 1 0 KKAFMP CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523155 561929991 /nfs/dbraw/zinc/92/99/91/561929991.db2.gz JPBICZJGLXJNKG-RRPNLBNLSA-N 2 1 608.274 8.937 1 0 KKAFMP CCC[NH+](CCC)[C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1 ZINC000028528327 561932916 /nfs/dbraw/zinc/93/29/16/561932916.db2.gz KHNUKPJNDHSXDI-ICMREOOQSA-N 2 1 656.315 5.410 1 0 KKAFMP COc1cc2c(cc1OC)C[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000028571205 561939220 /nfs/dbraw/zinc/93/92/20/561939220.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 2 1 611.827 5.717 1 0 KKAFMP COc1cc2c(cc1OC)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000028571205 561939222 /nfs/dbraw/zinc/93/92/22/561939222.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 2 1 611.827 5.717 1 0 KKAFMP COc1cc2c(cc1OC)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000028571205 561939224 /nfs/dbraw/zinc/93/92/24/561939224.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 2 1 611.827 5.717 1 0 KKAFMP CC1CC[NH+]([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028571799 561939560 /nfs/dbraw/zinc/93/95/60/561939560.db2.gz FLJLGJKLCGQKKZ-RRPNLBNLSA-N 2 1 506.090 6.101 1 0 KKAFMP Oc1cc(Nc2cc[nH+]c3cc(-c4cccc(C[NH2+]CCN5CCOCC5)c4)ccc23)c(F)cc1Cl ZINC000028823951 561968710 /nfs/dbraw/zinc/96/87/10/561968710.db2.gz KWEPTXFPNVUYJW-UHFFFAOYSA-N 2 1 507.009 5.565 1 0 KKAFMP C[C@@H]([NH2+]CCCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824127 561968985 /nfs/dbraw/zinc/96/89/85/561968985.db2.gz NHPJKBQBCRAMLO-OAQYLSRUSA-N 2 1 520.077 5.847 1 0 KKAFMP CC(C)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3c(F)cccc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824177 561969137 /nfs/dbraw/zinc/96/91/37/561969137.db2.gz AAQQSWWMBVNKIB-WEWMWRJBSA-N 2 1 515.117 5.155 1 0 KKAFMP FC(F)(F)c1ccc(OC[C@H]2CCC[N@H+]2CCCCCCCCCCCCCCCC[NH+]2CCC[C@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865222 561973371 /nfs/dbraw/zinc/97/33/71/561973371.db2.gz INRWUGJSBXSJNL-TYHGNQNSSA-N 2 1 712.904 11.572 1 0 KKAFMP FC(F)(F)c1ccc(OC[C@H]2CCC[NH+]2CCCCCCCCCCCCCCCC[N@@H+]2CCC[C@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865222 561973372 /nfs/dbraw/zinc/97/33/72/561973372.db2.gz INRWUGJSBXSJNL-TYHGNQNSSA-N 2 1 712.904 11.572 1 0 KKAFMP FC(F)(F)c1ccc(OC[C@H]2CCC[NH+]2CCCCCCCCCCCCCCCC[N@H+]2CCC[C@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865222 561973373 /nfs/dbraw/zinc/97/33/73/561973373.db2.gz INRWUGJSBXSJNL-TYHGNQNSSA-N 2 1 712.904 11.572 1 0 KKAFMP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC[N@@H+](C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874813 561975257 /nfs/dbraw/zinc/97/52/57/561975257.db2.gz XVXQCAYRXMTFHP-UUWRZZSWSA-N 2 1 584.805 6.383 1 0 KKAFMP COC[C@H](C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953886 561982579 /nfs/dbraw/zinc/98/25/79/561982579.db2.gz NTSVKAKPSQAZRL-XGNZJKERSA-N 2 1 567.218 5.027 1 0 KKAFMP CSc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953997 561982751 /nfs/dbraw/zinc/98/27/51/561982751.db2.gz DQOPVQXAYWXMOM-JSOSNVBQSA-N 2 1 583.286 6.123 1 0 KKAFMP CC(C)Oc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953999 561982883 /nfs/dbraw/zinc/98/28/83/561982883.db2.gz VTDVEUXJCSBBRN-SAIUNTKASA-N 2 1 595.272 6.188 1 0 KKAFMP CC(C)C[C@H](NC(=O)[C@@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960138 561983948 /nfs/dbraw/zinc/98/39/48/561983948.db2.gz UDTYAJUDWQPEAI-URENDEMCSA-N 2 1 636.203 5.682 1 0 KKAFMP Oc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000028970211 561985786 /nfs/dbraw/zinc/98/57/86/561985786.db2.gz CANRNZBVKKQKEQ-ZLBQZKQXSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP Oc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000028970211 561985787 /nfs/dbraw/zinc/98/57/87/561985787.db2.gz CANRNZBVKKQKEQ-ZLBQZKQXSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP Oc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000028970211 561985789 /nfs/dbraw/zinc/98/57/89/561985789.db2.gz CANRNZBVKKQKEQ-ZLBQZKQXSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055834 561995037 /nfs/dbraw/zinc/99/50/37/561995037.db2.gz YBOHCXLIWATJCJ-KKLWWLSJSA-N 2 1 520.802 7.626 1 0 in-vivo KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@@H](O)CCC[N@@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042063 561991322 /nfs/dbraw/zinc/99/13/22/561991322.db2.gz FWKMZPGKUSOYOX-VBUCXWSESA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@H+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@@H](O)CCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042063 561991323 /nfs/dbraw/zinc/99/13/23/561991323.db2.gz FWKMZPGKUSOYOX-VBUCXWSESA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@@H](O)CCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042063 561991324 /nfs/dbraw/zinc/99/13/24/561991324.db2.gz FWKMZPGKUSOYOX-VBUCXWSESA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc([C@H]4C[C@@]5(O)CCCCCCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000029042118 561991365 /nfs/dbraw/zinc/99/13/65/561991365.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 2 1 570.822 7.100 1 0 KKAFMP Oc1cccc2c3ccnc([C@H]4C[C@@]5(O)CCCCCCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000029042118 561991366 /nfs/dbraw/zinc/99/13/66/561991366.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 2 1 570.822 7.100 1 0 KKAFMP Oc1cccc2c3ccnc([C@H]4C[C@@]5(O)CCCCCCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000029042118 561991367 /nfs/dbraw/zinc/99/13/67/561991367.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 2 1 570.822 7.100 1 0 KKAFMP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548649 562030494 /nfs/dbraw/zinc/03/04/94/562030494.db2.gz YCGNDFOYUIBXSD-AQOUDTPCSA-N 2 1 622.810 5.488 1 0 KKAFMP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548649 562030495 /nfs/dbraw/zinc/03/04/95/562030495.db2.gz YCGNDFOYUIBXSD-AQOUDTPCSA-N 2 1 622.810 5.488 1 0 KKAFMP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548649 562030497 /nfs/dbraw/zinc/03/04/97/562030497.db2.gz YCGNDFOYUIBXSD-AQOUDTPCSA-N 2 1 622.810 5.488 1 0 KKAFMP c1ccc(C[NH+]2CCC(Nc3ccc4[nH]nc(-c5nc6ccc(N7CCC([NH+]8CCCCC8)CC7)cc6[nH]5)c4c3)CC2)cc1 ZINC000036241952 562052109 /nfs/dbraw/zinc/05/21/09/562052109.db2.gz GGFQIKFJFWLNNJ-UHFFFAOYSA-N 2 1 588.804 6.637 1 0 KKAFMP COc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351638 562058865 /nfs/dbraw/zinc/05/88/65/562058865.db2.gz HAMYAGGBQVFQLR-UUWRZZSWSA-N 2 1 592.611 7.862 1 0 KKAFMP COc1cccc(-c2ccc3c(c2)CC[N@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351638 562058867 /nfs/dbraw/zinc/05/88/67/562058867.db2.gz HAMYAGGBQVFQLR-UUWRZZSWSA-N 2 1 592.611 7.862 1 0 KKAFMP Clc1ccc2c(NCC[NH+](CCC34CC5CC(CC(C5)C3)C4)CCC34CC5CC(CC(C5)C3)C4)cc[nH+]c2c1 ZINC000040896544 562083160 /nfs/dbraw/zinc/08/31/60/562083160.db2.gz HTEIRCBSYMXEQY-UHFFFAOYSA-N 2 1 546.243 8.815 1 0 KKAFMP Cc1[nH+]ccn1C[C@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070415 562645525 /nfs/dbraw/zinc/64/55/25/562645525.db2.gz DSZJLBHBEBATRS-LJAQVGFWSA-N 2 1 549.641 6.161 1 0 KKAFMP CCC(CC)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(CC)CC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000043075596 562645698 /nfs/dbraw/zinc/64/56/98/562645698.db2.gz DMYIZWPSGZUWES-UHFFFAOYSA-N 2 1 626.809 8.773 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044305114 562653345 /nfs/dbraw/zinc/65/33/45/562653345.db2.gz JHJIOXPTSJDSGT-UHFFFAOYSA-N 2 1 570.701 7.212 1 0 KKAFMP CC[NH+](CCCCCCN1CC(=O)N(CCCCCC[N@H+](CC)Cc2ccccc2OC)CC1=O)Cc1ccccc1OC ZINC000044351373 562654644 /nfs/dbraw/zinc/65/46/44/562654644.db2.gz RCSRPMHQFUUQRZ-UHFFFAOYSA-N 2 1 608.868 5.839 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Cc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044361815 562655736 /nfs/dbraw/zinc/65/57/36/562655736.db2.gz PEMCAEYVRGVBKW-UHFFFAOYSA-N 2 1 568.729 7.011 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]C4CCCC4)c3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000045189706 562658387 /nfs/dbraw/zinc/65/83/87/562658387.db2.gz ZDKUMBSHEYCYNY-UHFFFAOYSA-N 2 1 539.768 6.057 1 0 KKAFMP O=C(Nc1ccccc1)c1nn(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000045202494 562659176 /nfs/dbraw/zinc/65/91/76/562659176.db2.gz VSRHIQIUEDARDV-UHFFFAOYSA-N 2 1 526.512 6.060 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045228309 562659462 /nfs/dbraw/zinc/65/94/62/562659462.db2.gz VITISJVAGJJRJO-UHFFFAOYSA-N 2 1 503.712 5.647 1 0 KKAFMP FC(F)(F)c1ccc2nc(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)[nH]c2c1 ZINC000045302062 562660583 /nfs/dbraw/zinc/66/05/83/562660583.db2.gz KEQYBWOKYPSZAY-UHFFFAOYSA-N 2 1 513.567 6.633 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N(C)CCC[NH+](C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694427 562669329 /nfs/dbraw/zinc/66/93/29/562669329.db2.gz NCHIURPMMQKWET-UHFFFAOYSA-N 3 1 579.793 5.789 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049723288 562673161 /nfs/dbraw/zinc/67/31/61/562673161.db2.gz KUHXGIGQCFVKDX-UHFFFAOYSA-N 2 1 605.783 6.044 1 0 KKAFMP FC(F)(F)c1cccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780511 562681825 /nfs/dbraw/zinc/68/18/25/562681825.db2.gz FEDVYUAIZCBRJF-XQGRUXGKSA-N 3 1 723.972 7.069 1 0 KKAFMP FC(F)(F)c1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780511 562681826 /nfs/dbraw/zinc/68/18/26/562681826.db2.gz FEDVYUAIZCBRJF-XQGRUXGKSA-N 3 1 723.972 7.069 1 0 KKAFMP FC(F)(F)c1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780511 562681827 /nfs/dbraw/zinc/68/18/27/562681827.db2.gz FEDVYUAIZCBRJF-XQGRUXGKSA-N 3 1 723.972 7.069 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3sc(-c4nc5ccc(C(=[NH2+])NC(C)C)cc5[nH]4)c4c3OCCO4)nc2c1 ZINC000049867388 562689431 /nfs/dbraw/zinc/68/94/31/562689431.db2.gz LEOXCVJAEHZZIJ-UHFFFAOYSA-N 2 1 542.669 5.253 1 0 KKAFMP [NH3+]CCc1c2c(ccc([O-])c2[C@@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899642 562693318 /nfs/dbraw/zinc/69/33/18/562693318.db2.gz KJQYELPBSPDCOH-SFTDATJTSA-N 2 1 650.419 6.044 1 0 KKAFMP C[N@@H+]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000049908051 562693416 /nfs/dbraw/zinc/69/34/16/562693416.db2.gz OQOYDQAKBGFPGJ-UHFFFAOYSA-N 2 1 568.183 6.093 1 0 KKAFMP C[N@H+]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000049908051 562693417 /nfs/dbraw/zinc/69/34/17/562693417.db2.gz OQOYDQAKBGFPGJ-UHFFFAOYSA-N 2 1 568.183 6.093 1 0 KKAFMP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917880 562694081 /nfs/dbraw/zinc/69/40/81/562694081.db2.gz DYYLJIKLFBCHTO-VWXIVLILSA-N 2 1 709.891 6.752 1 0 KKAFMP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[NH+](CCOc6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049918043 562694384 /nfs/dbraw/zinc/69/43/84/562694384.db2.gz VKKNXGTWJAHODB-PMERELPUSA-N 2 1 635.828 5.413 1 0 KKAFMP Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5[nH+]ccc(N6CC[N@@H+]7CCC[C@H]7C6)c5cc43)c3ccccc23)o1 ZINC000049918045 562694404 /nfs/dbraw/zinc/69/44/04/562694404.db2.gz XKPPMUQTJBGRJQ-QHCPKHFHSA-N 2 1 544.659 6.230 1 0 KKAFMP Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5[nH+]ccc(N6CC[N@H+]7CCC[C@H]7C6)c5cc43)c3ccccc23)o1 ZINC000049918045 562694405 /nfs/dbraw/zinc/69/44/05/562694405.db2.gz XKPPMUQTJBGRJQ-QHCPKHFHSA-N 2 1 544.659 6.230 1 0 KKAFMP c1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058534594 562698659 /nfs/dbraw/zinc/69/86/59/562698659.db2.gz BOAPHGYLZRIUAU-KWESMLHDSA-N 3 1 655.975 6.050 1 0 KKAFMP c1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058534594 562698660 /nfs/dbraw/zinc/69/86/60/562698660.db2.gz BOAPHGYLZRIUAU-KWESMLHDSA-N 3 1 655.975 6.050 1 0 KKAFMP c1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058534594 562698661 /nfs/dbraw/zinc/69/86/61/562698661.db2.gz BOAPHGYLZRIUAU-KWESMLHDSA-N 3 1 655.975 6.050 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+] ZINC000058540964 562698914 /nfs/dbraw/zinc/69/89/14/562698914.db2.gz KFACEZJIBWZGJP-BSUMSBOOSA-N 3 1 659.967 6.647 1 0 KKAFMP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000064379495 562704892 /nfs/dbraw/zinc/70/48/92/562704892.db2.gz KBMKKADZRZDNII-FLBADVGZSA-N 2 1 624.821 5.213 1 0 KKAFMP Clc1ccc([C@@H](c2ccccc2)N2CCC[N@H+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064491758 562705949 /nfs/dbraw/zinc/70/59/49/562705949.db2.gz RTXSHWCVMKPGAX-SSEXGKCCSA-N 2 1 519.520 7.141 1 0 KKAFMP Clc1ccc([C@@H](c2ccccc2)N2CCC[N@@H+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064491758 562705950 /nfs/dbraw/zinc/70/59/50/562705950.db2.gz RTXSHWCVMKPGAX-SSEXGKCCSA-N 2 1 519.520 7.141 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074422 562709823 /nfs/dbraw/zinc/70/98/23/562709823.db2.gz JVAFIFLJBRUNJB-HKBQPEDESA-N 2 1 578.761 5.220 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074422 562709824 /nfs/dbraw/zinc/70/98/24/562709824.db2.gz JVAFIFLJBRUNJB-HKBQPEDESA-N 2 1 578.761 5.220 1 0 KKAFMP CCC[N@@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071319438 562718794 /nfs/dbraw/zinc/71/87/94/562718794.db2.gz PMHUNJLVEGNLQB-UHFFFAOYSA-N 2 1 522.564 7.379 1 0 KKAFMP C[N@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)[nH+]c(NCCc2ccc(Cl)cc2)n1 ZINC000073198354 562735701 /nfs/dbraw/zinc/73/57/01/562735701.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 2 1 514.505 5.384 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)CCc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084652107 562746393 /nfs/dbraw/zinc/74/63/93/562746393.db2.gz YGROTYBAAMMXHU-SBVPHTNJSA-N 2 1 687.864 5.900 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084652612 562746626 /nfs/dbraw/zinc/74/66/26/562746626.db2.gz CCIXUQAEAWQXGP-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccncc2)CCc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653441 562746864 /nfs/dbraw/zinc/74/68/64/562746864.db2.gz RXJAIGOAJAFHPC-SBVPHTNJSA-N 2 1 687.864 5.900 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084654837 562747374 /nfs/dbraw/zinc/74/73/74/562747374.db2.gz NHXNABQBMQIFRX-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084654837 562747375 /nfs/dbraw/zinc/74/73/75/562747375.db2.gz NHXNABQBMQIFRX-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084739767 562751994 /nfs/dbraw/zinc/75/19/94/562751994.db2.gz DVSVXYKXZWWKJP-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084739767 562751995 /nfs/dbraw/zinc/75/19/95/562751995.db2.gz DVSVXYKXZWWKJP-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084756780 562752278 /nfs/dbraw/zinc/75/22/78/562752278.db2.gz AEPMTVIAOAXCNH-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084756780 562752279 /nfs/dbraw/zinc/75/22/79/562752279.db2.gz AEPMTVIAOAXCNH-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP C[NH+](CCNC(=O)CCCCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536873 562754215 /nfs/dbraw/zinc/75/42/15/562754215.db2.gz AVUJTHSKHNOMQK-UHFFFAOYSA-N 2 1 833.821 6.862 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576397 562770621 /nfs/dbraw/zinc/77/06/21/562770621.db2.gz GNEJSUKYIBOPAJ-YXCIKLIPSA-N 2 1 576.866 7.242 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576397 562770622 /nfs/dbraw/zinc/77/06/22/562770622.db2.gz GNEJSUKYIBOPAJ-YXCIKLIPSA-N 2 1 576.866 7.242 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576397 562770623 /nfs/dbraw/zinc/77/06/23/562770623.db2.gz GNEJSUKYIBOPAJ-YXCIKLIPSA-N 2 1 576.866 7.242 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576440 562770641 /nfs/dbraw/zinc/77/06/41/562770641.db2.gz TWBWBKOQSYWKQM-JTUQKUIRSA-N 2 1 548.812 6.462 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576440 562770642 /nfs/dbraw/zinc/77/06/42/562770642.db2.gz TWBWBKOQSYWKQM-JTUQKUIRSA-N 2 1 548.812 6.462 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@@H+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576440 562770643 /nfs/dbraw/zinc/77/06/43/562770643.db2.gz TWBWBKOQSYWKQM-JTUQKUIRSA-N 2 1 548.812 6.462 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095577343 562770907 /nfs/dbraw/zinc/77/09/07/562770907.db2.gz SURKRFGZUPRRDN-UHFFFAOYSA-N 2 1 543.737 6.398 1 0 KKAFMP CC[N@@H+](CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095578444 562771250 /nfs/dbraw/zinc/77/12/50/562771250.db2.gz RKXNOCVEXXJMLH-UHFFFAOYSA-N 2 1 571.791 7.179 1 0 KKAFMP COc1ccc2c3c1OC1CC(O)C=CC31CC[N@H+](CCCCCCCC[NH2+]C13CC4CC(C)(CC(C)(C4)C1)C3)C2 ZINC000095578583 562771309 /nfs/dbraw/zinc/77/13/09/562771309.db2.gz RKZVUTFVBNAVPV-RHKDRHLBSA-N 2 1 562.839 6.900 1 0 KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786232 /nfs/dbraw/zinc/78/62/32/562786232.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 2 1 755.381 7.680 1 0 in-vivo KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786233 /nfs/dbraw/zinc/78/62/33/562786233.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 2 1 755.381 7.680 1 0 in-vivo KKAFMP O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786234 /nfs/dbraw/zinc/78/62/34/562786234.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 2 1 755.381 7.680 1 0 in-vivo KKAFMP O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285563 562795842 /nfs/dbraw/zinc/79/58/42/562795842.db2.gz NHRHUIFWROFHGI-UHFFFAOYSA-N 2 1 616.806 7.166 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096903102 562797817 /nfs/dbraw/zinc/79/78/17/562797817.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 2 1 791.739 9.136 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096903102 562797818 /nfs/dbraw/zinc/79/78/18/562797818.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 2 1 791.739 9.136 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096903102 562797819 /nfs/dbraw/zinc/79/78/19/562797819.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 2 1 791.739 9.136 1 0 KKAFMP COC(=O)[C@H](CCCC[NH3+])[N@@H+](/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000100863144 562808278 /nfs/dbraw/zinc/80/82/78/562808278.db2.gz NESYNDZTQMSTIY-JOGFBLLDSA-N 2 1 620.834 8.584 1 0 KKAFMP COC(=O)[C@H](CCCC[NH3+])[N@H+](/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000100863144 562808279 /nfs/dbraw/zinc/80/82/79/562808279.db2.gz NESYNDZTQMSTIY-JOGFBLLDSA-N 2 1 620.834 8.584 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ccco2)CC1 ZINC000101193460 562809805 /nfs/dbraw/zinc/80/98/05/562809805.db2.gz XPNIFODGUNFQET-WLNZHLEZSA-N 2 1 508.710 6.730 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101322991 562810327 /nfs/dbraw/zinc/81/03/27/562810327.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101322991 562810328 /nfs/dbraw/zinc/81/03/28/562810328.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101322991 562810329 /nfs/dbraw/zinc/81/03/29/562810329.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 2 1 510.744 6.321 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCCCC2)c1=O ZINC000101790446 562812125 /nfs/dbraw/zinc/81/21/25/562812125.db2.gz JREDAYCXSVWBIJ-OUOZDZGXSA-N 2 1 520.762 5.744 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCC[NH+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101805179 562812207 /nfs/dbraw/zinc/81/22/07/562812207.db2.gz XXJKBGJNJRKFOK-VZRBIBDDSA-N 2 1 623.886 7.304 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCCC[N@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101805179 562812208 /nfs/dbraw/zinc/81/22/08/562812208.db2.gz XXJKBGJNJRKFOK-VZRBIBDDSA-N 2 1 623.886 7.304 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCCC[N@@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101805179 562812209 /nfs/dbraw/zinc/81/22/09/562812209.db2.gz XXJKBGJNJRKFOK-VZRBIBDDSA-N 2 1 623.886 7.304 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CCCC/C=C\CC2 ZINC000102229669 562812968 /nfs/dbraw/zinc/81/29/68/562812968.db2.gz FDTXAASVSUUWOT-GSXVTLMESA-N 2 1 550.791 7.151 1 0 KKAFMP COc1ccc(C[C@H]2COc3ccccc3C[N@H+]2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000103241362 562819587 /nfs/dbraw/zinc/81/95/87/562819587.db2.gz AJUOQHSLMWHGKL-LJAQVGFWSA-N 2 1 500.683 5.956 1 0 KKAFMP CC(C)(C)OC(=O)NCCC[N@@H+](CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000118909734 562830829 /nfs/dbraw/zinc/83/08/29/562830829.db2.gz MKUMDZLGRUOSDR-UHFFFAOYSA-N 2 1 573.226 5.325 1 0 KKAFMP CC(C)(C)OC(=O)NCCC[N@H+](CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000118909734 562830830 /nfs/dbraw/zinc/83/08/30/562830830.db2.gz MKUMDZLGRUOSDR-UHFFFAOYSA-N 3 1 573.226 5.325 1 0 KKAFMP CC(C)(C)OC(=O)NCCC[N@@H+](CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000118909734 562830831 /nfs/dbraw/zinc/83/08/31/562830831.db2.gz MKUMDZLGRUOSDR-UHFFFAOYSA-N 3 1 573.226 5.325 1 0 KKAFMP O[C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885582 562831108 /nfs/dbraw/zinc/83/11/08/562831108.db2.gz XISVXJWNLOWHCO-BCRBLDSWSA-N 2 1 560.782 6.160 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000140458301 562833046 /nfs/dbraw/zinc/83/30/46/562833046.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000140458301 562833047 /nfs/dbraw/zinc/83/30/47/562833047.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000140458301 562833048 /nfs/dbraw/zinc/83/30/48/562833048.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 2 1 510.744 6.321 1 0 KKAFMP C[N@@H+]1CC[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 562838809 /nfs/dbraw/zinc/83/88/09/562838809.db2.gz FNPAWPXECREYQA-HYHVHEOASA-N 2 1 579.519 5.041 1 0 KKAFMP C[N@H+]1CC[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 562838810 /nfs/dbraw/zinc/83/88/10/562838810.db2.gz FNPAWPXECREYQA-HYHVHEOASA-N 2 1 579.519 5.041 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000150351835 562843240 /nfs/dbraw/zinc/84/32/40/562843240.db2.gz CVSHABYVKZAERD-WNKBNXJDSA-N 2 1 678.918 8.086 1 0 KKAFMP CC[C@]12C=CC[N@H+]3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CC[NH+]7CC[C@]54[C@@H]76)C1)[C@@H]32 ZINC000150593869 562846424 /nfs/dbraw/zinc/84/64/24/562846424.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 2 1 672.826 5.332 1 0 KKAFMP CC[C@]12C=CC[N@@H+]3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CC[NH+]7CC[C@]54[C@@H]76)C1)[C@@H]32 ZINC000150593869 562846425 /nfs/dbraw/zinc/84/64/25/562846425.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 2 1 672.826 5.332 1 0 KKAFMP CC[C@]12C=CC[NH+]3Cc4c(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 562846426 /nfs/dbraw/zinc/84/64/26/562846426.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 2 1 672.826 5.332 1 0 KKAFMP CC[C@]12C=CC[NH+]3Cc4c(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 562846427 /nfs/dbraw/zinc/84/64/27/562846427.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 2 1 672.826 5.332 1 0 KKAFMP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(OC(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000164791939 562849703 /nfs/dbraw/zinc/84/97/03/562849703.db2.gz KFOMAXVKJYLIHN-RGUYMSHQSA-N 2 1 709.690 6.423 1 0 KKAFMP Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[NH+]6CCC([NH+]7CCCC7)CC6)cc5)c4)CC3)cn21 ZINC000167218761 562850655 /nfs/dbraw/zinc/85/06/55/562850655.db2.gz MPZREFQMQSSBPR-HJWAMQHWSA-N 2 1 729.901 7.167 1 0 KKAFMP 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+]CCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302337 562853057 /nfs/dbraw/zinc/85/30/57/562853057.db2.gz GYRFRFOKLUQHEH-BHYNYORESA-N 2 1 680.330 7.617 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000169318865 562856107 /nfs/dbraw/zinc/85/61/07/562856107.db2.gz XOWSSUSVVZAUSO-KKLWWLSJSA-N 2 1 717.786 6.115 1 0 KKAFMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323978 562857224 /nfs/dbraw/zinc/85/72/24/562857224.db2.gz ZOCJVKXBNHCCQK-MUUNZHRXSA-N 2 1 629.636 7.016 1 0 KKAFMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323978 562857225 /nfs/dbraw/zinc/85/72/25/562857225.db2.gz ZOCJVKXBNHCCQK-MUUNZHRXSA-N 2 1 629.636 7.016 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000169369207 562864673 /nfs/dbraw/zinc/86/46/73/562864673.db2.gz RJMPZVNRFHISRQ-SAYXQKJXSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2CCC[C@@H]3c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000169369207 562864674 /nfs/dbraw/zinc/86/46/74/562864674.db2.gz RJMPZVNRFHISRQ-SAYXQKJXSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2CCC[C@@H]3c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000169369207 562864675 /nfs/dbraw/zinc/86/46/75/562864675.db2.gz RJMPZVNRFHISRQ-SAYXQKJXSA-N 2 1 564.862 8.377 1 0 KKAFMP C[N@@H+](CCCNc1ccnc2cc(Cl)ccc21)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1 ZINC000299834046 562886381 /nfs/dbraw/zinc/88/63/81/562886381.db2.gz BASQNHWJHDNLLO-UHFFFAOYSA-N 2 1 503.046 5.898 1 0 KKAFMP C[N@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1 ZINC000299834046 562886382 /nfs/dbraw/zinc/88/63/82/562886382.db2.gz BASQNHWJHDNLLO-UHFFFAOYSA-N 2 1 503.046 5.898 1 0 KKAFMP [NH3+][C@H]1CC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)CC1 ZINC000299841294 562888847 /nfs/dbraw/zinc/88/88/47/562888847.db2.gz ZADRUEBKBUVLOM-OYRHEFFESA-N 2 1 542.647 6.786 1 0 KKAFMP [NH3+]CCC[NH+](CCCC[N@H+](CCC[NH3+])C1c2ccccc2CCc2ccccc21)C1c2ccccc2CCc2ccccc21 ZINC000299854579 562891394 /nfs/dbraw/zinc/89/13/94/562891394.db2.gz AJXJWZFPYVJZEU-UHFFFAOYSA-N 4 1 586.868 6.845 1 0 KKAFMP CCCC[N@H+](Cc1ccccc1)C[C@@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299869700 562895367 /nfs/dbraw/zinc/89/53/67/562895367.db2.gz VFAQYCMSJSCDCB-PGUFJCEWSA-N 2 1 636.906 6.762 1 0 KKAFMP [NH3+]CCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000473107038 562898324 /nfs/dbraw/zinc/89/83/24/562898324.db2.gz ZYVSCKPGUXZYLJ-SZRGUQLDSA-N 2 1 628.857 8.299 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159096 562902682 /nfs/dbraw/zinc/90/26/82/562902682.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 2 1 550.099 5.321 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159096 562902683 /nfs/dbraw/zinc/90/26/83/562902683.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 2 1 550.099 5.321 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473182561 562903462 /nfs/dbraw/zinc/90/34/62/562903462.db2.gz PYEKSCSBXYVZAI-UEDWGHLCSA-N 2 1 508.062 5.816 1 0 KKAFMP CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473244345 562904854 /nfs/dbraw/zinc/90/48/54/562904854.db2.gz IJPSUGRNDZEQPA-UEOVJWFCSA-N 2 1 613.847 5.841 1 0 KKAFMP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916448 /nfs/dbraw/zinc/91/64/48/562916448.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 2 1 517.636 5.390 1 0 KKAFMP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916449 /nfs/dbraw/zinc/91/64/49/562916449.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 2 1 517.636 5.390 1 0 KKAFMP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916450 /nfs/dbraw/zinc/91/64/50/562916450.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 2 1 517.636 5.390 1 0 KKAFMP 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 565115109 /nfs/dbraw/zinc/11/51/09/565115109.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 2 1 668.787 6.457 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N@@H+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[NH+]2C)OCO4)cc1 ZINC000085493078 565127915 /nfs/dbraw/zinc/12/79/15/565127915.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 2 1 682.814 6.794 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000085493078 565127922 /nfs/dbraw/zinc/12/79/22/565127922.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 2 1 682.814 6.794 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@@H+]2C)OCO4)cc1 ZINC000085493078 565127928 /nfs/dbraw/zinc/12/79/28/565127928.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 2 1 682.814 6.794 1 0 biogenic,in-vitro KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000005741900 561698026 /nfs/dbraw/zinc/69/80/26/561698026.db2.gz AMSNINGPDSUBHZ-JQFAMBKLSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000005741900 561698027 /nfs/dbraw/zinc/69/80/27/561698027.db2.gz AMSNINGPDSUBHZ-JQFAMBKLSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000005741900 561698029 /nfs/dbraw/zinc/69/80/29/561698029.db2.gz AMSNINGPDSUBHZ-JQFAMBKLSA-N 2 1 564.774 6.561 1 0 in-vivo KKAFMP NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC000006716800 561702942 /nfs/dbraw/zinc/70/29/42/561702942.db2.gz SKQQIRNICDPYHD-HKFHRXRESA-N 2 1 624.826 5.381 1 0 KKAFMP NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](CCCCCCCCC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC000014192100 561737554 /nfs/dbraw/zinc/73/75/54/561737554.db2.gz SKQQIRNICDPYHD-KAODMTDESA-N 2 1 624.826 5.381 1 0 KKAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000026577861 561802475 /nfs/dbraw/zinc/80/24/75/561802475.db2.gz PPYHLAOWZGOBEU-UHFFFAOYSA-N 2 1 604.526 5.349 1 0 KKAFMP C[N@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026579413 561804632 /nfs/dbraw/zinc/80/46/32/561804632.db2.gz VAYCSJFLMOOEMT-BWXVZPLGSA-N 2 1 541.588 6.754 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672790 561812868 /nfs/dbraw/zinc/81/28/68/561812868.db2.gz YCCLCMWMAFCWMJ-UHFFFAOYSA-N 2 1 578.157 6.366 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744362 561818518 /nfs/dbraw/zinc/81/85/18/561818518.db2.gz DFYRHGJYRCVNFA-UTDZTPKCSA-N 2 1 525.649 6.062 1 0 KKAFMP C[N@@H+](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441943 561860869 /nfs/dbraw/zinc/86/08/69/561860869.db2.gz MQKHVKMWIBXXJD-HHHXNRCGSA-N 2 1 541.624 6.890 1 0 KKAFMP [NH3+][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 561896716 /nfs/dbraw/zinc/89/67/16/561896716.db2.gz NRXLSVZBUARMKR-LSHZFYPFSA-N 2 1 599.697 7.048 1 0 KKAFMP [NH3+][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 561896718 /nfs/dbraw/zinc/89/67/18/561896718.db2.gz NRXLSVZBUARMKR-LSHZFYPFSA-N 2 1 599.697 7.048 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000028112200 561903240 /nfs/dbraw/zinc/90/32/40/561903240.db2.gz BRXPRAJZVJZRHT-FQEVSTJZSA-N 2 1 572.408 7.546 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112542 561903266 /nfs/dbraw/zinc/90/32/66/561903266.db2.gz NLMFMSDGYBOUTF-FQEVSTJZSA-N 2 1 572.408 7.546 1 0 KKAFMP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000028714020 561954467 /nfs/dbraw/zinc/95/44/67/561954467.db2.gz JKTVQQVIVFPXST-UHFFFAOYSA-N 2 1 570.137 5.359 1 0 KKAFMP NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[N@@H+](CCCCCC[NH3+])CCc1ccc(Cl)cc1Cl ZINC000028824976 561970205 /nfs/dbraw/zinc/97/02/05/561970205.db2.gz UXALQPRPQYILAB-UHFFFAOYSA-N 2 1 576.396 5.220 1 0 KKAFMP Cc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(CCc3ccccc3Cl)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000028823657 561968343 /nfs/dbraw/zinc/96/83/43/561968343.db2.gz PHVXTQIROLEEDB-FQLXRVMXSA-N 2 1 516.129 6.075 1 0 in-vitro KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C3CCCCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824185 561969295 /nfs/dbraw/zinc/96/92/95/561969295.db2.gz DAFPNLVODHMZSU-GKRYNVPLSA-N 2 1 541.155 5.832 1 0 KKAFMP C[N@H+]1CCC[C@H]1CCNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889994 561978141 /nfs/dbraw/zinc/97/81/41/561978141.db2.gz GTXLIDBURRGFMW-YGZVCBRSSA-N 2 1 563.117 6.402 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cc5ccccc5n4C)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953840 561982667 /nfs/dbraw/zinc/98/26/67/561982667.db2.gz YIHYBZGNGPYTJH-ZWXJPIIXSA-N 2 1 590.256 5.892 1 0 KKAFMP COc1cccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c1 ZINC000028953973 561982789 /nfs/dbraw/zinc/98/27/89/561982789.db2.gz FRVHFPVHFOCZKS-JSOSNVBQSA-N 2 1 567.218 5.409 1 0 KKAFMP C[NH2+]CC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960112 561983918 /nfs/dbraw/zinc/98/39/18/561983918.db2.gz CQGIRLQWAZCVCA-NHKHRBQYSA-N 2 1 636.203 5.554 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@H](O)CCC[N@@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042061 561991384 /nfs/dbraw/zinc/99/13/84/561991384.db2.gz FWKMZPGKUSOYOX-GSHZZBMGSA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@H+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@H](O)CCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042061 561991385 /nfs/dbraw/zinc/99/13/85/561991385.db2.gz FWKMZPGKUSOYOX-GSHZZBMGSA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@H](O)CCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042061 561991387 /nfs/dbraw/zinc/99/13/87/561991387.db2.gz FWKMZPGKUSOYOX-GSHZZBMGSA-N 2 1 582.789 5.756 1 0 KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(F)c(Cl)c2)CC1 ZINC000029130271 562002356 /nfs/dbraw/zinc/00/23/56/562002356.db2.gz KMWZPGLREBIDRH-HEHLMWRFSA-N 2 1 618.213 5.156 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029343754 562015859 /nfs/dbraw/zinc/01/58/59/562015859.db2.gz RNZDANXNAQIPPL-VKONIRKNSA-N 2 1 601.663 5.947 1 0 KKAFMP Clc1ccc2c(c1)nccc2N1CCC[NH2+]CCN(c2cc[nH+]c3cc(Cl)ccc32)CCC[NH2+]CC1 ZINC000029401707 562019835 /nfs/dbraw/zinc/01/98/35/562019835.db2.gz BMCBCIKZJCWYCR-UHFFFAOYSA-N 3 1 523.512 5.376 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@@H+](C)CC1CCCCC1 ZINC000029475074 562026332 /nfs/dbraw/zinc/02/63/32/562026332.db2.gz DOMCOHRWZKLEBX-PXLJZGITSA-N 2 1 604.880 5.822 1 0 KKAFMP CCN(CC)C(=S)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485593 562028195 /nfs/dbraw/zinc/02/81/95/562028195.db2.gz IGTFZSOMLHHHPK-CLJLJLNGSA-N 2 1 502.838 5.449 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CCCCC1 ZINC000029488873 562028970 /nfs/dbraw/zinc/02/89/70/562028970.db2.gz RXTZXUIANKJKCT-YDAXCOIMSA-N 2 1 652.924 6.753 1 0 KKAFMP CCCCCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551885 562031154 /nfs/dbraw/zinc/03/11/54/562031154.db2.gz VASSRGYVSNRJNX-ROJLCIKYSA-N 2 1 554.864 6.188 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553212 562031615 /nfs/dbraw/zinc/03/16/15/562031615.db2.gz GGBHBMIRPAMULK-ROJLCIKYSA-N 2 1 574.854 6.131 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553214 562031626 /nfs/dbraw/zinc/03/16/26/562031626.db2.gz GGBHBMIRPAMULK-MEKGRNQZSA-N 2 1 574.854 6.131 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(C[NH+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553214 562031627 /nfs/dbraw/zinc/03/16/27/562031627.db2.gz GGBHBMIRPAMULK-MEKGRNQZSA-N 2 1 574.854 6.131 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(C[NH+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553214 562031628 /nfs/dbraw/zinc/03/16/28/562031628.db2.gz GGBHBMIRPAMULK-MEKGRNQZSA-N 2 1 574.854 6.131 1 0 KKAFMP OC1(c2ccc(Cl)cc2)CC[NH+](CCCn2c3ccccc3c3c2C[N@@H+](CCc2ccccn2)CC3)CC1 ZINC000036093022 562047119 /nfs/dbraw/zinc/04/71/19/562047119.db2.gz QUSHWYMMZWAFBH-UHFFFAOYSA-N 2 1 529.128 5.664 1 0 KKAFMP OC1(c2ccc(Cl)cc2)CC[NH+](CCCn2c3ccccc3c3c2C[N@H+](CCc2ccccn2)CC3)CC1 ZINC000036093022 562047121 /nfs/dbraw/zinc/04/71/21/562047121.db2.gz QUSHWYMMZWAFBH-UHFFFAOYSA-N 2 1 529.128 5.664 1 0 KKAFMP CC[C@@H](C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285464 562054251 /nfs/dbraw/zinc/05/42/51/562054251.db2.gz RUOYYZYZPAEQIU-RYTUXRKISA-N 2 1 573.531 6.318 1 0 KKAFMP COc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351639 562058785 /nfs/dbraw/zinc/05/87/85/562058785.db2.gz HAMYAGGBQVFQLR-UMSFTDKQSA-N 2 1 592.611 7.862 1 0 KKAFMP COc1cccc(-c2ccc3c(c2)CC[N@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351639 562058788 /nfs/dbraw/zinc/05/87/88/562058788.db2.gz HAMYAGGBQVFQLR-UMSFTDKQSA-N 2 1 592.611 7.862 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccc[nH]3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351685 562058978 /nfs/dbraw/zinc/05/89/78/562058978.db2.gz BCSNLJDMKOJVES-WJOKGBTCSA-N 2 1 551.562 7.181 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccc[nH]3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351685 562058979 /nfs/dbraw/zinc/05/89/79/562058979.db2.gz BCSNLJDMKOJVES-WJOKGBTCSA-N 2 1 551.562 7.181 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000038139356 562062634 /nfs/dbraw/zinc/06/26/34/562062634.db2.gz JEKDOWMTUCHNIR-XZWHSSHBSA-N 2 1 608.735 6.859 3 0 aggregator,in-vitro KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000038139356 562062636 /nfs/dbraw/zinc/06/26/36/562062636.db2.gz JEKDOWMTUCHNIR-XZWHSSHBSA-N 2 1 608.735 6.859 3 0 aggregator,in-vitro KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000038139356 562062638 /nfs/dbraw/zinc/06/26/38/562062638.db2.gz JEKDOWMTUCHNIR-XZWHSSHBSA-N 2 1 608.735 6.859 3 0 aggregator,in-vitro KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000038147276 562065488 /nfs/dbraw/zinc/06/54/88/562065488.db2.gz JEKDOWMTUCHNIR-LOYHVIPDSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000038147276 562065490 /nfs/dbraw/zinc/06/54/90/562065490.db2.gz JEKDOWMTUCHNIR-LOYHVIPDSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000038147276 562065492 /nfs/dbraw/zinc/06/54/92/562065492.db2.gz JEKDOWMTUCHNIR-LOYHVIPDSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP C[N@@H+](CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040860839 562080687 /nfs/dbraw/zinc/08/06/87/562080687.db2.gz AQQFXOLTZFTABW-UHFFFAOYSA-N 2 1 508.750 7.379 1 0 KKAFMP Cc1c(C[NH2+]CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040952566 562086342 /nfs/dbraw/zinc/08/63/42/562086342.db2.gz YLTFPNHAWXRRBI-VVFBEHOQSA-N 2 1 528.144 7.285 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4c4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000042805262 562089052 /nfs/dbraw/zinc/08/90/52/562089052.db2.gz VTVNTEIEPCGUGM-VMPREFPWSA-N 2 1 594.767 7.691 1 0 KKAFMP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000042806495 562089762 /nfs/dbraw/zinc/08/97/62/562089762.db2.gz WAEIYUXLBCHFAM-RUZDIDTESA-N 2 1 622.781 5.717 1 0 KKAFMP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000042806495 562089763 /nfs/dbraw/zinc/08/97/63/562089763.db2.gz WAEIYUXLBCHFAM-RUZDIDTESA-N 2 1 622.781 5.717 1 0 KKAFMP C/C(=C\C(=O)O[C@@H]1C[C@@H]2[C@@H](C[N@@H+](C)C[C@@H]2C)[C@@H]1C)CC/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@@H](C[NH+](C)C[C@@H]2C)[C@@H]1C ZINC000095912329 560057273 /nfs/dbraw/zinc/05/72/73/560057273.db2.gz SNACZJFGFSJVFX-OYERZMFVSA-N 2 1 528.778 5.190 1 0 biogenic,in-vitro KKAFMP C/C(=C\C(=O)O[C@@H]1C[C@@H]2[C@@H](C[NH+](C)C[C@@H]2C)[C@@H]1C)CC/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@@H](C[N@H+](C)C[C@@H]2C)[C@@H]1C ZINC000095912329 560057274 /nfs/dbraw/zinc/05/72/74/560057274.db2.gz SNACZJFGFSJVFX-OYERZMFVSA-N 2 1 528.778 5.190 1 0 biogenic,in-vitro KKAFMP C/C(=C\C(=O)O[C@@H]1C[C@@H]2[C@@H](C[NH+](C)C[C@@H]2C)[C@@H]1C)CC/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@@H](C[N@@H+](C)C[C@@H]2C)[C@@H]1C ZINC000095912329 560057275 /nfs/dbraw/zinc/05/72/75/560057275.db2.gz SNACZJFGFSJVFX-OYERZMFVSA-N 2 1 528.778 5.190 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH2+]CC2)[N@@H+](C)CC4 ZINC000085834880 560066728 /nfs/dbraw/zinc/06/67/28/560066728.db2.gz FFMSDFHGOKKUKH-IZLXSDGUSA-N 2 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@@H](O)[C@@]3(C[C@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000085531073 560073232 /nfs/dbraw/zinc/07/32/32/560073232.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 2 1 526.743 5.943 1 0 biogenic,in-vitro KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@H]4O)CC[C@@H]12 ZINC000085531073 560073234 /nfs/dbraw/zinc/07/32/34/560073234.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 2 1 526.743 5.943 1 0 biogenic,in-vitro KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@H]4O)CC[C@@H]12 ZINC000085531073 560073235 /nfs/dbraw/zinc/07/32/35/560073235.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 2 1 526.743 5.943 1 0 biogenic,in-vitro KKAFMP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCCCCC[N@@H+](C)CCc2c[nH]c3ccccc23)CC1 ZINC000043024852 562645067 /nfs/dbraw/zinc/64/50/67/562645067.db2.gz AEPMXCLJHNXORS-UHFFFAOYSA-N 2 1 568.206 6.121 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044306527 562653753 /nfs/dbraw/zinc/65/37/53/562653753.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 2 1 624.778 6.762 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@H+](C)CC2 ZINC000044306527 562653754 /nfs/dbraw/zinc/65/37/54/562653754.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 2 1 624.778 6.762 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000044306527 562653755 /nfs/dbraw/zinc/65/37/55/562653755.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 2 1 624.778 6.762 1 0 KKAFMP CCCCNC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NCCCC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044306463 562653780 /nfs/dbraw/zinc/65/37/80/562653780.db2.gz NDXCDBBFIUYZEU-UHFFFAOYSA-N 2 1 610.810 7.989 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Sc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044351220 562654521 /nfs/dbraw/zinc/65/45/21/562654521.db2.gz IEWATRKWOXRHDO-UHFFFAOYSA-N 2 1 586.769 7.571 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044351769 562654871 /nfs/dbraw/zinc/65/48/71/562654871.db2.gz WJSNUVNOLBWTPN-ZPEQAWDESA-N 2 1 588.833 7.016 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4cc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cs4)cc3)nc2c1 ZINC000044387357 562656113 /nfs/dbraw/zinc/65/61/13/562656113.db2.gz FUPVQDFNQMVGFA-UHFFFAOYSA-N 2 1 588.785 7.267 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3csc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)c3)nc2c1 ZINC000044387357 562656114 /nfs/dbraw/zinc/65/61/14/562656114.db2.gz FUPVQDFNQMVGFA-UHFFFAOYSA-N 2 1 588.785 7.267 1 0 KKAFMP O=C1N(CC[NH+]2CCCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044405278 562656654 /nfs/dbraw/zinc/65/66/54/562656654.db2.gz AWCUCKNTBFFHCS-UHFFFAOYSA-N 2 1 577.600 6.710 1 0 KKAFMP C[C@H](Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201726 562659042 /nfs/dbraw/zinc/65/90/42/562659042.db2.gz UPJUYKHBVUUAHI-BTYSJIOQSA-N 2 1 511.632 5.277 1 0 KKAFMP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c(C(=O)NCC2CCCCC2)c1 ZINC000045228244 562659403 /nfs/dbraw/zinc/65/94/03/562659403.db2.gz ZGYCKXWIXDHTSP-MGBGTMOVSA-N 2 1 537.792 7.541 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000048307297 562662860 /nfs/dbraw/zinc/66/28/60/562662860.db2.gz WSGPYYOEACVISQ-UHFFFAOYSA-N 2 1 637.681 7.078 1 0 KKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667077 /nfs/dbraw/zinc/66/70/77/562667077.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 2 1 547.669 6.375 1 0 KKAFMP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667078 /nfs/dbraw/zinc/66/70/78/562667078.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 2 1 547.669 6.375 1 0 KKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667079 /nfs/dbraw/zinc/66/70/79/562667079.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 2 1 547.669 6.375 1 0 KKAFMP COC(=O)c1cc2c3ccccc3[nH]c2c(C2=C[C@@]3(O)CC/C=C\CCCC[N@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)n1 ZINC000049722673 562672358 /nfs/dbraw/zinc/67/23/58/562672358.db2.gz MHHCPGADKGCAIP-WPCWUHTLSA-N 2 1 606.811 6.642 1 0 KKAFMP COC(=O)c1cc2c3ccccc3[nH]c2c(C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@@H+]5[C@H]23)C4)n1 ZINC000049722673 562672359 /nfs/dbraw/zinc/67/23/59/562672359.db2.gz MHHCPGADKGCAIP-WPCWUHTLSA-N 2 1 606.811 6.642 1 0 KKAFMP COC(=O)c1cc2c3ccccc3[nH]c2c(C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@H+]5[C@H]23)C4)n1 ZINC000049722673 562672360 /nfs/dbraw/zinc/67/23/60/562672360.db2.gz MHHCPGADKGCAIP-WPCWUHTLSA-N 2 1 606.811 6.642 1 0 KKAFMP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000049722721 562672446 /nfs/dbraw/zinc/67/24/46/562672446.db2.gz BQIVPPWUXSHORF-NIENTGTKSA-N 2 1 610.843 5.579 1 0 KKAFMP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@@H+]5[C@H]23)C4)N1 ZINC000049722721 562672447 /nfs/dbraw/zinc/67/24/47/562672447.db2.gz BQIVPPWUXSHORF-NIENTGTKSA-N 2 1 610.843 5.579 1 0 KKAFMP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@H+]5[C@H]23)C4)N1 ZINC000049722721 562672448 /nfs/dbraw/zinc/67/24/48/562672448.db2.gz BQIVPPWUXSHORF-NIENTGTKSA-N 2 1 610.843 5.579 1 0 KKAFMP CCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049757504 562676053 /nfs/dbraw/zinc/67/60/53/562676053.db2.gz OKXSCHLNSYXZHD-VNYQLODASA-N 2 1 619.854 7.204 1 0 KKAFMP CCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049757504 562676054 /nfs/dbraw/zinc/67/60/54/562676054.db2.gz OKXSCHLNSYXZHD-VNYQLODASA-N 2 1 619.854 7.204 1 0 KKAFMP CCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049757504 562676055 /nfs/dbraw/zinc/67/60/55/562676055.db2.gz OKXSCHLNSYXZHD-VNYQLODASA-N 2 1 619.854 7.204 1 0 KKAFMP O=C(Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21)C1CCCCC1 ZINC000049761879 562676174 /nfs/dbraw/zinc/67/61/74/562676174.db2.gz HBBDIHDYZMNJML-YDQLZLBPSA-N 2 1 673.946 8.375 1 0 KKAFMP O=C(Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21)C1CCCCC1 ZINC000049761879 562676175 /nfs/dbraw/zinc/67/61/75/562676175.db2.gz HBBDIHDYZMNJML-YDQLZLBPSA-N 2 1 673.946 8.375 1 0 KKAFMP O=C(Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21)C1CCCCC1 ZINC000049761879 562676176 /nfs/dbraw/zinc/67/61/76/562676176.db2.gz HBBDIHDYZMNJML-YDQLZLBPSA-N 2 1 673.946 8.375 1 0 KKAFMP CCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771664 562678300 /nfs/dbraw/zinc/67/83/00/562678300.db2.gz VSTOGDNFPWAFAX-XDIGAPRSSA-N 2 1 647.908 7.985 1 0 KKAFMP CCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771664 562678301 /nfs/dbraw/zinc/67/83/01/562678301.db2.gz VSTOGDNFPWAFAX-XDIGAPRSSA-N 2 1 647.908 7.985 1 0 KKAFMP CCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771664 562678302 /nfs/dbraw/zinc/67/83/02/562678302.db2.gz VSTOGDNFPWAFAX-XDIGAPRSSA-N 2 1 647.908 7.985 1 0 KKAFMP C[NH+](C)CC(C)(C)CNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000049775623 562679179 /nfs/dbraw/zinc/67/91/79/562679179.db2.gz NMULSNNATHYGPZ-UHFFFAOYSA-N 2 1 558.690 7.104 1 0 KKAFMP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC([N@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777304 562679916 /nfs/dbraw/zinc/67/99/16/562679916.db2.gz LZHIZGLOVRGHRV-HKBQPEDESA-N 2 1 644.926 6.335 1 0 KKAFMP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC([N@@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777304 562679917 /nfs/dbraw/zinc/67/99/17/562679917.db2.gz LZHIZGLOVRGHRV-HKBQPEDESA-N 2 1 644.926 6.335 1 0 KKAFMP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[N@H+]4CC[C@@H]5CCCC[C@@H]5C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777895 562680663 /nfs/dbraw/zinc/68/06/63/562680663.db2.gz YDBRDSDKSOYGNU-LMSSTIIKSA-N 2 1 750.998 5.968 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@@](C[NH2+]CC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780644 562682022 /nfs/dbraw/zinc/68/20/22/562682022.db2.gz PMHUNWICIAERSX-BHVANESWSA-N 3 1 595.869 6.246 1 0 KKAFMP COc1ccc(CC[N@H+](C)CCC[C@@](CNCC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780644 562682023 /nfs/dbraw/zinc/68/20/23/562682023.db2.gz PMHUNWICIAERSX-BHVANESWSA-N 2 1 595.869 6.246 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@@](CNCC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780644 562682024 /nfs/dbraw/zinc/68/20/24/562682024.db2.gz PMHUNWICIAERSX-BHVANESWSA-N 2 1 595.869 6.246 1 0 KKAFMP Fc1cccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793512 562684905 /nfs/dbraw/zinc/68/49/05/562684905.db2.gz GNBNJHANHQQZGE-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793512 562684906 /nfs/dbraw/zinc/68/49/06/562684906.db2.gz GNBNJHANHQQZGE-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793512 562684907 /nfs/dbraw/zinc/68/49/07/562684907.db2.gz GNBNJHANHQQZGE-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000049793891 562685306 /nfs/dbraw/zinc/68/53/06/562685306.db2.gz OCUVBNBZPYQEBS-ZQWQDMLBSA-N 3 1 722.809 7.227 1 0 KKAFMP Brc1cccc(CCC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802592 562685849 /nfs/dbraw/zinc/68/58/49/562685849.db2.gz ITVPHDKXOSLPJK-HRBFTXTFSA-N 3 1 748.898 7.203 1 0 KKAFMP Brc1cccc(CCC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802592 562685850 /nfs/dbraw/zinc/68/58/50/562685850.db2.gz ITVPHDKXOSLPJK-HRBFTXTFSA-N 3 1 748.898 7.203 1 0 KKAFMP Brc1cccc(CCC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802592 562685851 /nfs/dbraw/zinc/68/58/51/562685851.db2.gz ITVPHDKXOSLPJK-HRBFTXTFSA-N 3 1 748.898 7.203 1 0 KKAFMP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888969 562691692 /nfs/dbraw/zinc/69/16/92/562691692.db2.gz LOOANSAOYXBBSO-JOCHJYFZSA-N 2 1 554.135 5.018 1 0 KKAFMP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888969 562691693 /nfs/dbraw/zinc/69/16/93/562691693.db2.gz LOOANSAOYXBBSO-JOCHJYFZSA-N 2 1 554.135 5.018 1 0 KKAFMP Clc1ccc(C(Nc2cc[nH+]c3cc(Cl)ccc23)(c2ccc(Cl)cc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000049889089 562691786 /nfs/dbraw/zinc/69/17/86/562691786.db2.gz HCDIVWHURFENQQ-UHFFFAOYSA-N 2 1 572.967 9.195 1 0 KKAFMP [NH3+]CCc1c2cc([O-])c([C@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902773 562693382 /nfs/dbraw/zinc/69/33/82/562693382.db2.gz CYAJKOUHPRYFRD-GOTSBHOMSA-N 2 1 650.419 6.044 1 0 KKAFMP C[C@@H](Cc1ccc(C[NH+](CC(N)=O)Cc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917815 562693958 /nfs/dbraw/zinc/69/39/58/562693958.db2.gz XFAQNBFQMXDPNG-VMPREFPWSA-N 3 1 645.719 7.008 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049917976 562694282 /nfs/dbraw/zinc/69/42/82/562694282.db2.gz DFTHZVATPKLMOR-UHFFFAOYSA-N 2 1 605.783 6.044 1 0 KKAFMP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000058498827 562698265 /nfs/dbraw/zinc/69/82/65/562698265.db2.gz VXJOOTNFWSEXEQ-XPSQVAKYSA-N 4 1 560.830 6.728 1 0 KKAFMP CN1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000058498827 562698268 /nfs/dbraw/zinc/69/82/68/562698268.db2.gz VXJOOTNFWSEXEQ-XPSQVAKYSA-N 3 1 560.830 6.728 1 0 KKAFMP CN1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000058498827 562698269 /nfs/dbraw/zinc/69/82/69/562698269.db2.gz VXJOOTNFWSEXEQ-XPSQVAKYSA-N 3 1 560.830 6.728 1 0 KKAFMP Cc1ccc(C[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538286 562698839 /nfs/dbraw/zinc/69/88/39/562698839.db2.gz YCPUQJWPWMUTCY-ITMZJIMRSA-N 3 1 655.975 6.316 1 0 KKAFMP Cc1ccc(C[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538286 562698840 /nfs/dbraw/zinc/69/88/40/562698840.db2.gz YCPUQJWPWMUTCY-ITMZJIMRSA-N 3 1 655.975 6.316 1 0 KKAFMP Cc1ccc(C[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538286 562698841 /nfs/dbraw/zinc/69/88/41/562698841.db2.gz YCPUQJWPWMUTCY-ITMZJIMRSA-N 3 1 655.975 6.316 1 0 KKAFMP 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)[NH+](C)C ZINC000058592593 562700625 /nfs/dbraw/zinc/70/06/25/562700625.db2.gz LYSNGEFRFVXPRO-PZXMZKPCSA-N 2 1 616.193 6.050 1 0 KKAFMP CC(C)C[NH+](CC(C)C)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058600005 562700853 /nfs/dbraw/zinc/70/08/53/562700853.db2.gz DLMAHEURGWWRQJ-RKKDRKJOSA-N 2 1 588.872 6.486 1 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066167085 562714239 /nfs/dbraw/zinc/71/42/39/562714239.db2.gz QTOQSFUMTPVZMK-KTLQOYRUSA-N 3 1 564.650 5.011 3 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066167085 562714240 /nfs/dbraw/zinc/71/42/40/562714240.db2.gz QTOQSFUMTPVZMK-KTLQOYRUSA-N 2 1 564.650 5.011 3 0 KKAFMP CC[NH+](CC)CCc1ccc(Oc2ccc(C(=O)c3ccc(C[N@@H+](C)Cc4ccccc4)cc3)cc2)cc1 ZINC000071297013 562717696 /nfs/dbraw/zinc/71/76/96/562717696.db2.gz PKMOPDBOZLQVPB-UHFFFAOYSA-N 2 1 506.690 7.226 1 0 KKAFMP C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCCCCC[NH+]3CCCCC3)cc2)cc1 ZINC000071319038 562718705 /nfs/dbraw/zinc/71/87/05/562718705.db2.gz WSCLZQFXVHSGBN-UHFFFAOYSA-N 2 1 512.738 7.365 1 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072128632 562726131 /nfs/dbraw/zinc/72/61/31/562726131.db2.gz ADDCSLGAZPGRHH-GZXHTMMISA-N 3 1 674.765 6.574 3 0 KKAFMP CC[C@@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[NH+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727243 /nfs/dbraw/zinc/72/72/43/562727243.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 2 1 614.834 6.599 1 0 KKAFMP CC[C@@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[N@H+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727244 /nfs/dbraw/zinc/72/72/44/562727244.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 2 1 614.834 6.599 1 0 KKAFMP CC[C@@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[N@@H+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727245 /nfs/dbraw/zinc/72/72/45/562727245.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 2 1 614.834 6.599 1 0 KKAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1cccc(C[NH2+]CCc3c(Cl)cccc3Cl)c1)ccc2O ZINC000073197318 562735331 /nfs/dbraw/zinc/73/53/31/562735331.db2.gz CUTIFGVDJCARNG-UHFFFAOYSA-N 2 1 516.494 5.309 1 0 KKAFMP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390989 562738618 /nfs/dbraw/zinc/73/86/18/562738618.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 2 1 576.693 6.831 1 0 KKAFMP CN1CC[NH+](CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150195 562739802 /nfs/dbraw/zinc/73/98/02/562739802.db2.gz FFFZTEDRBPFNSJ-JATAFJLTSA-N 2 1 529.769 5.532 1 0 KKAFMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(CC[NH2+]CCc2ccc(O)c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082159892 562741155 /nfs/dbraw/zinc/74/11/55/562741155.db2.gz NUHRBFJHZFLLAI-JOCHJYFZSA-N 2 1 523.702 6.188 1 0 KKAFMP C/C=C1/C[N@@H+]2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[NH+]1C ZINC000082175034 562741608 /nfs/dbraw/zinc/74/16/08/562741608.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 2 1 642.844 6.121 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[N@H+]1C ZINC000082175034 562741609 /nfs/dbraw/zinc/74/16/09/562741609.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 2 1 642.844 6.121 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[N@@H+]1C ZINC000082175034 562741610 /nfs/dbraw/zinc/74/16/10/562741610.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 2 1 642.844 6.121 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084652106 562746397 /nfs/dbraw/zinc/74/63/97/562746397.db2.gz ZFCWOHLERVDCGH-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP Fc1ccccc1-c1c(-c2ccc(OCC[NH+]3CCCC3)cc2)[nH]c2nc[nH+]c(NC[C@@H]3CCCO3)c21 ZINC000084732634 562751830 /nfs/dbraw/zinc/75/18/30/562751830.db2.gz OHODOVUZCVKHQS-QFIPXVFZSA-N 2 1 501.606 5.497 1 0 KKAFMP CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758696 562752713 /nfs/dbraw/zinc/75/27/13/562752713.db2.gz IAADTHQACMECFU-MHZLTWQESA-N 2 1 590.843 9.069 1 0 KKAFMP COc1c(Br)cc(C[C@@H](C(=O)NCCc2cc(Br)c(OCCC[NH+](C)C)c(Br)c2)[NH+](C)C)cc1Br ZINC000085735493 562753357 /nfs/dbraw/zinc/75/33/57/562753357.db2.gz OZOVQXJIZUQCKN-QFIPXVFZSA-N 2 1 743.173 5.907 1 0 KKAFMP CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)COC(C)=O)C2 ZINC000095541584 562756202 /nfs/dbraw/zinc/75/62/02/562756202.db2.gz ZCFTWKXLYZQADI-WIKZPUGXSA-N 2 1 807.001 5.186 1 0 KKAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)COC(C)=O)C2 ZINC000095541584 562756203 /nfs/dbraw/zinc/75/62/03/562756203.db2.gz ZCFTWKXLYZQADI-WIKZPUGXSA-N 2 1 807.001 5.186 1 0 KKAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)COC(C)=O)C2 ZINC000095541584 562756204 /nfs/dbraw/zinc/75/62/04/562756204.db2.gz ZCFTWKXLYZQADI-WIKZPUGXSA-N 2 1 807.001 5.186 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@@H]2[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[N@H+](C2)CCc2c3ccccc3[nH]c21 ZINC000095544812 562757873 /nfs/dbraw/zinc/75/78/73/562757873.db2.gz NTTGUMWDZZVUST-CWKXOIMDSA-N 2 1 807.001 5.186 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@@H]2[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[NH+](C2)CCc2c3ccccc3[nH]c21 ZINC000095544812 562757874 /nfs/dbraw/zinc/75/78/74/562757874.db2.gz NTTGUMWDZZVUST-CWKXOIMDSA-N 2 1 807.001 5.186 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@@H]2[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[NH+](C2)CCc2c3ccccc3[nH]c21 ZINC000095544812 562757875 /nfs/dbraw/zinc/75/78/75/562757875.db2.gz NTTGUMWDZZVUST-CWKXOIMDSA-N 2 1 807.001 5.186 1 0 KKAFMP [NH3+]CCCC[C@H]([NH2+][C@H](CNC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095566178 562764801 /nfs/dbraw/zinc/76/48/01/562764801.db2.gz CYCNYYNEUAPXDZ-BAOFOTJISA-N 2 1 769.822 7.124 1 0 KKAFMP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCCOCC[N@@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095586328 562773968 /nfs/dbraw/zinc/77/39/68/562773968.db2.gz KMLBRIUEBQEFIQ-UHFFFAOYSA-N 2 1 646.920 7.537 1 0 KKAFMP COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@H+](CC2CCCCC2)[C@@H]1CO ZINC000095666479 562788288 /nfs/dbraw/zinc/78/82/88/562788288.db2.gz XKHKGEXEYHPOPX-RUZDIDTESA-N 2 1 508.732 5.107 1 0 KKAFMP COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@@H+](CC2CCCCC2)[C@@H]1CO ZINC000095666479 562788289 /nfs/dbraw/zinc/78/82/89/562788289.db2.gz XKHKGEXEYHPOPX-RUZDIDTESA-N 2 1 508.732 5.107 1 0 KKAFMP CC[N@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284377 562795142 /nfs/dbraw/zinc/79/51/42/562795142.db2.gz DRWIINODRIXUJU-PMERELPUSA-N 2 1 537.708 5.622 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096902197 562797256 /nfs/dbraw/zinc/79/72/56/562797256.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 2 1 802.921 8.399 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096902197 562797257 /nfs/dbraw/zinc/79/72/57/562797257.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 2 1 802.921 8.399 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096902197 562797258 /nfs/dbraw/zinc/79/72/58/562797258.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 2 1 802.921 8.399 1 0 KKAFMP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)CC[NH+]5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938703 562804560 /nfs/dbraw/zinc/80/45/60/562804560.db2.gz NLLOFMHRMXITTH-NTCAYCPXSA-N 2 1 594.735 5.262 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100034001 562806255 /nfs/dbraw/zinc/80/62/55/562806255.db2.gz IYIDBWPTUDDXMP-VJUFCSDWSA-N 2 1 602.820 6.497 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000101193291 562809816 /nfs/dbraw/zinc/80/98/16/562809816.db2.gz IOYLAJJIHILCGL-KUMHGWDASA-N 2 1 508.714 5.860 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000101193291 562809817 /nfs/dbraw/zinc/80/98/17/562809817.db2.gz IOYLAJJIHILCGL-KUMHGWDASA-N 2 1 508.714 5.860 1 0 KKAFMP CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511139 562811143 /nfs/dbraw/zinc/81/11/43/562811143.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 2 1 611.781 6.702 1 0 KKAFMP CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511139 562811144 /nfs/dbraw/zinc/81/11/44/562811144.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 2 1 611.781 6.702 1 0 KKAFMP COC[C@@H]1CCC[N@H+]1CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1nn(C(C)C)c3ccccc31)C2 ZINC000101514814 562811190 /nfs/dbraw/zinc/81/11/90/562811190.db2.gz VOPUYPPXVMIQOA-QYOOZWMWSA-N 2 1 509.739 5.014 1 0 KKAFMP COC[C@@H]1CCC[NH+]1CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1nn(C(C)C)c3ccccc31)C2 ZINC000101514814 562811191 /nfs/dbraw/zinc/81/11/91/562811191.db2.gz VOPUYPPXVMIQOA-QYOOZWMWSA-N 2 1 509.739 5.014 1 0 KKAFMP COC[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1nn(C(C)C)c3ccccc31)C2 ZINC000101514814 562811192 /nfs/dbraw/zinc/81/11/92/562811192.db2.gz VOPUYPPXVMIQOA-QYOOZWMWSA-N 2 1 509.739 5.014 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000101641640 562811470 /nfs/dbraw/zinc/81/14/70/562811470.db2.gz SBQOMISLKZTLHT-KUMHGWDASA-N 2 1 512.742 6.509 1 0 KKAFMP CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000114037977 562827218 /nfs/dbraw/zinc/82/72/18/562827218.db2.gz DYIDCYKYUPJJTQ-SZPZYZBQSA-N 2 1 522.089 6.927 1 0 KKAFMP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)CC=C([C@H]97)[C@H]7C[C@@H]8[NH+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169293801 562852184 /nfs/dbraw/zinc/85/21/84/562852184.db2.gz YUHHQTGJEOQYDV-RARADXCZSA-N 2 1 634.824 5.656 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)CC=C([C@H]97)[C@H]7C[C@@H]8[N@@H+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169293801 562852185 /nfs/dbraw/zinc/85/21/85/562852185.db2.gz YUHHQTGJEOQYDV-RARADXCZSA-N 2 1 634.824 5.656 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)CC=C([C@H]97)[C@H]7C[C@@H]8[N@H+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169293801 562852186 /nfs/dbraw/zinc/85/21/86/562852186.db2.gz YUHHQTGJEOQYDV-RARADXCZSA-N 2 1 634.824 5.656 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cccc(I)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294389 562852233 /nfs/dbraw/zinc/85/22/33/562852233.db2.gz MCILZGJGLFRYOH-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(I)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294389 562852234 /nfs/dbraw/zinc/85/22/34/562852234.db2.gz MCILZGJGLFRYOH-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(I)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294389 562852235 /nfs/dbraw/zinc/85/22/35/562852235.db2.gz MCILZGJGLFRYOH-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@H]2[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[N@H+](C2)CCc2c3ccccc3[nH]c21 ZINC000169296845 562852473 /nfs/dbraw/zinc/85/24/73/562852473.db2.gz NTTGUMWDZZVUST-PDYBWOMTSA-N 2 1 807.001 5.186 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@H]2[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[NH+](C2)CCc2c3ccccc3[nH]c21 ZINC000169296845 562852474 /nfs/dbraw/zinc/85/24/74/562852474.db2.gz NTTGUMWDZZVUST-PDYBWOMTSA-N 2 1 807.001 5.186 1 0 KKAFMP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@H]2[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[NH+](C2)CCc2c3ccccc3[nH]c21 ZINC000169296845 562852475 /nfs/dbraw/zinc/85/24/75/562852475.db2.gz NTTGUMWDZZVUST-PDYBWOMTSA-N 2 1 807.001 5.186 1 0 KKAFMP 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+]CCCCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302339 562853067 /nfs/dbraw/zinc/85/30/67/562853067.db2.gz IKYLACVAYTVFFR-GEYONVIFSA-N 2 1 708.384 8.397 1 0 KKAFMP CCNc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317820 562856036 /nfs/dbraw/zinc/85/60/36/562856036.db2.gz IWYTUWMBDRWLJL-SHQCIBLASA-N 2 1 502.577 6.019 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3 ZINC000195515666 562872112 /nfs/dbraw/zinc/87/21/12/562872112.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@H](C2)[NH+](C)CC4)OCO3 ZINC000195515666 562872113 /nfs/dbraw/zinc/87/21/13/562872113.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@H](C2)[NH+](C)CC4)OCO3 ZINC000195515666 562872114 /nfs/dbraw/zinc/87/21/14/562872114.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000203981706 562874193 /nfs/dbraw/zinc/87/41/93/562874193.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 2 1 550.099 6.306 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000203981706 562874194 /nfs/dbraw/zinc/87/41/94/562874194.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 2 1 550.099 6.306 1 0 KKAFMP C[N@@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159082 562902568 /nfs/dbraw/zinc/90/25/68/562902568.db2.gz FSMBHEMODIQLKR-CYWCHRQTSA-N 2 1 542.507 5.824 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H]([NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473200915 562903828 /nfs/dbraw/zinc/90/38/28/562903828.db2.gz KVYXBFBBJZWCIX-HZCBDIJESA-N 2 1 520.073 6.103 1 0 KKAFMP COc1ccc(COc2ccc(Cn3c[nH+]c4cc(N5CCC(C(C)(C)[NH3+])CC5)ccc43)cc2OC)cn1 ZINC000473215371 562903993 /nfs/dbraw/zinc/90/39/93/562903993.db2.gz JVLYHJYNLHAPID-UHFFFAOYSA-N 2 1 515.658 5.030 1 0 KKAFMP COCCOCCOCC[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 ZINC000473215530 562904128 /nfs/dbraw/zinc/90/41/28/562904128.db2.gz YZANRAPUIYAEBV-WHGLRBHNSA-N 2 1 592.869 6.422 1 0 KKAFMP COCCOCCOCC[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215530 562904129 /nfs/dbraw/zinc/90/41/29/562904129.db2.gz YZANRAPUIYAEBV-WHGLRBHNSA-N 2 1 592.869 6.422 1 0 KKAFMP COCCOCCOCC[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215530 562904130 /nfs/dbraw/zinc/90/41/30/562904130.db2.gz YZANRAPUIYAEBV-WHGLRBHNSA-N 2 1 592.869 6.422 1 0 KKAFMP 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)OC)C2 ZINC000653733700 562909565 /nfs/dbraw/zinc/90/95/65/562909565.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 2 1 616.850 6.967 1 0 KKAFMP CC[C@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)OC)C2 ZINC000653733700 562909566 /nfs/dbraw/zinc/90/95/66/562909566.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 2 1 616.850 6.967 1 0 KKAFMP CC[C@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)OC)C2 ZINC000653733700 562909567 /nfs/dbraw/zinc/90/95/67/562909567.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 2 1 616.850 6.967 1 0 KKAFMP COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(C[NH2+][C@H](C)c4ccccc4)cc32)cc1 ZINC000653795332 562913038 /nfs/dbraw/zinc/91/30/38/562913038.db2.gz FIWGCKWZHPCZCZ-AREMUKBSSA-N 2 1 578.782 6.569 1 0 KKAFMP COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085900422 565170406 /nfs/dbraw/zinc/17/04/06/565170406.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2ccc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000085900422 565170413 /nfs/dbraw/zinc/17/04/13/565170413.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2ccc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000085900422 565170420 /nfs/dbraw/zinc/17/04/20/565170420.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP CCCC[N@H+](Cc1ccccc1)C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000003942655 561689568 /nfs/dbraw/zinc/68/95/68/561689568.db2.gz CNCKCYYECLIANE-UMSFTDKQSA-N 2 1 592.844 6.290 1 0 KKAFMP [NH3+]CCC[N@@H+](CCCC[NH+](CCC[NH2+]CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 ZINC000026567443 561797315 /nfs/dbraw/zinc/79/73/15/561797315.db2.gz LANXXLZXYCTYJS-UHFFFAOYSA-N 4 1 556.883 6.598 1 0 KKAFMP [NH3+]CCC[NH+](CCCC[N@H+](CCC[NH2+]CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 ZINC000026567443 561797316 /nfs/dbraw/zinc/79/73/16/561797316.db2.gz LANXXLZXYCTYJS-UHFFFAOYSA-N 4 1 556.883 6.598 1 0 KKAFMP [NH3+]CCC[NH+](CCCC[N@@H+](CCC[NH2+]CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 ZINC000026567443 561797318 /nfs/dbraw/zinc/79/73/18/561797318.db2.gz LANXXLZXYCTYJS-UHFFFAOYSA-N 4 1 556.883 6.598 1 0 KKAFMP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580193 561805632 /nfs/dbraw/zinc/80/56/32/561805632.db2.gz AJLJWJGSCGGSNQ-WMPKNSHKSA-N 2 1 544.740 6.084 1 0 KKAFMP CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580193 561805634 /nfs/dbraw/zinc/80/56/34/561805634.db2.gz AJLJWJGSCGGSNQ-WMPKNSHKSA-N 2 1 544.740 6.084 1 0 KKAFMP CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580193 561805636 /nfs/dbraw/zinc/80/56/36/561805636.db2.gz AJLJWJGSCGGSNQ-WMPKNSHKSA-N 2 1 544.740 6.084 1 0 KKAFMP COc1ccc(C[NH2+]Cc2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)cc1 ZINC000026673355 561813117 /nfs/dbraw/zinc/81/31/17/561813117.db2.gz BNVVVBACQMXBRV-UHFFFAOYSA-N 2 1 544.099 6.355 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673352 561813132 /nfs/dbraw/zinc/81/31/32/561813132.db2.gz HTUOQHKWGZYQEG-UHFFFAOYSA-N 2 1 582.070 7.365 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739795 561817889 /nfs/dbraw/zinc/81/78/89/561817889.db2.gz RISRWZCCASMJER-QWKHHPMFSA-N 2 1 718.986 8.569 1 0 KKAFMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739795 561817890 /nfs/dbraw/zinc/81/78/90/561817890.db2.gz RISRWZCCASMJER-QWKHHPMFSA-N 2 1 718.986 8.569 1 0 KKAFMP O=C([C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739795 561817891 /nfs/dbraw/zinc/81/78/91/561817891.db2.gz RISRWZCCASMJER-QWKHHPMFSA-N 2 1 718.986 8.569 1 0 KKAFMP Cn1nnc(-c2ccc(CCCC3(O)CC[NH+](C[C@H]4C[N@@H+](CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000026819171 561820880 /nfs/dbraw/zinc/82/08/80/561820880.db2.gz VRWSWNLSRFRDDD-AJQTZOPKSA-N 2 1 556.799 5.323 1 0 KKAFMP OC1(CCCc2ccc(Cc3nn[nH]n3)cc2)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821331 /nfs/dbraw/zinc/82/13/31/561821331.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 2 1 556.799 5.236 1 0 KKAFMP C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027182906 561841999 /nfs/dbraw/zinc/84/19/99/561841999.db2.gz IGUYTIRBNXFBHY-QHCPKHFHSA-N 2 1 665.766 6.125 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421188 561857652 /nfs/dbraw/zinc/85/76/52/561857652.db2.gz XWGIRFFCAHGQSB-ZRSDQMEDSA-N 2 1 682.262 5.006 1 0 KKAFMP Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CCCCCC[N@@H+]1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3 ZINC000027559552 561870296 /nfs/dbraw/zinc/87/02/96/561870296.db2.gz VPHSDAYKTKNSSR-VMRXFDFMSA-N 2 1 568.846 7.475 1 0 KKAFMP Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CC[NH+](C)CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027560979 561870715 /nfs/dbraw/zinc/87/07/15/561870715.db2.gz FKGXUHCXAYJWCH-UHFFFAOYSA-N 2 1 554.735 6.059 1 0 KKAFMP C[N@H+]1CC[C@H](CCOc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027864419 561887533 /nfs/dbraw/zinc/88/75/33/561887533.db2.gz MASBGBPFFXRYDV-HHHXNRCGSA-N 2 1 540.773 7.354 1 0 KKAFMP C[N@H+]1CC[C@@H](CCOc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027864412 561887553 /nfs/dbraw/zinc/88/75/53/561887553.db2.gz MASBGBPFFXRYDV-MHZLTWQESA-N 2 1 540.773 7.354 1 0 KKAFMP CCn1nc(-c2ccc(C[NH3+])cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011792 561896563 /nfs/dbraw/zinc/89/65/63/561896563.db2.gz YJMFAXOJBXHJLD-GTXBZULCSA-N 2 1 583.821 5.957 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112536 561903288 /nfs/dbraw/zinc/90/32/88/561903288.db2.gz NLMFMSDGYBOUTF-HXUWFJFHSA-N 2 1 572.408 7.546 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000028113397 561903390 /nfs/dbraw/zinc/90/33/90/561903390.db2.gz JLGKUPJDEGSXJD-OAQYLSRUSA-N 2 1 571.515 7.258 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028114599 561903471 /nfs/dbraw/zinc/90/34/71/561903471.db2.gz XWTXCJZHFFXBFP-NRFANRHFSA-N 2 1 571.515 7.258 1 0 KKAFMP COc1c2cc3c(c1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1cc3c(c(OC)c1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)O2 ZINC000028115907 561903721 /nfs/dbraw/zinc/90/37/21/561903721.db2.gz MTOVAEJFHDLHAG-ROJLCIKYSA-N 2 1 622.762 7.162 1 0 KKAFMP COc1cccc(NC(=O)NC[C@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028115771 561903796 /nfs/dbraw/zinc/90/37/96/561903796.db2.gz AUAOCEZREQZZSP-QFIPXVFZSA-N 2 1 533.544 6.248 1 0 KKAFMP Cc1cccc(NC(=O)NC[C@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Cl)c(Cl)c2)c1 ZINC000028117629 561904124 /nfs/dbraw/zinc/90/41/24/561904124.db2.gz KIGNGGYJNXGYFO-QHCPKHFHSA-N 2 1 517.545 6.548 1 0 KKAFMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028382483 561920409 /nfs/dbraw/zinc/92/04/09/561920409.db2.gz ZJSAQJKAZJAADM-UHFFFAOYSA-N 2 1 685.212 8.003 1 0 KKAFMP C[N@H+](Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374712 561918980 /nfs/dbraw/zinc/91/89/80/561918980.db2.gz JJBDKVDIKZJYDD-VSJLXWSYSA-N 2 1 636.240 5.063 1 0 KKAFMP C[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374712 561918981 /nfs/dbraw/zinc/91/89/81/561918981.db2.gz JJBDKVDIKZJYDD-VSJLXWSYSA-N 2 1 636.240 5.063 1 0 KKAFMP CCC[NH+](CCC)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1 ZINC000028528328 561932896 /nfs/dbraw/zinc/93/28/96/561932896.db2.gz KHNUKPJNDHSXDI-DFOKCWARSA-N 2 1 656.315 5.410 1 0 KKAFMP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[N@H+]4CC[C@H](O)C4)c3)C[C@@H]2C1)C(C)C ZINC000028650157 561945926 /nfs/dbraw/zinc/94/59/26/561945926.db2.gz BDQHGDPMNLDROP-MKJAEOQWSA-N 2 1 585.208 6.509 1 0 KKAFMP CCCCN(CCCC)C(=O)c1ccc2[nH+]c(Nc3cc(OC)c(OC)c(OC)c3)n(CCC[NH3+])c2c1 ZINC000028823349 561967971 /nfs/dbraw/zinc/96/79/71/561967971.db2.gz XSNJFUJYXXEUEX-UHFFFAOYSA-N 2 1 511.667 5.197 1 0 KKAFMP COC(=O)c1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953994 561982758 /nfs/dbraw/zinc/98/27/58/561982758.db2.gz BUAHBVOJSQIEGK-JSOSNVBQSA-N 2 1 595.228 5.187 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3CCCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000029042152 561991348 /nfs/dbraw/zinc/99/13/48/561991348.db2.gz NDTBNCBZGFIGSO-BZVYYCGGSA-N 2 1 550.791 7.080 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3CCCCCC[N@@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000029042152 561991349 /nfs/dbraw/zinc/99/13/49/561991349.db2.gz NDTBNCBZGFIGSO-BZVYYCGGSA-N 2 1 550.791 7.080 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3CCCCCC[N@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000029042152 561991350 /nfs/dbraw/zinc/99/13/50/561991350.db2.gz NDTBNCBZGFIGSO-BZVYYCGGSA-N 2 1 550.791 7.080 1 0 KKAFMP O=C1c2ccccc2C(=O)N1CCC[NH+](CCCCCC[N@H+](CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1)C1CCCCC1 ZINC000029205294 562005035 /nfs/dbraw/zinc/00/50/35/562005035.db2.gz IPFHFZGETVWVEB-UHFFFAOYSA-N 2 1 654.896 7.189 1 0 KKAFMP CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029480718 562027254 /nfs/dbraw/zinc/02/72/54/562027254.db2.gz LTWFJGXDTKTBLB-BCRBLDSWSA-N 2 1 626.886 6.030 1 0 KKAFMP CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029480718 562027256 /nfs/dbraw/zinc/02/72/56/562027256.db2.gz LTWFJGXDTKTBLB-BCRBLDSWSA-N 2 1 626.886 6.030 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCCC1 ZINC000029476948 562026510 /nfs/dbraw/zinc/02/65/10/562026510.db2.gz MIAPIEQESUEHIA-ZAQUEYBZSA-N 2 1 666.951 7.001 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546384 562029970 /nfs/dbraw/zinc/02/99/70/562029970.db2.gz KTCPZYZGBDYZCM-MEKGRNQZSA-N 2 1 546.800 5.514 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(C[NH+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546384 562029971 /nfs/dbraw/zinc/02/99/71/562029971.db2.gz KTCPZYZGBDYZCM-MEKGRNQZSA-N 2 1 546.800 5.514 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(C[NH+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546384 562029974 /nfs/dbraw/zinc/02/99/74/562029974.db2.gz KTCPZYZGBDYZCM-MEKGRNQZSA-N 2 1 546.800 5.514 1 0 KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000036294965 562054836 /nfs/dbraw/zinc/05/48/36/562054836.db2.gz QJEHMTISNSKIMA-FHUMEZSESA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000036294965 562054838 /nfs/dbraw/zinc/05/48/38/562054838.db2.gz QJEHMTISNSKIMA-FHUMEZSESA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000036294965 562054839 /nfs/dbraw/zinc/05/48/39/562054839.db2.gz QJEHMTISNSKIMA-FHUMEZSESA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351650 562058804 /nfs/dbraw/zinc/05/88/04/562058804.db2.gz CUWOXHKJMDGMKB-MGBGTMOVSA-N 2 1 630.582 8.872 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351650 562058805 /nfs/dbraw/zinc/05/88/05/562058805.db2.gz CUWOXHKJMDGMKB-MGBGTMOVSA-N 2 1 630.582 8.872 1 0 KKAFMP CCCCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000040374809 562073242 /nfs/dbraw/zinc/07/32/42/562073242.db2.gz IKZKJTZSLURQHH-KYJUHHDHSA-N 2 1 526.810 5.408 1 0 KKAFMP CCCCCCN(C)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000040434140 562077046 /nfs/dbraw/zinc/07/70/46/562077046.db2.gz VASSRGYVSNRJNX-ACHIHNKUSA-N 2 1 554.864 6.188 1 0 KKAFMP CC1CC[NH+]([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000040563994 562077766 /nfs/dbraw/zinc/07/77/66/562077766.db2.gz GWEWFPMLAGKWMJ-URLMMPGGSA-N 2 1 534.144 6.978 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805515 562089188 /nfs/dbraw/zinc/08/91/88/562089188.db2.gz JUIDNHMRFHXGSO-QXGCHBAUSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[N@@H+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805515 562089189 /nfs/dbraw/zinc/08/91/89/562089189.db2.gz JUIDNHMRFHXGSO-QXGCHBAUSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[N@H+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805515 562089190 /nfs/dbraw/zinc/08/91/90/562089190.db2.gz JUIDNHMRFHXGSO-QXGCHBAUSA-N 2 1 624.914 7.057 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3[NH+](C)CC2 ZINC000095909661 560059555 /nfs/dbraw/zinc/05/95/55/560059555.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 2 1 594.708 6.556 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3[N@H+](C)CC2 ZINC000095909661 560059556 /nfs/dbraw/zinc/05/95/56/560059556.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 2 1 594.708 6.556 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3[N@@H+](C)CC2 ZINC000095909661 560059557 /nfs/dbraw/zinc/05/95/57/560059557.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 2 1 594.708 6.556 1 0 biogenic,in-vitro KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043382070 562648195 /nfs/dbraw/zinc/64/81/95/562648195.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 2 1 510.744 6.624 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043382070 562648196 /nfs/dbraw/zinc/64/81/96/562648196.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 2 1 510.744 6.624 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043382070 562648197 /nfs/dbraw/zinc/64/81/97/562648197.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 2 1 510.744 6.624 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043511664 562648791 /nfs/dbraw/zinc/64/87/91/562648791.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 2 1 510.744 6.624 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043511664 562648792 /nfs/dbraw/zinc/64/87/92/562648792.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 2 1 510.744 6.624 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043511664 562648793 /nfs/dbraw/zinc/64/87/93/562648793.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 2 1 510.744 6.624 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cn3)nc2c1 ZINC000044351291 562654598 /nfs/dbraw/zinc/65/45/98/562654598.db2.gz QXKBXHIDQJARQS-UHFFFAOYSA-N 2 1 583.744 6.600 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)nc4)cc3)nc2c1 ZINC000044351291 562654599 /nfs/dbraw/zinc/65/45/99/562654599.db2.gz QXKBXHIDQJARQS-UHFFFAOYSA-N 2 1 583.744 6.600 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Nc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044352157 562655035 /nfs/dbraw/zinc/65/50/35/562655035.db2.gz XRCMHCAKQBAGNJ-UHFFFAOYSA-N 2 1 569.717 7.164 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044430443 562657503 /nfs/dbraw/zinc/65/75/03/562657503.db2.gz ZDCKQLSERMUBOK-JIBXKPLWSA-N 2 1 532.725 5.456 1 0 KKAFMP CC(C)[NH+]1CCC(Oc2ccc(C[NH+]3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168978 562658218 /nfs/dbraw/zinc/65/82/18/562658218.db2.gz HTHWWQRUXVIKQR-JGCGQSQUSA-N 2 1 518.145 6.499 1 0 KKAFMP O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045190428 562658502 /nfs/dbraw/zinc/65/85/02/562658502.db2.gz RFOZKIJTQIPXTD-HKBQPEDESA-N 2 1 511.710 5.542 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)/C=C/c3ccccc3)cc2)c1 ZINC000045202341 562659155 /nfs/dbraw/zinc/65/91/55/562659155.db2.gz HATWFWUXXJBHQL-OBGWFSINSA-N 2 1 538.780 5.779 1 0 KKAFMP c1cc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)oc1C[NH2+]CCN1CCOCC1 ZINC000045226686 562659379 /nfs/dbraw/zinc/65/93/79/562659379.db2.gz VBSIYFLNTMIVQC-UHFFFAOYSA-N 2 1 521.621 5.848 1 0 KKAFMP COCC[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)CC1 ZINC000045325071 562661219 /nfs/dbraw/zinc/66/12/19/562661219.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 2 1 512.098 5.066 1 0 KKAFMP COCC[NH+]1CCC(C[N@H+](C)CC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)CC1 ZINC000045325071 562661220 /nfs/dbraw/zinc/66/12/20/562661220.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 2 1 512.098 5.066 1 0 KKAFMP COCC[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)CC1 ZINC000045325071 562661221 /nfs/dbraw/zinc/66/12/21/562661221.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 2 1 512.098 5.066 1 0 KKAFMP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067592 562663982 /nfs/dbraw/zinc/66/39/82/562663982.db2.gz WHPDQMKLUXKLEA-PMERELPUSA-N 2 1 502.666 5.765 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)c(Cl)c2)C1 ZINC000049625450 562666786 /nfs/dbraw/zinc/66/67/86/562666786.db2.gz PDBJQLQISVCQIY-AHWVRZQESA-N 2 1 585.214 5.420 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)c(Cl)c2)C1 ZINC000049625450 562666787 /nfs/dbraw/zinc/66/67/87/562666787.db2.gz PDBJQLQISVCQIY-AHWVRZQESA-N 2 1 585.214 5.420 1 0 KKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667038 /nfs/dbraw/zinc/66/70/38/562667038.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 2 1 547.669 6.375 1 0 KKAFMP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667039 /nfs/dbraw/zinc/66/70/39/562667039.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 2 1 547.669 6.375 1 0 KKAFMP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667040 /nfs/dbraw/zinc/66/70/40/562667040.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 2 1 547.669 6.375 1 0 KKAFMP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000049639366 562667724 /nfs/dbraw/zinc/66/77/24/562667724.db2.gz RISRWZCCASMJER-ZYBCLOSLSA-N 2 1 718.986 8.569 1 0 KKAFMP CC[C@@]1(O)CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000049708865 562671111 /nfs/dbraw/zinc/67/11/11/562671111.db2.gz LDTWLIQWOQZVHX-OAKKBAFNSA-N 2 1 610.843 6.536 1 0 KKAFMP CC[C@@]1(O)CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000049708865 562671112 /nfs/dbraw/zinc/67/11/12/562671112.db2.gz LDTWLIQWOQZVHX-OAKKBAFNSA-N 2 1 610.843 6.536 1 0 KKAFMP Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCC[NH2+][C@@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710594 562671764 /nfs/dbraw/zinc/67/17/64/562671764.db2.gz ZDEPMBSNSMMZEB-RTBURBONSA-N 2 1 652.067 6.720 1 0 KKAFMP CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761806 562676144 /nfs/dbraw/zinc/67/61/44/562676144.db2.gz XMKYPYRPWJRORL-PNGMXGABSA-N 2 1 605.827 6.814 1 0 KKAFMP CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761806 562676145 /nfs/dbraw/zinc/67/61/45/562676145.db2.gz XMKYPYRPWJRORL-PNGMXGABSA-N 2 1 605.827 6.814 1 0 KKAFMP CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761806 562676146 /nfs/dbraw/zinc/67/61/46/562676146.db2.gz XMKYPYRPWJRORL-PNGMXGABSA-N 2 1 605.827 6.814 1 0 KKAFMP CCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049761967 562676226 /nfs/dbraw/zinc/67/62/26/562676226.db2.gz LWBWIASRNRMFOK-OKXLTDPZSA-N 2 1 647.908 7.985 1 0 KKAFMP CCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049761967 562676227 /nfs/dbraw/zinc/67/62/27/562676227.db2.gz LWBWIASRNRMFOK-OKXLTDPZSA-N 2 1 647.908 7.985 1 0 KKAFMP CCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049761967 562676228 /nfs/dbraw/zinc/67/62/28/562676228.db2.gz LWBWIASRNRMFOK-OKXLTDPZSA-N 2 1 647.908 7.985 1 0 KKAFMP Oc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771180 562678012 /nfs/dbraw/zinc/67/80/12/562678012.db2.gz RBDJNSDRHVXHEQ-MXGQMUSSSA-N 3 1 671.974 5.756 1 0 KKAFMP Oc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771180 562678013 /nfs/dbraw/zinc/67/80/13/562678013.db2.gz RBDJNSDRHVXHEQ-MXGQMUSSSA-N 3 1 671.974 5.756 1 0 KKAFMP Oc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771180 562678014 /nfs/dbraw/zinc/67/80/14/562678014.db2.gz RBDJNSDRHVXHEQ-MXGQMUSSSA-N 3 1 671.974 5.756 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049780080 562681312 /nfs/dbraw/zinc/68/13/12/562681312.db2.gz ZHNVEXZKXNWTHM-NRVMUHNNSA-N 3 1 725.911 7.980 1 0 KKAFMP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780087 562681370 /nfs/dbraw/zinc/68/13/70/562681370.db2.gz RMUPNRJFGFALOJ-QCHNSLHVSA-N 3 1 685.846 7.200 1 0 KKAFMP CC(C)[C@@H](C[N@H+]1CCC[C@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[NH+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780539 562681861 /nfs/dbraw/zinc/68/18/61/562681861.db2.gz KKVYINJCGJEOEP-IJERZTCISA-N 3 1 607.931 5.464 1 0 KKAFMP CC(C)[C@@H](C[NH+]1CCC[C@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[N@H+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780539 562681862 /nfs/dbraw/zinc/68/18/62/562681862.db2.gz KKVYINJCGJEOEP-IJERZTCISA-N 3 1 607.931 5.464 1 0 KKAFMP CC(C)[C@@H](C[NH+]1CCC[C@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[N@@H+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780539 562681863 /nfs/dbraw/zinc/68/18/63/562681863.db2.gz KKVYINJCGJEOEP-IJERZTCISA-N 3 1 607.931 5.464 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[NH+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793624 562685029 /nfs/dbraw/zinc/68/50/29/562685029.db2.gz FLZIGWGEPLAQCW-QNGWXLTQSA-N 2 1 623.879 6.115 1 0 KKAFMP COc1ccc(CC[NH+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[N@H+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793624 562685030 /nfs/dbraw/zinc/68/50/30/562685030.db2.gz FLZIGWGEPLAQCW-QNGWXLTQSA-N 2 1 623.879 6.115 1 0 KKAFMP COc1ccc(CC[NH+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[N@@H+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793624 562685031 /nfs/dbraw/zinc/68/50/31/562685031.db2.gz FLZIGWGEPLAQCW-QNGWXLTQSA-N 2 1 623.879 6.115 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+] ZINC000049802961 562686003 /nfs/dbraw/zinc/68/60/03/562686003.db2.gz KFACEZJIBWZGJP-YKKXUYLKSA-N 3 1 659.967 6.647 1 0 KKAFMP O=C(C[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4cccc(NC(=O)C[NH+]5CCCC5)c4)c3)c2)c1 ZINC000049872455 562690010 /nfs/dbraw/zinc/69/00/10/562690010.db2.gz BUSJLCMEQHLGHG-UHFFFAOYSA-N 2 1 702.816 5.904 1 0 KKAFMP CC(C)[NH+](CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C ZINC000049889202 562691881 /nfs/dbraw/zinc/69/18/81/562691881.db2.gz DWDYTNBJCKOHTA-UHFFFAOYSA-N 2 1 593.643 7.343 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049917947 562694176 /nfs/dbraw/zinc/69/41/76/562694176.db2.gz SEOXZFYESRVXQQ-UHFFFAOYSA-N 2 1 603.236 6.425 1 0 KKAFMP COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000055749964 562697769 /nfs/dbraw/zinc/69/77/69/562697769.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000055749964 562697770 /nfs/dbraw/zinc/69/77/70/562697770.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000055749964 562697771 /nfs/dbraw/zinc/69/77/71/562697771.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000055749964 562697772 /nfs/dbraw/zinc/69/77/72/562697772.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000058600009 562700861 /nfs/dbraw/zinc/70/08/61/562700861.db2.gz KBMKKADZRZDNII-ILJQZKEFSA-N 2 1 624.821 5.213 1 0 KKAFMP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000064633626 562708952 /nfs/dbraw/zinc/70/89/52/562708952.db2.gz DOVNDOSDULTCGE-LBRLCBGXSA-N 2 1 624.821 5.213 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073967 562709607 /nfs/dbraw/zinc/70/96/07/562709607.db2.gz OXHFCAMGABAVGJ-MGBGTMOVSA-N 2 1 606.815 6.000 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074417 562709870 /nfs/dbraw/zinc/70/98/70/562709870.db2.gz HHPXXUVAVCXMQF-WJOKGBTCSA-N 2 1 631.652 6.909 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074417 562709871 /nfs/dbraw/zinc/70/98/71/562709871.db2.gz HHPXXUVAVCXMQF-WJOKGBTCSA-N 2 1 631.652 6.909 1 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123356 562712466 /nfs/dbraw/zinc/71/24/66/562712466.db2.gz ZEXXHGZCQOTQRI-REAZVSRJSA-N 3 1 612.694 5.597 3 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123546 562712511 /nfs/dbraw/zinc/71/25/11/562712511.db2.gz OWSMUBKIKILYGC-RZZQBKOKSA-N 3 1 578.677 5.401 3 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066138773 562713374 /nfs/dbraw/zinc/71/33/74/562713374.db2.gz ZVEYVJHSYHNOSH-OZIPUQOZSA-N 3 1 640.748 6.378 3 0 KKAFMP C[N@H+](CC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330165 562719084 /nfs/dbraw/zinc/71/90/84/562719084.db2.gz QJIHBQHUALITFU-DEOSSOPVSA-N 2 1 510.509 5.570 1 0 KKAFMP C[N@@H+](CC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330165 562719085 /nfs/dbraw/zinc/71/90/85/562719085.db2.gz QJIHBQHUALITFU-DEOSSOPVSA-N 2 1 510.509 5.570 1 0 KKAFMP Cc1c(C(=O)NCCCCCCCCC[N@@H+](C)CCCCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072147625 562729807 /nfs/dbraw/zinc/72/98/07/562729807.db2.gz YSLYAILXDKYYMD-UHFFFAOYSA-N 2 1 677.205 9.890 1 0 KKAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCc1cccc(C[NH2+]CCc3c(Cl)cccc3Cl)c1)ccc2O ZINC000073198217 562735617 /nfs/dbraw/zinc/73/56/17/562735617.db2.gz ZKYKDCNIQRGNPZ-DEOSSOPVSA-N 2 1 546.520 5.190 1 0 KKAFMP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536517 562753921 /nfs/dbraw/zinc/75/39/21/562753921.db2.gz RWORRXPCSGCYTM-COCZKOEFSA-N 2 1 774.918 7.129 1 0 KKAFMP C[NH+](CCNC(=O)CCCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536801 562754192 /nfs/dbraw/zinc/75/41/92/562754192.db2.gz PLYHJGZNJIKTSD-UHFFFAOYSA-N 2 1 819.794 6.472 1 0 KKAFMP CCC[NH+](CCCCCCCCCC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095560321 562763021 /nfs/dbraw/zinc/76/30/21/562763021.db2.gz SQYZBSPQNGOKJY-ACHIHNKUSA-N 2 1 548.856 8.057 1 0 KKAFMP CCC[NH+](CCCCCCC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095562515 562763724 /nfs/dbraw/zinc/76/37/24/562763724.db2.gz CIDCPLKTGCFTOZ-VMPREFPWSA-N 2 1 506.775 6.887 1 0 KKAFMP CC[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095576230 562770564 /nfs/dbraw/zinc/77/05/64/562770564.db2.gz IBVHBAHGLWJACY-UHFFFAOYSA-N 2 1 529.710 6.008 1 0 KKAFMP CC[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095576230 562770565 /nfs/dbraw/zinc/77/05/65/562770565.db2.gz IBVHBAHGLWJACY-UHFFFAOYSA-N 2 1 529.710 6.008 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576349 562770625 /nfs/dbraw/zinc/77/06/25/562770625.db2.gz SQNFGAWWNIPHLE-BWELLIPCSA-N 2 1 506.731 5.339 1 0 KKAFMP O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285561 562795830 /nfs/dbraw/zinc/79/58/30/562795830.db2.gz LESFBJPJZADQHL-UHFFFAOYSA-N 2 1 644.860 7.946 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Br)cc1 ZINC000096939387 562804747 /nfs/dbraw/zinc/80/47/47/562804747.db2.gz NPWKFVGMLLDHKU-SANMLTNESA-N 2 1 643.957 6.196 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Br)cc1 ZINC000096939387 562804748 /nfs/dbraw/zinc/80/47/48/562804748.db2.gz NPWKFVGMLLDHKU-SANMLTNESA-N 2 1 643.957 6.196 1 0 KKAFMP [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 562812795 /nfs/dbraw/zinc/81/27/95/562812795.db2.gz WLAKKZBRRAGCTQ-GSXVTLMESA-N 2 1 566.790 6.390 1 0 KKAFMP CCC1=C[NH+]2CC[C@]34c5ccccc5N=C3[C@@]3(CC5=C6N(C3)c3ccccc3[C@@]63CC[N@@H+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000102176986 562812893 /nfs/dbraw/zinc/81/28/93/562812893.db2.gz IBWDDURZGONIOT-UNFWSFJASA-N 2 1 554.782 6.948 1 0 KKAFMP CCC1=C[N@H+]2CC[C@]34c5ccccc5N=C3[C@@]3(CC5=C6N(C3)c3ccccc3[C@@]63CC[NH+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000102176986 562812894 /nfs/dbraw/zinc/81/28/94/562812894.db2.gz IBWDDURZGONIOT-UNFWSFJASA-N 2 1 554.782 6.948 1 0 KKAFMP CCC1=C[N@@H+]2CC[C@]34c5ccccc5N=C3[C@@]3(CC5=C6N(C3)c3ccccc3[C@@]63CC[NH+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000102176986 562812895 /nfs/dbraw/zinc/81/28/95/562812895.db2.gz IBWDDURZGONIOT-UNFWSFJASA-N 2 1 554.782 6.948 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@H]1C1=C[C@@]2(O)CC/C=C\CCCC[N@H+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000102240718 562812989 /nfs/dbraw/zinc/81/29/89/562812989.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 2 1 566.834 6.380 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@H]1C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[N@@H+]4[C@H]12)C3 ZINC000102240718 562812990 /nfs/dbraw/zinc/81/29/90/562812990.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 2 1 566.834 6.380 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@H]1C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[N@H+]4[C@H]12)C3 ZINC000102240718 562812991 /nfs/dbraw/zinc/81/29/91/562812991.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 2 1 566.834 6.380 1 0 KKAFMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3[N@@H+](C)CC2)CCN1C ZINC000103290537 562824087 /nfs/dbraw/zinc/82/40/87/562824087.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 1 606.719 7.260 1 0 KKAFMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3N(C)CC2)CCN1C ZINC000103290537 562824088 /nfs/dbraw/zinc/82/40/88/562824088.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 1 606.719 7.260 1 0 KKAFMP Cc1csc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CN5C[C@@H](C)[NH2+][C@@H](C)C5)cc4C[NH+]4CCOCC4)c3)CC2)n1 ZINC000167365264 562850777 /nfs/dbraw/zinc/85/07/77/562850777.db2.gz BIEGUOUGXUGXQL-IDXOVHGGSA-N 2 1 755.961 5.930 1 0 KKAFMP 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+]CCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000169302205 562853018 /nfs/dbraw/zinc/85/30/18/562853018.db2.gz KRNXBGIVMRDNEB-RCLOLQKESA-N 2 1 710.356 7.590 1 0 KKAFMP 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 562856009 /nfs/dbraw/zinc/85/60/09/562856009.db2.gz AKCFIRYWUGECQV-KEQLWDECSA-N 2 1 634.865 5.348 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6c(cccc6O)[C@@]56CC[N@@H+]5C[C@@H](CC)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000169317764 562856010 /nfs/dbraw/zinc/85/60/10/562856010.db2.gz AKCFIRYWUGECQV-KEQLWDECSA-N 2 1 634.865 5.348 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6c(cccc6O)[C@@]56CC[N@H+]5C[C@@H](CC)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000169317764 562856011 /nfs/dbraw/zinc/85/60/11/562856011.db2.gz AKCFIRYWUGECQV-KEQLWDECSA-N 2 1 634.865 5.348 1 0 KKAFMP CN1CC[NH+](CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448915 562871891 /nfs/dbraw/zinc/87/18/91/562871891.db2.gz FFFZTEDRBPFNSJ-OETVIHDQSA-N 2 1 529.769 5.532 1 0 KKAFMP CN1CC[NH+](CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447797 562871895 /nfs/dbraw/zinc/87/18/95/562871895.db2.gz NWCDXZDSLNCFBZ-UZBSQRRVSA-N 2 1 515.742 5.142 1 0 KKAFMP O=c1ccc2ccc(OCCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299865301 562894372 /nfs/dbraw/zinc/89/43/72/562894372.db2.gz TWJIVHLWRFWASS-UHFFFAOYSA-N 2 1 554.735 5.889 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299867317 562894826 /nfs/dbraw/zinc/89/48/26/562894826.db2.gz QDLRHMZRLCCZQC-YCNHBXJWSA-N 2 1 557.694 5.936 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299870689 562895524 /nfs/dbraw/zinc/89/55/24/562895524.db2.gz WSGCGGATBVZWKD-MRUMMDIBSA-N 2 1 571.721 6.326 1 0 KKAFMP Cn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(N=C4C=C[N@H+](C)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819958 562896144 /nfs/dbraw/zinc/89/61/44/562896144.db2.gz GJOMYKUNIVZPJD-YKQLMDKRSA-N 2 1 500.606 5.216 1 0 KKAFMP Cn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(N=C4C=C[N@@H+](C)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819958 562896145 /nfs/dbraw/zinc/89/61/45/562896145.db2.gz GJOMYKUNIVZPJD-YKQLMDKRSA-N 2 1 500.606 5.216 1 0 KKAFMP C[N@H+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117129 562899182 /nfs/dbraw/zinc/89/91/82/562899182.db2.gz XUCRUGYJRDTBOP-CONSDPRKSA-O 3 1 508.771 6.331 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117129 562899183 /nfs/dbraw/zinc/89/91/83/562899183.db2.gz XUCRUGYJRDTBOP-CONSDPRKSA-O 2 1 508.771 6.331 1 0 KKAFMP C[N@H+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117137 562899193 /nfs/dbraw/zinc/89/91/93/562899193.db2.gz XUCRUGYJRDTBOP-JSOSNVBQSA-O 3 1 508.771 6.331 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117137 562899194 /nfs/dbraw/zinc/89/91/94/562899194.db2.gz XUCRUGYJRDTBOP-JSOSNVBQSA-O 2 1 508.771 6.331 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152112 562901722 /nfs/dbraw/zinc/90/17/22/562901722.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 2 1 564.126 5.975 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152112 562901723 /nfs/dbraw/zinc/90/17/23/562901723.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 2 1 564.126 5.975 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)CC1 ZINC000473182929 562903519 /nfs/dbraw/zinc/90/35/19/562903519.db2.gz AUULXWXMBHAERU-NYVOZVTQSA-N 2 1 526.052 5.452 1 0 KKAFMP COc1ccc(C[C@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609886 562905697 /nfs/dbraw/zinc/90/56/97/562905697.db2.gz WQZBBYANCHFELC-HKBQPEDESA-N 2 1 556.751 5.060 1 0 KKAFMP COc1ccc(C[C@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609886 562905698 /nfs/dbraw/zinc/90/56/98/562905698.db2.gz WQZBBYANCHFELC-HKBQPEDESA-N 2 1 556.751 5.060 1 0 KKAFMP 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 562908935 /nfs/dbraw/zinc/90/89/35/562908935.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 2 1 632.849 5.938 1 0 KKAFMP COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCC[NH+]9CCc%10c%11ccccc%11n7c%10[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 562908936 /nfs/dbraw/zinc/90/89/36/562908936.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 2 1 632.849 5.938 1 0 KKAFMP COC(=O)[C@@H]1C[C@@]23CCC[N@H+]4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCC[NH+]9CCc%10c%11ccccc%11n7c%10[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 562908937 /nfs/dbraw/zinc/90/89/37/562908937.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 2 1 632.849 5.938 1 0 KKAFMP COC(=O)[C@@H]1C[C@@]23CCC[NH+]4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCC[N@@H+]9CCc%10c%11ccccc%11n7c%10[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 562908938 /nfs/dbraw/zinc/90/89/38/562908938.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 2 1 632.849 5.938 1 0 KKAFMP COC(=O)[C@@H]1C[C@@]23CCC[NH+]4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCC[N@H+]9CCc%10c%11ccccc%11n7c%10[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 562908939 /nfs/dbraw/zinc/90/89/39/562908939.db2.gz NWRSTXLPBGHFPP-CKUBTQRQSA-N 2 1 632.849 5.938 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)[NH2+]CC3 ZINC000085493292 565128384 /nfs/dbraw/zinc/12/83/84/565128384.db2.gz QUNLCUCOOQVXQM-NSOVKSMOSA-N 2 1 624.734 6.526 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1Oc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1 ZINC000005882795 561699851 /nfs/dbraw/zinc/69/98/51/561699851.db2.gz UHYCXSGUNAWVBW-SAIUNTKASA-N 2 1 638.805 7.065 1 0 in-vivo KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1Oc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1 ZINC000005882795 561699853 /nfs/dbraw/zinc/69/98/53/561699853.db2.gz UHYCXSGUNAWVBW-SAIUNTKASA-N 2 1 638.805 7.065 1 0 in-vivo KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1Oc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1 ZINC000005882795 561699855 /nfs/dbraw/zinc/69/98/55/561699855.db2.gz UHYCXSGUNAWVBW-SAIUNTKASA-N 2 1 638.805 7.065 1 0 in-vivo KKAFMP Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000013560288 561719714 /nfs/dbraw/zinc/71/97/14/561719714.db2.gz QDOTVMNTDPQVQO-UHFFFAOYSA-N 2 1 509.738 6.465 1 0 KKAFMP Cc1[nH+]ccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCC[NH3+])c2)cc1 ZINC000025963125 561762846 /nfs/dbraw/zinc/76/28/46/561762846.db2.gz POMULZQWVZXZEN-DHUJRADRSA-N 2 1 602.864 6.107 1 0 KKAFMP C[N@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026579412 561804738 /nfs/dbraw/zinc/80/47/38/561804738.db2.gz VAYCSJFLMOOEMT-MUVVOIGYSA-N 2 1 541.588 6.754 1 0 KKAFMP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CC[C@H]3c3ccc(Cl)cc3)cc2)C1 ZINC000026652742 561808731 /nfs/dbraw/zinc/80/87/31/561808731.db2.gz SEIQXEMHCYOXBR-GASGPIRDSA-N 2 1 607.626 5.697 1 0 KKAFMP CN(CC[NH+](C)C)Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026724287 561815649 /nfs/dbraw/zinc/81/56/49/561815649.db2.gz HUUSVDCCWNOULF-UHFFFAOYSA-N 2 1 509.098 5.050 1 0 KKAFMP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998188 561833776 /nfs/dbraw/zinc/83/37/76/561833776.db2.gz QDLKZCSBLHDQJF-OHAFWCNASA-N 2 1 703.994 6.716 1 0 KKAFMP O[C@@H](C[NH2+]CCCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2ccccc21 ZINC000027090112 561837054 /nfs/dbraw/zinc/83/70/54/561837054.db2.gz KBMBOHPENBGFSY-BBLOSTOYSA-N 2 1 628.785 6.782 1 0 KKAFMP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027308740 561850251 /nfs/dbraw/zinc/85/02/51/561850251.db2.gz ZPPGYHJWOCWXBR-UHFFFAOYSA-N 2 1 536.599 6.268 1 0 KKAFMP NC(=[NH2+])c1ccc2nc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)o4)cc3)[nH]c2c1 ZINC000027308740 561850253 /nfs/dbraw/zinc/85/02/53/561850253.db2.gz ZPPGYHJWOCWXBR-UHFFFAOYSA-N 2 1 536.599 6.268 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425219 561858293 /nfs/dbraw/zinc/85/82/93/561858293.db2.gz KJKZOKVFJPDHQM-LIVHHCORSA-N 2 1 679.906 6.291 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@H+](Cc3cccc(F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027844205 561885396 /nfs/dbraw/zinc/88/53/96/561885396.db2.gz SZIAAKCKYJYFAG-UHFFFAOYSA-N 2 1 608.724 6.725 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@@H+](Cc3cccc(F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027844205 561885397 /nfs/dbraw/zinc/88/53/97/561885397.db2.gz SZIAAKCKYJYFAG-UHFFFAOYSA-N 2 1 608.724 6.725 1 0 KKAFMP OCCC[N@@H+](CCN(Cc1ccccc1)Cc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 561885403 /nfs/dbraw/zinc/88/54/03/561885403.db2.gz NNVBKPALZBJMDB-UHFFFAOYSA-N 2 1 598.835 7.171 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000028116902 561903908 /nfs/dbraw/zinc/90/39/08/561903908.db2.gz HWPHQPMZIHYQFM-FQEVSTJZSA-N 2 1 539.498 6.517 1 0 KKAFMP C[C@H]([NH2+]C1CCCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373484 561918715 /nfs/dbraw/zinc/91/87/15/561918715.db2.gz JNWGDHXQXYFGAM-YMHHMKOLSA-N 2 1 614.234 5.024 1 0 KKAFMP COc1ccc2ccccc2c1CCCCN1CC[NH+](C[C@@H](c2ccc(F)cc2)C2CC[NH+](C(C)C)CC2)CC1 ZINC000028645909 561944624 /nfs/dbraw/zinc/94/46/24/561944624.db2.gz YQAIQMBVUVSWQU-UMSFTDKQSA-N 2 1 545.787 6.832 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645920 561944660 /nfs/dbraw/zinc/94/46/60/561944660.db2.gz QZSJYHCBUZIVJV-XIFFEERXSA-N 2 1 545.762 7.086 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028645983 561944709 /nfs/dbraw/zinc/94/47/09/561944709.db2.gz BXMQVSMCTWXOEI-PGUFJCEWSA-N 2 1 545.762 7.086 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645963 561944764 /nfs/dbraw/zinc/94/47/64/561944764.db2.gz AWNPJZLYWXFSRD-PGUFJCEWSA-N 2 1 545.762 7.086 1 0 KKAFMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3nn(-c4ccccc4)c(NC(=O)c4ccccc4Cl)c3Br)CC2)CC1 ZINC000028712007 561952728 /nfs/dbraw/zinc/95/27/28/561952728.db2.gz LUSJHGGKKRUSDD-UHFFFAOYSA-N 2 1 628.015 5.467 1 0 KKAFMP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824069 561968866 /nfs/dbraw/zinc/96/88/66/561968866.db2.gz ZMEBQZIGXQLVSL-YPKYBTACSA-N 2 1 613.168 6.969 1 0 KKAFMP COc1ccc([C@@H]2C[N@H+](C(C)C)C[C@H]2C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000028824072 561968873 /nfs/dbraw/zinc/96/88/73/561968873.db2.gz SZEHNEVYJPISLX-IARZGTGTSA-N 2 1 560.705 5.533 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864189 561972771 /nfs/dbraw/zinc/97/27/71/561972771.db2.gz QJMYPUOUIDONAU-MHZLTWQESA-N 2 1 576.732 5.309 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@@H+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864189 561972772 /nfs/dbraw/zinc/97/27/72/561972772.db2.gz QJMYPUOUIDONAU-MHZLTWQESA-N 2 1 576.732 5.309 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@H+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864189 561972773 /nfs/dbraw/zinc/97/27/73/561972773.db2.gz QJMYPUOUIDONAU-MHZLTWQESA-N 2 1 576.732 5.309 1 0 KKAFMP CC(C)C[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960154 561983916 /nfs/dbraw/zinc/98/39/16/561983916.db2.gz MNHIMAXVJTXTPI-NHKHRBQYSA-N 2 1 636.203 5.684 1 0 KKAFMP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]c[nH+]4)c3=O)CC2)C(C)C)c1 ZINC000029063884 561996278 /nfs/dbraw/zinc/99/62/78/561996278.db2.gz GTBORSPXGZQYLC-NDEPHWFRSA-N 2 1 517.674 5.022 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CC(C)(C)C ZINC000029135629 562004449 /nfs/dbraw/zinc/00/44/49/562004449.db2.gz XTXHGMBUVKGTLW-UHFFFAOYSA-N 2 1 560.060 8.038 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CC(C)(C)C ZINC000029135629 562004450 /nfs/dbraw/zinc/00/44/50/562004450.db2.gz XTXHGMBUVKGTLW-UHFFFAOYSA-N 2 1 560.060 8.038 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CC(C)C ZINC000029135631 562004552 /nfs/dbraw/zinc/00/45/52/562004552.db2.gz JXKZNEWAURNXKD-UHFFFAOYSA-N 2 1 546.033 7.648 1 0 KKAFMP COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CC(C)C ZINC000029135631 562004554 /nfs/dbraw/zinc/00/45/54/562004554.db2.gz JXKZNEWAURNXKD-UHFFFAOYSA-N 2 1 546.033 7.648 1 0 KKAFMP CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029332439 562013990 /nfs/dbraw/zinc/01/39/90/562013990.db2.gz JCESZKTUENPOBS-BHVANESWSA-N 2 1 634.692 7.411 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCC[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccnc2ccccc12 ZINC000029402297 562019917 /nfs/dbraw/zinc/01/99/17/562019917.db2.gz CEEYGGCIQNKBLA-UHFFFAOYSA-N 2 1 567.524 7.664 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCC[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccnc2ccccc12 ZINC000029402297 562019919 /nfs/dbraw/zinc/01/99/19/562019919.db2.gz CEEYGGCIQNKBLA-UHFFFAOYSA-N 2 1 567.524 7.664 1 0 KKAFMP O=C(CCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403547 562020187 /nfs/dbraw/zinc/02/01/87/562020187.db2.gz NQWIYFYXGPVRGH-UHFFFAOYSA-N 2 1 619.641 6.901 1 0 KKAFMP CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029482102 562027514 /nfs/dbraw/zinc/02/75/14/562027514.db2.gz OYZKEUGCOIDWKC-UWXQCODUSA-N 2 1 640.913 6.466 1 0 KKAFMP CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000029482993 562027743 /nfs/dbraw/zinc/02/77/43/562027743.db2.gz KRZIBAVPXAEWJT-LQJZCPKCSA-N 2 1 578.842 5.288 1 0 KKAFMP CCCN(CCC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546739 562030106 /nfs/dbraw/zinc/03/01/06/562030106.db2.gz LCBHQIDVXKUJSD-LOYHVIPDSA-N 2 1 526.810 5.408 1 0 KKAFMP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000036284689 562053383 /nfs/dbraw/zinc/05/33/83/562053383.db2.gz CXNCKVKDTNIURI-CKOYEXALSA-N 2 1 634.240 5.311 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(Cl)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351775 562059196 /nfs/dbraw/zinc/05/91/96/562059196.db2.gz PAOVRRFSIQMDKP-XIFFEERXSA-N 2 1 597.030 8.506 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(Cl)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351775 562059197 /nfs/dbraw/zinc/05/91/97/562059197.db2.gz PAOVRRFSIQMDKP-XIFFEERXSA-N 2 1 597.030 8.506 1 0 KKAFMP CCN(CC)C(=O)[C@H]1CCC[NH+](CCCCCCCCCC[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000040375321 562073287 /nfs/dbraw/zinc/07/32/87/562073287.db2.gz VUAPWEZMELHKGR-NSOVKSMOSA-N 2 1 506.820 5.268 1 0 KKAFMP CC[N@H+](CCNC(=O)c1ccc(F)cc1NCc1ccccc1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040862890 562080945 /nfs/dbraw/zinc/08/09/45/562080945.db2.gz JWOZUTXAMBCXAP-UHFFFAOYSA-N 2 1 520.052 5.803 1 0 KKAFMP CC[N@@H+](CCNC(=O)c1ccc(F)cc1NCc1ccccc1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040862890 562080946 /nfs/dbraw/zinc/08/09/46/562080946.db2.gz JWOZUTXAMBCXAP-UHFFFAOYSA-N 2 1 520.052 5.803 1 0 KKAFMP c1cc(C2=[NH+]CCN2)cc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C7=[NH+]CCN7)ccc6[nH]5)cc4)cc3)nc12 ZINC000042807003 562089969 /nfs/dbraw/zinc/08/99/69/562089969.db2.gz PRBYPIAHFVLPCP-UHFFFAOYSA-N 2 1 550.670 5.258 1 0 KKAFMP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000070454202 560048541 /nfs/dbraw/zinc/04/85/41/560048541.db2.gz OAYMPFKYWUYPSQ-IOWSJCHKSA-N 2 1 592.736 6.355 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000070454202 560048542 /nfs/dbraw/zinc/04/85/42/560048542.db2.gz OAYMPFKYWUYPSQ-IOWSJCHKSA-N 2 1 592.736 6.355 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000070454202 560048543 /nfs/dbraw/zinc/04/85/43/560048543.db2.gz OAYMPFKYWUYPSQ-IOWSJCHKSA-N 2 1 592.736 6.355 1 0 biogenic,in-vitro KKAFMP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[NH+]2C/C(=C\C)[C@@H]6C[C@H]21 ZINC000103579839 560051792 /nfs/dbraw/zinc/05/17/92/560051792.db2.gz XISKMNBBUQQBBE-NYKLSZDKSA-N 2 1 552.766 6.129 1 0 biogenic,in-vitro KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@@H+]2C/C(=C\C)[C@@H]6C[C@H]21 ZINC000103579839 560051793 /nfs/dbraw/zinc/05/17/93/560051793.db2.gz XISKMNBBUQQBBE-NYKLSZDKSA-N 2 1 552.766 6.129 1 0 biogenic,in-vitro KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@H+]2C/C(=C\C)[C@@H]6C[C@H]21 ZINC000103579839 560051795 /nfs/dbraw/zinc/05/17/95/560051795.db2.gz XISKMNBBUQQBBE-NYKLSZDKSA-N 2 1 552.766 6.129 1 0 biogenic,in-vitro KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000043175204 562646583 /nfs/dbraw/zinc/64/65/83/562646583.db2.gz YANGEESWIGIKOP-UUWRZZSWSA-N 2 1 641.300 7.773 1 0 investigational KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652390 /nfs/dbraw/zinc/65/23/90/562652390.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 2 1 564.774 6.259 1 0 in-vivo KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652391 /nfs/dbraw/zinc/65/23/91/562652391.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 2 1 564.774 6.259 1 0 in-vivo KKAFMP O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652392 /nfs/dbraw/zinc/65/23/92/562652392.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 2 1 564.774 6.259 1 0 in-vivo KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000044351735 562654796 /nfs/dbraw/zinc/65/47/96/562654796.db2.gz NXSCWSXZIHLCCS-UWPCBWMYSA-N 2 1 578.801 6.864 1 0 KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000044351735 562654797 /nfs/dbraw/zinc/65/47/97/562654797.db2.gz NXSCWSXZIHLCCS-UWPCBWMYSA-N 2 1 578.801 6.864 1 0 KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000044351735 562654798 /nfs/dbraw/zinc/65/47/98/562654798.db2.gz NXSCWSXZIHLCCS-UWPCBWMYSA-N 2 1 578.801 6.864 1 0 KKAFMP CC[NH+](CC)CCCNC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044417820 562657176 /nfs/dbraw/zinc/65/71/76/562657176.db2.gz LOJAPTYUHKVYTA-UHFFFAOYSA-N 2 1 581.161 6.014 1 0 KKAFMP c1cc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1OCCCCCOc1ccc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045227891 562659395 /nfs/dbraw/zinc/65/93/95/562659395.db2.gz GNKDQOCCBGUANW-FXCIUYFGSA-N 2 1 500.687 5.637 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]C4CCCC4)cc3)c2)C(=O)CCC2CCCC2)CC1 ZINC000045228381 562659473 /nfs/dbraw/zinc/65/94/73/562659473.db2.gz DKXWMSUOLJDOQF-UHFFFAOYSA-N 2 1 544.828 6.322 1 0 KKAFMP COc1cc(NCCC[NH2+]Cc2cn(Cc3cc(Br)cc(Br)c3)c3ccccc23)[nH+]c2ccccc21 ZINC000048307261 562662886 /nfs/dbraw/zinc/66/28/86/562662886.db2.gz LEQSNAOIRPQHDE-UHFFFAOYSA-N 2 1 608.378 7.363 1 0 KKAFMP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(C[N@H+]5CCN(c6cccc(C)c6)C[C@H]5C)cc4)CC3)c2c1 ZINC000048307370 562663061 /nfs/dbraw/zinc/66/30/61/562663061.db2.gz BHJFUMAOFFPDFT-YHZWMNSLSA-N 2 1 607.799 5.190 1 0 KKAFMP CCC[N@@H+](CCC[NH+](C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 562663880 /nfs/dbraw/zinc/66/38/80/562663880.db2.gz XOJOTGJAUPIDAC-RUZDIDTESA-N 3 1 511.759 6.709 1 0 KKAFMP CCCN(CCC[NH+](C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 562663881 /nfs/dbraw/zinc/66/38/81/562663881.db2.gz XOJOTGJAUPIDAC-RUZDIDTESA-N 2 1 511.759 6.709 1 0 KKAFMP CCC[N@H+](CCCN(C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 562663882 /nfs/dbraw/zinc/66/38/82/562663882.db2.gz XOJOTGJAUPIDAC-RUZDIDTESA-N 2 1 511.759 6.709 1 0 KKAFMP CCC[N@@H+](CCCN(C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 562663883 /nfs/dbraw/zinc/66/38/83/562663883.db2.gz XOJOTGJAUPIDAC-RUZDIDTESA-N 2 1 511.759 6.709 1 0 KKAFMP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067590 562663989 /nfs/dbraw/zinc/66/39/89/562663989.db2.gz WHPDQMKLUXKLEA-SSEXGKCCSA-N 2 1 502.666 5.765 1 0 KKAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCc3cccc(-c4cc(C(F)(F)F)ccc4Cl)c3)[nH+]2)cc1 ZINC000049605749 562666273 /nfs/dbraw/zinc/66/62/73/562666273.db2.gz ZTVACILTNPPVOF-UHFFFAOYSA-N 2 1 584.046 5.593 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000049626674 562667329 /nfs/dbraw/zinc/66/73/29/562667329.db2.gz JYNDMWCVGRRWML-UHFFFAOYSA-N 2 1 618.851 6.925 1 0 KKAFMP C[C@@H]1C[C@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7ccc(C(=[NH2+])N8C[C@H](C)C[C@H](C)C8)cc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000049677858 562668364 /nfs/dbraw/zinc/66/83/64/562668364.db2.gz YOTKYPMFBCPZTK-KMKVIZFGSA-N 2 1 678.885 9.172 1 0 KKAFMP CCOP(=O)(OCC)[C@H](NCCc1c[nH]c2ccccc12)c1ccc([C@@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708915 562671105 /nfs/dbraw/zinc/67/11/05/562671105.db2.gz GCQPKRXHOAIDEP-ZPGRZCPFSA-N 2 1 694.750 8.843 1 0 KKAFMP Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CCC[NH2+][C@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710600 562671751 /nfs/dbraw/zinc/67/17/51/562671751.db2.gz ZDEPMBSNSMMZEB-OALUTQOASA-N 2 1 652.067 6.720 1 0 KKAFMP CN1CC[NH+](Cc2ccc(NC(=O)OC[C@@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762225 562676406 /nfs/dbraw/zinc/67/64/06/562676406.db2.gz BNADKFGPICFCAD-AREMUKBSSA-N 2 1 543.693 5.302 1 0 KKAFMP CC(C)(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771665 562678281 /nfs/dbraw/zinc/67/82/81/562678281.db2.gz DQFXAHSDICSTPD-UPDQMOMGSA-N 2 1 647.908 7.840 1 0 KKAFMP CC(C)(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049771665 562678282 /nfs/dbraw/zinc/67/82/82/562678282.db2.gz DQFXAHSDICSTPD-UPDQMOMGSA-N 2 1 647.908 7.840 1 0 KKAFMP CC(C)(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049771665 562678283 /nfs/dbraw/zinc/67/82/83/562678283.db2.gz DQFXAHSDICSTPD-UPDQMOMGSA-N 2 1 647.908 7.840 1 0 KKAFMP CCCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771667 562678290 /nfs/dbraw/zinc/67/82/90/562678290.db2.gz FIDKUWYSRPPSGC-ADHKUKJBSA-N 2 1 675.962 8.765 1 0 KKAFMP CCCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049771667 562678291 /nfs/dbraw/zinc/67/82/91/562678291.db2.gz FIDKUWYSRPPSGC-ADHKUKJBSA-N 2 1 675.962 8.765 1 0 KKAFMP CCCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049771667 562678292 /nfs/dbraw/zinc/67/82/92/562678292.db2.gz FIDKUWYSRPPSGC-ADHKUKJBSA-N 2 1 675.962 8.765 1 0 KKAFMP CC[NH+]1CCC(CNc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)CC1 ZINC000049777262 562679833 /nfs/dbraw/zinc/67/98/33/562679833.db2.gz QSIAXFKUFXOHHK-UHFFFAOYSA-N 2 1 570.701 7.248 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+] ZINC000049780515 562681783 /nfs/dbraw/zinc/68/17/83/562681783.db2.gz RFAPAGLZKXSKCD-ZQWQDMLBSA-N 3 1 631.913 5.867 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049817535 562686823 /nfs/dbraw/zinc/68/68/23/562686823.db2.gz ZHNVEXZKXNWTHM-KIORWJHZSA-N 3 1 725.911 7.980 1 0 KKAFMP C[NH+](C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049841451 562688371 /nfs/dbraw/zinc/68/83/71/562688371.db2.gz VGPHGBKROHTXGE-UHFFFAOYSA-N 2 1 650.835 6.449 1 0 KKAFMP C[NH+](C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841451 562688372 /nfs/dbraw/zinc/68/83/72/562688372.db2.gz VGPHGBKROHTXGE-UHFFFAOYSA-N 2 1 650.835 6.449 1 0 KKAFMP COc1cc(N[C@@H]2CCC[C@@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)[nH+]c2ccccc21 ZINC000049917853 562693989 /nfs/dbraw/zinc/69/39/89/562693989.db2.gz CRKRTZSDQVCDCH-DNQXCXABSA-N 2 1 540.689 5.948 1 0 KKAFMP COc1cc(N[C@H]2CCC[C@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)[nH+]c2ccccc21 ZINC000049917852 562693998 /nfs/dbraw/zinc/69/39/98/562693998.db2.gz CRKRTZSDQVCDCH-ZEQRLZLVSA-N 2 1 540.689 5.948 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCC[NH+]3C)c3ccccc23)C1 ZINC000049917892 562694055 /nfs/dbraw/zinc/69/40/55/562694055.db2.gz MKVLXLJEYVNCLW-QYDYLWNGSA-N 2 1 612.840 6.063 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCC[N@@H+]3C)c3ccccc23)C1 ZINC000049917892 562694056 /nfs/dbraw/zinc/69/40/56/562694056.db2.gz MKVLXLJEYVNCLW-QYDYLWNGSA-N 2 1 612.840 6.063 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCC[N@H+]3C)c3ccccc23)C1 ZINC000049917892 562694057 /nfs/dbraw/zinc/69/40/57/562694057.db2.gz MKVLXLJEYVNCLW-QYDYLWNGSA-N 2 1 612.840 6.063 1 0 KKAFMP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049918049 562694408 /nfs/dbraw/zinc/69/44/08/562694408.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 2 1 553.710 6.554 1 0 KKAFMP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049918049 562694409 /nfs/dbraw/zinc/69/44/09/562694409.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 2 1 553.710 6.554 1 0 KKAFMP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(C[N@H+]5CCN(c6cccc(C)c6)C[C@@H]5C)cc4)CC3)c2c1 ZINC000058582924 562700039 /nfs/dbraw/zinc/70/00/39/562700039.db2.gz BHJFUMAOFFPDFT-WMELESEDSA-N 2 1 607.799 5.190 1 0 KKAFMP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000058598786 562700763 /nfs/dbraw/zinc/70/07/63/562700763.db2.gz DOVNDOSDULTCGE-NPLMNSEMSA-N 2 1 624.821 5.213 1 0 KKAFMP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685409 562701540 /nfs/dbraw/zinc/70/15/40/562701540.db2.gz RMUPNRJFGFALOJ-ZEWQTRQVSA-N 3 1 685.846 7.200 1 0 KKAFMP Clc1ccc2c(NCCCN3CC[NH+](C(c4ccccc4)(c4ccccc4)c4ccccc4)CC3)cc[nH+]c2c1 ZINC000064264533 562704679 /nfs/dbraw/zinc/70/46/79/562704679.db2.gz XSCNYDWTZVPKTE-UHFFFAOYSA-N 2 1 547.146 7.300 1 0 KKAFMP C[NH+](C)CCC(=O)N1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cnc6ccccc6c5)cc34)cc2C(F)(F)F)CC1 ZINC000064539866 562707627 /nfs/dbraw/zinc/70/76/27/562707627.db2.gz OEQWGNFMKFHQBV-UHFFFAOYSA-N 2 1 598.673 6.813 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073968 562709613 /nfs/dbraw/zinc/70/96/13/562709613.db2.gz RXIFDJMCJKEING-XIFFEERXSA-N 2 1 606.815 5.653 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073968 562709614 /nfs/dbraw/zinc/70/96/14/562709614.db2.gz RXIFDJMCJKEING-XIFFEERXSA-N 2 1 606.815 5.653 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074423 562709863 /nfs/dbraw/zinc/70/98/63/562709863.db2.gz JVAFIFLJBRUNJB-WJOKGBTCSA-N 2 1 578.761 5.220 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074423 562709864 /nfs/dbraw/zinc/70/98/64/562709864.db2.gz JVAFIFLJBRUNJB-WJOKGBTCSA-N 2 1 578.761 5.220 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066077237 562710275 /nfs/dbraw/zinc/71/02/75/562710275.db2.gz OXHFCAMGABAVGJ-XIFFEERXSA-N 2 1 606.815 6.000 1 0 KKAFMP CC(C)[C@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066102907 562711508 /nfs/dbraw/zinc/71/15/08/562711508.db2.gz FUXHIPGFKSLPTJ-RACKDBBVSA-N 3 1 563.879 5.264 3 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104360 562711691 /nfs/dbraw/zinc/71/16/91/562711691.db2.gz VZDMPXBUIWEQHN-UUWRZZSWSA-N 2 1 620.842 6.043 1 0 KKAFMP C[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066123404 562712441 /nfs/dbraw/zinc/71/24/41/562712441.db2.gz LJMVLBUUPQXAJD-JWDVHEBFSA-N 3 1 583.869 5.215 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@@H+](CCCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000068087725 562715742 /nfs/dbraw/zinc/71/57/42/562715742.db2.gz QLOCEFPHCAKSLE-PGUFJCEWSA-N 2 1 655.327 8.336 1 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCC[N@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000071319156 562718740 /nfs/dbraw/zinc/71/87/40/562718740.db2.gz IMKMPTLRTHMERW-MGBGTMOVSA-N 2 1 622.854 6.825 1 0 KKAFMP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C2CCCCC2)CC1 ZINC000072118184 562723461 /nfs/dbraw/zinc/72/34/61/562723461.db2.gz IIMUZXZNXNSSBG-UHFFFAOYSA-N 3 1 593.861 5.244 1 0 KKAFMP Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]CC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147862 562729927 /nfs/dbraw/zinc/72/99/27/562729927.db2.gz HQUBELNKAYGYNB-WDYNHAJCSA-N 2 1 695.078 7.695 1 0 KKAFMP C[C@@H](Cc1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)sc21 ZINC000073199506 562736046 /nfs/dbraw/zinc/73/60/46/562736046.db2.gz WONPWDMMWFWEFC-FYSMJZIKSA-N 2 1 546.520 5.189 1 0 KKAFMP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(C)c[nH+]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073221903 562736343 /nfs/dbraw/zinc/73/63/43/562736343.db2.gz VMZAGDDMMQIQNB-KXQRYBCWSA-N 2 1 518.727 5.412 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653370 562746824 /nfs/dbraw/zinc/74/68/24/562746824.db2.gz ZCPUOMYHGVBIQD-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2cccnc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084654879 562747387 /nfs/dbraw/zinc/74/73/87/562747387.db2.gz UTUGYXULTQVXHB-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP COc1c(C(C)(C)C)cc(C[N@@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671294 562748493 /nfs/dbraw/zinc/74/84/93/562748493.db2.gz WYNCUEJLIAVRPR-NDEPHWFRSA-N 2 1 604.870 9.372 1 0 KKAFMP COc1c(C(C)(C)C)cc(C[N@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671294 562748494 /nfs/dbraw/zinc/74/84/94/562748494.db2.gz WYNCUEJLIAVRPR-NDEPHWFRSA-N 2 1 604.870 9.372 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084759555 562752990 /nfs/dbraw/zinc/75/29/90/562752990.db2.gz NHXNABQBMQIFRX-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084759555 562752991 /nfs/dbraw/zinc/75/29/91/562752991.db2.gz NHXNABQBMQIFRX-WMELESEDSA-N 2 1 659.810 5.815 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 562757613 /nfs/dbraw/zinc/75/76/13/562757613.db2.gz BZEWCHJVLHXDJE-PGUFJCEWSA-N 2 1 628.648 8.243 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 562757614 /nfs/dbraw/zinc/75/76/14/562757614.db2.gz BZEWCHJVLHXDJE-PGUFJCEWSA-N 2 1 628.648 8.243 1 0 KKAFMP Clc1ccc2c(NC(c3ccccc3)(c3ccc(C[NH+]4CCCC4)c(Cl)c3)c3ccc(C[NH+]4CCCC4)c(Cl)c3)cc[nH+]c2c1 ZINC000095553758 562761070 /nfs/dbraw/zinc/76/10/70/562761070.db2.gz JSMIBJFABMSSHB-UHFFFAOYSA-N 3 1 656.101 9.791 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095572073 562769283 /nfs/dbraw/zinc/76/92/83/562769283.db2.gz CKRFXXHUTPXEDZ-UHFFFAOYSA-N 2 1 527.738 6.780 1 0 KKAFMP CC[N@@H+](CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095574980 562770169 /nfs/dbraw/zinc/77/01/69/562770169.db2.gz JTEVTVVXIIHVBV-UHFFFAOYSA-N 2 1 541.765 7.170 1 0 KKAFMP CC[NH+](CC)CCOc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000095576134 562770516 /nfs/dbraw/zinc/77/05/16/562770516.db2.gz IVJZUABZNFOIQZ-UHFFFAOYSA-N 2 1 646.872 9.513 1 0 KKAFMP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCC[N@@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095592328 562775921 /nfs/dbraw/zinc/77/59/21/562775921.db2.gz QZOVWRZQIPGHOQ-UHFFFAOYSA-N 2 1 602.867 7.521 1 0 KKAFMP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095615043 562787028 /nfs/dbraw/zinc/78/70/28/562787028.db2.gz IZCZXQSGSYYKSO-MDOFDWFASA-N 3 1 761.944 8.423 1 0 KKAFMP CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3cn(-c4cc[nH+]cc4)nn3)cccc2C1=O ZINC000095872125 562789976 /nfs/dbraw/zinc/78/99/76/562789976.db2.gz SWKZJGSDPIEMIQ-WTYVLRPYSA-N 2 1 579.532 6.016 1 0 KKAFMP CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3cn(-c4cc[nH+]cc4)nn3)cccc2C1=O ZINC000095872125 562789977 /nfs/dbraw/zinc/78/99/77/562789977.db2.gz SWKZJGSDPIEMIQ-WTYVLRPYSA-N 2 1 579.532 6.016 1 0 KKAFMP C[C@@H](c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](C)c3ccccc3)cc2)cc1 ZINC000096926974 562802463 /nfs/dbraw/zinc/80/24/63/562802463.db2.gz VLZNXMNXKJRQGR-PJBIELPXSA-N 2 1 612.818 8.185 1 0 KKAFMP CC[NH+](CC)CCC(=O)Nc1ccc(/C=C/c2nc3cc(N4CC[NH+](C)CC4)c(F)cc3c(=O)n2-c2ccccc2)cc1 ZINC000096938704 562804557 /nfs/dbraw/zinc/80/45/57/562804557.db2.gz QTFKOTGCRWPJTR-DTQAZKPQSA-N 2 1 582.724 5.117 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100034003 562806246 /nfs/dbraw/zinc/80/62/46/562806246.db2.gz IYIDBWPTUDDXMP-MTKDXCPMSA-N 2 1 602.820 6.497 1 0 KKAFMP 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 562810251 /nfs/dbraw/zinc/81/02/51/562810251.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 2 1 546.759 7.171 1 0 KKAFMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696104 562811794 /nfs/dbraw/zinc/81/17/94/562811794.db2.gz OXMIJSVIKYIGSO-QHCPKHFHSA-N 2 1 610.780 6.067 1 0 KKAFMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696104 562811795 /nfs/dbraw/zinc/81/17/95/562811795.db2.gz OXMIJSVIKYIGSO-QHCPKHFHSA-N 2 1 610.780 6.067 1 0 KKAFMP O=C(/C=C/C[NH+]1CCCCC1)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000112977116 562826137 /nfs/dbraw/zinc/82/61/37/562826137.db2.gz CJIJVEOGUOJOMJ-GQCTYLIASA-N 2 1 583.108 5.248 1 0 KKAFMP O=C1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885486 562831102 /nfs/dbraw/zinc/83/11/02/562831102.db2.gz IGFCCVGOXSJNQX-BHVANESWSA-N 2 1 558.766 6.369 1 0 KKAFMP O[C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885550 562831115 /nfs/dbraw/zinc/83/11/15/562831115.db2.gz XISVXJWNLOWHCO-AARKOHAPSA-N 2 1 560.782 6.160 1 0 KKAFMP C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2)CC1 ZINC000147947001 562839815 /nfs/dbraw/zinc/83/98/15/562839815.db2.gz HUUXJEYKBSKWTM-MUUNZHRXSA-N 2 1 515.683 5.540 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1ccncc1 ZINC000150351788 562843252 /nfs/dbraw/zinc/84/32/52/562843252.db2.gz JLDXHAUSADAHOL-WNKBNXJDSA-N 2 1 678.918 8.086 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1ccccn1 ZINC000150351832 562843255 /nfs/dbraw/zinc/84/32/55/562843255.db2.gz DEQWYFQOFSBLFO-WNKBNXJDSA-N 2 1 678.918 8.086 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1ccncc1 ZINC000150351790 562843259 /nfs/dbraw/zinc/84/32/59/562843259.db2.gz JLDXHAUSADAHOL-BNMQLMAQSA-N 2 1 678.918 8.086 1 0 KKAFMP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524262 562843654 /nfs/dbraw/zinc/84/36/54/562843654.db2.gz XOWSSUSVVZAUSO-HEVIKAOCSA-N 2 1 717.786 6.115 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N(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 ZINC000169318829 562856132 /nfs/dbraw/zinc/85/61/32/562856132.db2.gz GGSYKGUIQXQSOF-OIYPNHHMSA-N 2 1 618.866 5.643 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6ccccc6[C@@]56CC[N@@H+]5C[C@@H](CC)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000169318829 562856133 /nfs/dbraw/zinc/85/61/33/562856133.db2.gz GGSYKGUIQXQSOF-OIYPNHHMSA-N 2 1 618.866 5.643 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6ccccc6[C@@]56CC[N@H+]5C[C@@H](CC)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000169318829 562856134 /nfs/dbraw/zinc/85/61/34/562856134.db2.gz GGSYKGUIQXQSOF-OIYPNHHMSA-N 2 1 618.866 5.643 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCSc1nc2ccccc2[nH]1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327057 562858043 /nfs/dbraw/zinc/85/80/43/562858043.db2.gz PMGHXLLSLUSNAH-UHFFFAOYSA-N 2 1 667.758 6.916 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCSc1nc2ccccc2[nH]1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327057 562858044 /nfs/dbraw/zinc/85/80/44/562858044.db2.gz PMGHXLLSLUSNAH-UHFFFAOYSA-N 2 1 667.758 6.916 1 0 KKAFMP C[C@H]1C=C(CCCCCCC[C@H](O)C[NH+](C)CCC[N@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000169349363 562862499 /nfs/dbraw/zinc/86/24/99/562862499.db2.gz DUVCBEMHQGRCPF-FXZOGHEHSA-N 2 1 578.835 5.167 1 0 KKAFMP CC[C@@H]1C[N@H+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[NH+]2C[C@@H](CCO)[C@@H]6C[C@H]21 ZINC000299827879 562884264 /nfs/dbraw/zinc/88/42/64/562884264.db2.gz QAVRQLXVMMTXOP-RNRDQSGXSA-N 2 1 572.797 5.261 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@@H+]2C[C@@H](CCO)[C@@H]6C[C@H]21 ZINC000299827879 562884265 /nfs/dbraw/zinc/88/42/65/562884265.db2.gz QAVRQLXVMMTXOP-RNRDQSGXSA-N 2 1 572.797 5.261 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@H+]2C[C@@H](CCO)[C@@H]6C[C@H]21 ZINC000299827879 562884266 /nfs/dbraw/zinc/88/42/66/562884266.db2.gz QAVRQLXVMMTXOP-RNRDQSGXSA-N 2 1 572.797 5.261 1 0 KKAFMP Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4c5cc(N)ccc5[N@@H+](C)C=C4c4ccccc4)cc3)cc2)cc1 ZINC000377848937 562896518 /nfs/dbraw/zinc/89/65/18/562896518.db2.gz QAUDGRZDZRXFBN-UHFFFAOYSA-N 2 1 550.666 6.483 1 0 KKAFMP Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4c5cc(N)ccc5[N@H+](C)C=C4c4ccccc4)cc3)cc2)cc1 ZINC000377848937 562896519 /nfs/dbraw/zinc/89/65/19/562896519.db2.gz QAUDGRZDZRXFBN-UHFFFAOYSA-N 2 1 550.666 6.483 1 0 KKAFMP COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@H]([NH+](C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902557 /nfs/dbraw/zinc/90/25/57/562902557.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 2 1 577.169 5.891 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CCCC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473199099 562903750 /nfs/dbraw/zinc/90/37/50/562903750.db2.gz XTTWQCDADHLMSV-UILWBTOOSA-N 2 1 536.116 6.597 1 0 KKAFMP COc1ccc(C[C@@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609887 562905704 /nfs/dbraw/zinc/90/57/04/562905704.db2.gz WQZBBYANCHFELC-WJOKGBTCSA-N 2 1 556.751 5.060 1 0 KKAFMP COc1ccc(C[C@@H]2c3ccc(NCC[NH+]4CCCCC4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609887 562905705 /nfs/dbraw/zinc/90/57/05/562905705.db2.gz WQZBBYANCHFELC-WJOKGBTCSA-N 2 1 556.751 5.060 1 0 KKAFMP COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@@H]4CCC[N@H+]4C)c(F)c3)c2cc1OC ZINC000653864040 562916103 /nfs/dbraw/zinc/91/61/03/562916103.db2.gz KPUCSRWYMCPNNM-IRLDBZIGSA-N 2 1 592.115 6.650 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000084668877 565122464 /nfs/dbraw/zinc/12/24/64/565122464.db2.gz ODCYIKWOTVSPKB-IHLOFXLRSA-N 2 1 622.762 6.743 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@H+]1C ZINC000084668877 565122471 /nfs/dbraw/zinc/12/24/71/565122471.db2.gz ODCYIKWOTVSPKB-IHLOFXLRSA-N 2 1 622.762 6.743 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000085507925 565132302 /nfs/dbraw/zinc/13/23/02/565132302.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085507925 565132304 /nfs/dbraw/zinc/13/23/04/565132304.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085507925 565132312 /nfs/dbraw/zinc/13/23/12/565132312.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP C[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000013612214 561721996 /nfs/dbraw/zinc/72/19/96/561721996.db2.gz IIQODJRESHGVGO-UHFFFAOYSA-N 2 1 524.778 7.457 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000017611838 561757096 /nfs/dbraw/zinc/75/70/96/561757096.db2.gz JEKDOWMTUCHNIR-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000017611838 561757097 /nfs/dbraw/zinc/75/70/97/561757097.db2.gz JEKDOWMTUCHNIR-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000017611838 561757099 /nfs/dbraw/zinc/75/70/99/561757099.db2.gz JEKDOWMTUCHNIR-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 aggregator KKAFMP CC[NH+](CC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000023247614 561761363 /nfs/dbraw/zinc/76/13/63/561761363.db2.gz TYSIODYUHDFTRK-GKRYNVPLSA-N 2 1 532.764 5.214 1 0 KKAFMP Cc1[nH+]ccn1CCCCc1ccc(CC(=O)N[C@@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCC[NH3+])c2)cc1 ZINC000025963143 561762876 /nfs/dbraw/zinc/76/28/76/561762876.db2.gz YNCAROCYIGDSNF-UUWRZZSWSA-N 2 1 588.837 5.717 1 0 KKAFMP COc1ccc(C(=C(CCCCCCCCCCC[NH2+]CC[NH3+])c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000026280384 561778989 /nfs/dbraw/zinc/77/89/89/561778989.db2.gz BWVFHPGSCQSLRZ-UHFFFAOYSA-N 2 1 528.781 8.112 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026717594 561814489 /nfs/dbraw/zinc/81/44/89/561814489.db2.gz JAKIBYOBSIHNSU-UHFFFAOYSA-N 2 1 514.073 6.346 1 0 KKAFMP O[C@@H](C[NH2+]CCCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc21 ZINC000027090020 561837073 /nfs/dbraw/zinc/83/70/73/561837073.db2.gz UHJHHXUEKLRVRI-SXQNJKPJSA-N 2 1 617.762 6.110 1 0 KKAFMP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](C(c1ccccc1)c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027518388 561862245 /nfs/dbraw/zinc/86/22/45/561862245.db2.gz UDONPFJJAMEMDG-WJOKGBTCSA-N 2 1 631.705 7.534 1 0 KKAFMP Clc1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000027650794 561876607 /nfs/dbraw/zinc/87/66/07/561876607.db2.gz WCDHSWNZABELAC-UHFFFAOYSA-N 2 1 507.594 6.173 1 0 KKAFMP Cc1cccc(C[N@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027756426 561883638 /nfs/dbraw/zinc/88/36/38/561883638.db2.gz NJSVXVUUORFAEJ-UHFFFAOYSA-N 2 1 658.731 7.604 1 0 KKAFMP Cc1cccc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027756426 561883639 /nfs/dbraw/zinc/88/36/39/561883639.db2.gz NJSVXVUUORFAEJ-UHFFFAOYSA-N 2 1 658.731 7.604 1 0 KKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862038 561887110 /nfs/dbraw/zinc/88/71/10/561887110.db2.gz LTCRDAMONOLRGW-UHFFFAOYSA-N 2 1 500.341 7.667 1 0 KKAFMP Clc1ccc2c(c1Cl)C[NH+](CCCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862038 561887111 /nfs/dbraw/zinc/88/71/11/561887111.db2.gz LTCRDAMONOLRGW-UHFFFAOYSA-N 2 1 500.341 7.667 1 0 KKAFMP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)C[NH+](C)C)cc2)ccc1C[NH+]1CCCC1 ZINC000027863242 561887456 /nfs/dbraw/zinc/88/74/56/561887456.db2.gz GFJWUHJYTGWVPI-UHFFFAOYSA-N 2 1 529.706 5.969 1 0 KKAFMP C[N@H+]1CCCC[C@@H]1COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027868330 561888000 /nfs/dbraw/zinc/88/80/00/561888000.db2.gz DIXISCIHDAFNGJ-MUUNZHRXSA-N 2 1 540.773 7.497 1 0 KKAFMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000028528405 561933010 /nfs/dbraw/zinc/93/30/10/561933010.db2.gz AYCGNXRJKLUATE-SSEXGKCCSA-N 2 1 531.785 5.919 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714106 561954720 /nfs/dbraw/zinc/95/47/20/561954720.db2.gz UMGQDRKIBLYRBN-UNPBUSPFSA-N 2 1 576.801 5.875 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000028714106 561954721 /nfs/dbraw/zinc/95/47/21/561954721.db2.gz UMGQDRKIBLYRBN-UNPBUSPFSA-N 2 1 576.801 5.875 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000028714106 561954722 /nfs/dbraw/zinc/95/47/22/561954722.db2.gz UMGQDRKIBLYRBN-UNPBUSPFSA-N 2 1 576.801 5.875 1 0 KKAFMP Cc1ccccc1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(CCc3ccccc3Cl)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000028823658 561968333 /nfs/dbraw/zinc/96/83/33/561968333.db2.gz PHVXTQIROLEEDB-URLMMPGGSA-N 2 1 516.129 6.075 1 0 in-vitro KKAFMP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824068 561968808 /nfs/dbraw/zinc/96/88/08/561968808.db2.gz MWOKFIWZFMODNQ-VJGNERBWSA-N 2 1 565.124 6.177 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CC[NH+](CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824142 561969124 /nfs/dbraw/zinc/96/91/24/561969124.db2.gz KTWJIKZJTCIIJJ-MVIDNBQJSA-N 3 1 594.288 5.789 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCN(CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824142 561969126 /nfs/dbraw/zinc/96/91/26/561969126.db2.gz KTWJIKZJTCIIJJ-MVIDNBQJSA-N 2 1 594.288 5.789 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCN(CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824142 561969128 /nfs/dbraw/zinc/96/91/28/561969128.db2.gz KTWJIKZJTCIIJJ-MVIDNBQJSA-N 2 1 594.288 5.789 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000028824187 561969310 /nfs/dbraw/zinc/96/93/10/561969310.db2.gz UPSSNSWHMHYASA-UNRZKBSHSA-N 2 1 549.134 5.699 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824188 561969320 /nfs/dbraw/zinc/96/93/20/561969320.db2.gz UPSSNSWHMHYASA-LXQNXJGFSA-N 2 1 549.134 5.699 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864229 561972787 /nfs/dbraw/zinc/97/27/87/561972787.db2.gz NZSDKYVGCXLJBU-VWLOTQADSA-N 2 1 576.732 5.166 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@@H+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864229 561972788 /nfs/dbraw/zinc/97/27/88/561972788.db2.gz NZSDKYVGCXLJBU-VWLOTQADSA-N 2 1 576.732 5.166 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864229 561972789 /nfs/dbraw/zinc/97/27/89/561972789.db2.gz NZSDKYVGCXLJBU-VWLOTQADSA-N 2 1 576.732 5.166 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[N@@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972818 /nfs/dbraw/zinc/97/28/18/561972818.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[N@H+]1CCc1ccccn1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972819 /nfs/dbraw/zinc/97/28/19/561972819.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[NH+]1CCc1ccccn1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972820 /nfs/dbraw/zinc/97/28/20/561972820.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 2 1 620.144 5.040 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[NH+]1CCc1ccccn1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972821 /nfs/dbraw/zinc/97/28/21/561972821.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 2 1 620.144 5.040 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]CC4CCCCC4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953636 561982540 /nfs/dbraw/zinc/98/25/40/561982540.db2.gz XBMYHJWJLCMMKN-IHLOFXLRSA-N 2 1 543.240 5.781 1 0 KKAFMP O=C([C@H]1C[N@@H+](C2CCCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953898 561982641 /nfs/dbraw/zinc/98/26/41/561982641.db2.gz KDPONUBSAYPEAF-ZWXJPIIXSA-N 2 1 563.230 5.935 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(C(F)(F)F)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953984 561982772 /nfs/dbraw/zinc/98/27/72/561982772.db2.gz YJCRHFHXSRNMBX-IHLOFXLRSA-N 2 1 605.189 6.420 1 0 KKAFMP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c(OC)c1 ZINC000028954003 561982910 /nfs/dbraw/zinc/98/29/10/561982910.db2.gz VEEVBEYBFCDOJP-JSOSNVBQSA-N 2 1 597.244 5.418 1 0 KKAFMP CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3n(CC)c21 ZINC000028970247 561985719 /nfs/dbraw/zinc/98/57/19/561985719.db2.gz ZOZMQOQRAXCUJA-DRVSHGLUSA-N 2 1 620.882 7.748 1 0 in-vivo KKAFMP CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3n(CC)c21 ZINC000028970247 561985721 /nfs/dbraw/zinc/98/57/21/561985721.db2.gz ZOZMQOQRAXCUJA-DRVSHGLUSA-N 2 1 620.882 7.748 1 0 in-vivo KKAFMP CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3n(CC)c21 ZINC000028970247 561985723 /nfs/dbraw/zinc/98/57/23/561985723.db2.gz ZOZMQOQRAXCUJA-DRVSHGLUSA-N 2 1 620.882 7.748 1 0 in-vivo KKAFMP O=C([C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccncc3)CCCCC2)CC1 ZINC000028953942 561982737 /nfs/dbraw/zinc/98/27/37/561982737.db2.gz RZQPQZNRTRIAIA-SAIUNTKASA-N 2 1 586.224 5.588 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@]5(OC(C)=O)CC/C=C\CCCC[N@H+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042059 561991301 /nfs/dbraw/zinc/99/13/01/561991301.db2.gz CYJAFXVWQWMEGQ-IENUAVRKSA-N 2 1 648.848 7.352 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@]5(OC(C)=O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[N@@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042059 561991303 /nfs/dbraw/zinc/99/13/03/561991303.db2.gz CYJAFXVWQWMEGQ-IENUAVRKSA-N 2 1 648.848 7.352 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@]5(OC(C)=O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[N@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042059 561991305 /nfs/dbraw/zinc/99/13/05/561991305.db2.gz CYJAFXVWQWMEGQ-IENUAVRKSA-N 2 1 648.848 7.352 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CCCCCCCC[N@H+]6CC[C@H]4[C@@]4(C[C@H]7CCCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042150 561991342 /nfs/dbraw/zinc/99/13/42/561991342.db2.gz BHRFYFSYVSXAIC-PQWDKEBGSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CCCCCCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CCCCCC[N@@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042150 561991343 /nfs/dbraw/zinc/99/13/43/561991343.db2.gz BHRFYFSYVSXAIC-PQWDKEBGSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CCCCCCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CCCCCC[N@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042150 561991344 /nfs/dbraw/zinc/99/13/44/561991344.db2.gz BHRFYFSYVSXAIC-PQWDKEBGSA-N 2 1 568.806 7.009 1 0 KKAFMP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]c[nH+]4)c3=O)CC2)C(C)C)c1 ZINC000029063890 561996322 /nfs/dbraw/zinc/99/63/22/561996322.db2.gz GTBORSPXGZQYLC-MUUNZHRXSA-N 2 1 517.674 5.022 1 0 KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029130355 562002501 /nfs/dbraw/zinc/00/25/01/562002501.db2.gz VNNQRRDLFVIBEX-PZXMZKPCSA-N 2 1 634.668 5.670 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029390738 562017297 /nfs/dbraw/zinc/01/72/97/562017297.db2.gz HEABXBKCOZEPLO-ZRTHHSRSSA-N 2 1 615.690 6.337 1 0 KKAFMP CC(C)N(C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544987 562029454 /nfs/dbraw/zinc/02/94/54/562029454.db2.gz ALUBWPKFZRKPBI-LOYHVIPDSA-N 2 1 526.810 5.401 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc4cccnc43)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351656 562059014 /nfs/dbraw/zinc/05/90/14/562059014.db2.gz WTHCAMVZYWWKJH-BHVANESWSA-N 2 1 613.633 8.401 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc4cccnc43)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351656 562059016 /nfs/dbraw/zinc/05/90/16/562059016.db2.gz WTHCAMVZYWWKJH-BHVANESWSA-N 2 1 613.633 8.401 1 0 KKAFMP CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351734 562059130 /nfs/dbraw/zinc/05/91/30/562059130.db2.gz MHCFNPUPBDQPNI-HBVNVMGMSA-N 2 1 576.780 5.781 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(Cl)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351774 562059208 /nfs/dbraw/zinc/05/92/08/562059208.db2.gz PAOVRRFSIQMDKP-MGBGTMOVSA-N 2 1 597.030 8.506 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(Cl)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351774 562059209 /nfs/dbraw/zinc/05/92/09/562059209.db2.gz PAOVRRFSIQMDKP-MGBGTMOVSA-N 2 1 597.030 8.506 1 0 KKAFMP C[N@@H+](CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040862676 562080904 /nfs/dbraw/zinc/08/09/04/562080904.db2.gz UCQNMJXTWOYVNH-UHFFFAOYSA-N 2 1 536.185 7.720 1 0 in-vitro KKAFMP Fc1ccc(Cn2c3ccccc3nc2N2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000040918301 562084256 /nfs/dbraw/zinc/08/42/56/562084256.db2.gz WXSAGLCBIDTEKI-UHFFFAOYSA-N 2 1 529.063 6.050 1 0 KKAFMP CCN(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000042784687 562087716 /nfs/dbraw/zinc/08/77/16/562087716.db2.gz YCGNDFOYUIBXSD-HEVIKAOCSA-N 2 1 622.810 5.488 1 0 KKAFMP CC(=O)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000043063438 562645240 /nfs/dbraw/zinc/64/52/40/562645240.db2.gz HQPISMGZXLHBTG-PKZQBKLLSA-N 2 1 560.774 5.129 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cn4)cc3)nc2c1 ZINC000043075599 562645720 /nfs/dbraw/zinc/64/57/20/562645720.db2.gz CZUYMPZIDJERTC-UHFFFAOYSA-N 2 1 571.689 6.607 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)nc3)nc2c1 ZINC000043075599 562645721 /nfs/dbraw/zinc/64/57/21/562645721.db2.gz CZUYMPZIDJERTC-UHFFFAOYSA-N 2 1 571.689 6.607 1 0 KKAFMP O=C1[C@@H]2CCCCCC[NH+]2[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 562652851 /nfs/dbraw/zinc/65/28/51/562652851.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1[C@@H]2CCCCCC[NH+]2[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 562652852 /nfs/dbraw/zinc/65/28/52/562652852.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1[C@@H]2CCCCCC[N@H+]2[C@@H]2[C@]13C[NH+]1CC[C@H]3C(c3nccc4c5cc(O)ccc5[nH]c43)=C[C@@]2(O)CC/C=C\CCCC1 ZINC000044280275 562652853 /nfs/dbraw/zinc/65/28/53/562652853.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1[C@@H]2CCCCCC[N@@H+]2[C@@H]2[C@]13C[NH+]1CC[C@H]3C(c3nccc4c5cc(O)ccc5[nH]c43)=C[C@@]2(O)CC/C=C\CCCC1 ZINC000044280275 562652854 /nfs/dbraw/zinc/65/28/54/562652854.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 2 1 580.773 5.964 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1cccc([C@@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044281452 562653107 /nfs/dbraw/zinc/65/31/07/562653107.db2.gz KDWOPADIGXTVPB-BZLZRHATSA-N 2 1 562.751 5.253 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1cccc([C@@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044281452 562653108 /nfs/dbraw/zinc/65/31/08/562653108.db2.gz KDWOPADIGXTVPB-BZLZRHATSA-N 2 1 562.751 5.253 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000044308261 562654248 /nfs/dbraw/zinc/65/42/48/562654248.db2.gz BIQLCSCFEQRHME-WDYNHAJCSA-N 2 1 608.735 6.820 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)nc3)nc2c1 ZINC000044351468 562654664 /nfs/dbraw/zinc/65/46/64/562654664.db2.gz AXYRSXLUHYNDFB-UHFFFAOYSA-N 2 1 583.744 6.600 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cn4)cc3)nc2c1 ZINC000044351468 562654665 /nfs/dbraw/zinc/65/46/65/562654665.db2.gz AXYRSXLUHYNDFB-UHFFFAOYSA-N 2 1 583.744 6.600 1 0 KKAFMP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)C[C@H](C)[NH2+]1 ZINC000044351801 562654849 /nfs/dbraw/zinc/65/48/49/562654849.db2.gz HUZZCXSPSDWSTD-WMPKNSHKSA-N 2 1 636.808 6.105 1 0 KKAFMP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)C[C@H](C)[NH2+]1 ZINC000044351801 562654850 /nfs/dbraw/zinc/65/48/50/562654850.db2.gz HUZZCXSPSDWSTD-WMPKNSHKSA-N 2 1 636.808 6.105 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(N(C)c4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044352169 562655009 /nfs/dbraw/zinc/65/50/09/562655009.db2.gz WOYQLNAUPMZPEW-UHFFFAOYSA-N 2 1 583.744 7.188 1 0 KKAFMP O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045202284 562659135 /nfs/dbraw/zinc/65/91/35/562659135.db2.gz ZBDZEYAECHAHIP-NDEPHWFRSA-N 2 1 528.697 6.130 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N1CCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045245350 562659753 /nfs/dbraw/zinc/65/97/53/562659753.db2.gz PZPRCQDQUVGRPJ-UHFFFAOYSA-N 2 1 520.681 5.611 1 0 KKAFMP FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)[nH]c2c1 ZINC000045334516 562661293 /nfs/dbraw/zinc/66/12/93/562661293.db2.gz UHBKHVADSVTRRB-UHFFFAOYSA-N 2 1 513.567 6.633 1 0 KKAFMP FC(F)(F)c1ccc(N2CCC[N@@H+](Cc3cccc(-c4ccccc4C[NH2+]Cc4ccc5c(c4)OCO5)c3)CC2)nc1 ZINC000049605037 562665266 /nfs/dbraw/zinc/66/52/66/562665266.db2.gz LFJFNHHZEMRJLJ-UHFFFAOYSA-N 2 1 574.647 6.498 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605079 562665329 /nfs/dbraw/zinc/66/53/29/562665329.db2.gz JZOXKXJFMJGKGZ-UHFFFAOYSA-N 2 1 610.843 6.309 1 0 KKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049605820 562666353 /nfs/dbraw/zinc/66/63/53/562666353.db2.gz JMWAICNUPCOKSO-VWLOTQADSA-N 2 1 538.519 6.041 1 0 KKAFMP Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000049625669 562666849 /nfs/dbraw/zinc/66/68/49/562666849.db2.gz VLCKOBXVABWMGU-IBGZPJMESA-N 2 1 548.474 5.992 1 0 KKAFMP Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000049625669 562666850 /nfs/dbraw/zinc/66/68/50/562666850.db2.gz VLCKOBXVABWMGU-IBGZPJMESA-N 2 1 548.474 5.992 1 0 KKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(Br)c(OC)c(OC)cc21 ZINC000049626802 562667312 /nfs/dbraw/zinc/66/73/12/562667312.db2.gz ZQTZIPBQZOIPEP-DKMQYJSJSA-N 2 1 559.545 5.706 1 0 KKAFMP COc1ccc(C(=O)CCC(=O)N(CC[C@H]2CCC[N@H+]2C)Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049626927 562667439 /nfs/dbraw/zinc/66/74/39/562667439.db2.gz LEHJSOOXHVVXMH-UUWRZZSWSA-N 2 1 714.904 6.108 1 0 KKAFMP COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)[nH+]c5cc(C)ccc54)cc3)CC2)cc1 ZINC000049677744 562668300 /nfs/dbraw/zinc/66/83/00/562668300.db2.gz XUHLUGUZGFIDEE-UHFFFAOYSA-N 2 1 538.696 5.476 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)NC2CCCCC2)CC1 ZINC000049722940 562672673 /nfs/dbraw/zinc/67/26/73/562672673.db2.gz KLOZLPBEPPWRFO-UHFFFAOYSA-N 2 1 611.831 5.854 1 0 KKAFMP CCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761865 562676194 /nfs/dbraw/zinc/67/61/94/562676194.db2.gz VMTOMWOLENGTLM-ZAABFZCJSA-N 2 1 633.881 7.594 1 0 KKAFMP CCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761865 562676195 /nfs/dbraw/zinc/67/61/95/562676195.db2.gz VMTOMWOLENGTLM-ZAABFZCJSA-N 2 1 633.881 7.594 1 0 KKAFMP CCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761865 562676196 /nfs/dbraw/zinc/67/61/96/562676196.db2.gz VMTOMWOLENGTLM-ZAABFZCJSA-N 2 1 633.881 7.594 1 0 KKAFMP CCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049762321 562676446 /nfs/dbraw/zinc/67/64/46/562676446.db2.gz AJIFWFPFMZMPKU-XSASESFASA-N 2 1 619.854 7.204 1 0 KKAFMP CCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049762321 562676447 /nfs/dbraw/zinc/67/64/47/562676447.db2.gz AJIFWFPFMZMPKU-XSASESFASA-N 2 1 619.854 7.204 1 0 KKAFMP CCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049762321 562676448 /nfs/dbraw/zinc/67/64/48/562676448.db2.gz AJIFWFPFMZMPKU-XSASESFASA-N 2 1 619.854 7.204 1 0 KKAFMP CCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762324 562676455 /nfs/dbraw/zinc/67/64/55/562676455.db2.gz VNXFBCWVBBRPMP-CCERQUPFSA-N 2 1 633.881 7.594 1 0 KKAFMP CCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049762324 562676456 /nfs/dbraw/zinc/67/64/56/562676456.db2.gz VNXFBCWVBBRPMP-CCERQUPFSA-N 2 1 633.881 7.594 1 0 KKAFMP CCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049762324 562676457 /nfs/dbraw/zinc/67/64/57/562676457.db2.gz VNXFBCWVBBRPMP-CCERQUPFSA-N 2 1 633.881 7.594 1 0 KKAFMP CC(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771743 562678385 /nfs/dbraw/zinc/67/83/85/562678385.db2.gz YIEAVUAOOPJZIL-KHEZBOFISA-N 2 1 633.881 7.450 1 0 KKAFMP CC(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771743 562678386 /nfs/dbraw/zinc/67/83/86/562678386.db2.gz YIEAVUAOOPJZIL-KHEZBOFISA-N 2 1 633.881 7.450 1 0 KKAFMP CC(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771743 562678387 /nfs/dbraw/zinc/67/83/87/562678387.db2.gz YIEAVUAOOPJZIL-KHEZBOFISA-N 2 1 633.881 7.450 1 0 KKAFMP Clc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685840 /nfs/dbraw/zinc/68/58/40/562685840.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685841 /nfs/dbraw/zinc/68/58/41/562685841.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685842 /nfs/dbraw/zinc/68/58/42/562685842.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685843 /nfs/dbraw/zinc/68/58/43/562685843.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 2 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685844 /nfs/dbraw/zinc/68/58/44/562685844.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 2 1 724.865 7.357 1 0 KKAFMP O=C(OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000049844711 562688553 /nfs/dbraw/zinc/68/85/53/562688553.db2.gz OXJGPZFAZUEPIX-UHFFFAOYSA-N 2 1 682.853 7.428 1 0 in-vitro KKAFMP CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917584 562693637 /nfs/dbraw/zinc/69/36/37/562693637.db2.gz IKEZPWSTUBREGN-WBAOKVOOSA-N 2 1 622.851 5.212 1 0 KKAFMP COc1cc(N[C@H]2CCC[C@@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)[nH+]c2ccccc21 ZINC000049917854 562694040 /nfs/dbraw/zinc/69/40/40/562694040.db2.gz CRKRTZSDQVCDCH-RPWUZVMVSA-N 2 1 540.689 5.948 1 0 KKAFMP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049942237 562695376 /nfs/dbraw/zinc/69/53/76/562695376.db2.gz BVWCYHRUYZIHDM-BINWWWHHSA-N 3 1 729.858 7.626 1 0 KKAFMP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000058600011 562700868 /nfs/dbraw/zinc/70/08/68/562700868.db2.gz HLKCUDXXFULFRD-VOTWKOMSSA-N 2 1 654.891 6.200 1 0 KKAFMP CC[C@@H](C)C[C@H](NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])CCCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)NCCCc1ccccc1 ZINC000064437240 562705275 /nfs/dbraw/zinc/70/52/75/562705275.db2.gz BTJIOQIVSIPVBA-ARVWSKGKSA-N 2 1 628.902 5.649 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073969 562709625 /nfs/dbraw/zinc/70/96/25/562709625.db2.gz RXIFDJMCJKEING-MGBGTMOVSA-N 2 1 606.815 5.653 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073969 562709626 /nfs/dbraw/zinc/70/96/26/562709626.db2.gz RXIFDJMCJKEING-MGBGTMOVSA-N 2 1 606.815 5.653 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112395 562712016 /nfs/dbraw/zinc/71/20/16/562712016.db2.gz LKMTURFCSVFFPV-PGUFJCEWSA-N 2 1 634.869 6.433 1 0 KKAFMP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@H+](C3CCCCC3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116556 562723134 /nfs/dbraw/zinc/72/31/34/562723134.db2.gz DVCHKKPWEQUYSV-UHFFFAOYSA-N 3 1 607.888 5.633 1 0 KKAFMP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCC[N@H+](C(C)C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118183 562723429 /nfs/dbraw/zinc/72/34/29/562723429.db2.gz PMHNIDJCQQOZAE-UHFFFAOYSA-N 3 1 581.850 5.098 1 0 KKAFMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758694 562752726 /nfs/dbraw/zinc/75/27/26/562752726.db2.gz YHGLBPUDIFJMHI-DEOSSOPVSA-N 2 1 552.706 6.795 1 0 KKAFMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758694 562752727 /nfs/dbraw/zinc/75/27/27/562752727.db2.gz YHGLBPUDIFJMHI-DEOSSOPVSA-N 2 1 552.706 6.795 1 0 KKAFMP COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@@H]5C2)OCO4)CC[NH+]1C ZINC000084858031 562753067 /nfs/dbraw/zinc/75/30/67/562753067.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 2 1 606.719 6.874 1 0 KKAFMP C[NH+](CCNC(=O)CCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536866 562754202 /nfs/dbraw/zinc/75/42/02/562754202.db2.gz YZRINCXVZSNLME-UHFFFAOYSA-N 2 1 805.767 6.082 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 562757635 /nfs/dbraw/zinc/75/76/35/562757635.db2.gz BZEWCHJVLHXDJE-DHUJRADRSA-N 2 1 628.648 8.243 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 562757636 /nfs/dbraw/zinc/75/76/36/562757636.db2.gz BZEWCHJVLHXDJE-DHUJRADRSA-N 2 1 628.648 8.243 1 0 KKAFMP C[N@@H+](CCCC[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)N1C[C@H](c2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C(=O)C1=O)Cc1ccc(-c2ccccc2)cc1 ZINC000095545653 562758199 /nfs/dbraw/zinc/75/81/99/562758199.db2.gz KVKJWUMNBHRFJC-NWFOJYHTSA-N 2 1 823.909 10.743 3 0 KKAFMP CC[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095579507 562771562 /nfs/dbraw/zinc/77/15/62/562771562.db2.gz XFIYFWAYRZWUOS-UHFFFAOYSA-N 2 1 548.156 7.043 1 0 KKAFMP CC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095580080 562771745 /nfs/dbraw/zinc/77/17/45/562771745.db2.gz SWNXUFFUARZIDF-UHFFFAOYSA-N 2 1 548.156 7.043 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593761 562776321 /nfs/dbraw/zinc/77/63/21/562776321.db2.gz LJPZHNSFIRHOCI-UHFFFAOYSA-N 2 1 619.529 5.567 1 0 KKAFMP CC[NH+](CCCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCCCCC[N@H+](CC)Cc3ccccc3OC)C4=O)cc2C1=O)Cc1ccccc1OC ZINC000095615976 562787680 /nfs/dbraw/zinc/78/76/80/562787680.db2.gz BLQXTZGJGNTPNF-UHFFFAOYSA-N 2 1 787.014 8.728 1 0 KKAFMP CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284379 562795119 /nfs/dbraw/zinc/79/51/19/562795119.db2.gz BKWGSIZDACKFHE-PMERELPUSA-N 2 1 537.708 5.622 1 0 KKAFMP CC[N@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284379 562795120 /nfs/dbraw/zinc/79/51/20/562795120.db2.gz BKWGSIZDACKFHE-PMERELPUSA-N 2 1 537.708 5.622 1 0 KKAFMP O=c1cc(-c2ccccc2)oc2cc(OCCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285562 562795833 /nfs/dbraw/zinc/79/58/33/562795833.db2.gz DDOHQRNJXWAFAL-UHFFFAOYSA-N 2 1 630.833 7.556 1 0 KKAFMP [NH3+]Cc1ccccc1C1(O)CC[NH+](C(c2ccccc2Br)c2ccccc2Br)CC1 ZINC000096318641 562796560 /nfs/dbraw/zinc/79/65/60/562796560.db2.gz QWSQQNFWDKWSHF-UHFFFAOYSA-N 2 1 530.304 5.743 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000096319071 562796605 /nfs/dbraw/zinc/79/66/05/562796605.db2.gz TWSXEPWFFLQDCT-DQRAZHGCSA-N 2 1 614.234 5.052 1 0 KKAFMP CN1CC[NH+](CCC(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3-c3nc4ccccc4c(NCCC[NH+](C)C)n3)cc2)CC1 ZINC000096908892 562799465 /nfs/dbraw/zinc/79/94/65/562799465.db2.gz JLJVOVRSGZHKPB-UHFFFAOYSA-N 2 1 629.209 5.142 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000101525519 562811239 /nfs/dbraw/zinc/81/12/39/562811239.db2.gz BMQGIPHCTZAMMW-YHTXFFTCSA-N 2 1 532.732 6.777 1 0 KKAFMP C[N@H+]1CCC[C@@H]1CC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696336 562811853 /nfs/dbraw/zinc/81/18/53/562811853.db2.gz UAUUAICBVJBOLW-HSZRJFAPSA-N 2 1 610.780 6.067 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101812236 562812194 /nfs/dbraw/zinc/81/21/94/562812194.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101812236 562812195 /nfs/dbraw/zinc/81/21/95/562812195.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 2 1 510.744 6.321 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCC[NH+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101825438 562812216 /nfs/dbraw/zinc/81/22/16/562812216.db2.gz MGVZVGPAKQTLIX-RLPLKTQASA-N 2 1 581.805 6.134 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCC[N@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101825438 562812217 /nfs/dbraw/zinc/81/22/17/562812217.db2.gz MGVZVGPAKQTLIX-RLPLKTQASA-N 2 1 581.805 6.134 1 0 KKAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCC[N@@H+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101825438 562812218 /nfs/dbraw/zinc/81/22/18/562812218.db2.gz MGVZVGPAKQTLIX-RLPLKTQASA-N 2 1 581.805 6.134 1 0 KKAFMP CN(C)[C@@H]1CCC[N@@H+](CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146442215 562838572 /nfs/dbraw/zinc/83/85/72/562838572.db2.gz UULIHMCCZFOKID-AREMUKBSSA-N 2 1 547.817 5.108 1 0 KKAFMP C[NH+]1CCC(Oc2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2)CC1 ZINC000147946768 562839776 /nfs/dbraw/zinc/83/97/76/562839776.db2.gz HUUXJEYKBSKWTM-NDEPHWFRSA-N 2 1 515.683 5.540 1 0 KKAFMP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@@H+](C)CC5)c(O)c1-3 ZINC000150523062 562843555 /nfs/dbraw/zinc/84/35/55/562843555.db2.gz STGBYQRLSYKRRZ-KKLWWLSJSA-N 2 1 730.906 5.853 1 0 KKAFMP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@@H+](C)CC5)c(O)c1-3 ZINC000150523071 562843625 /nfs/dbraw/zinc/84/36/25/562843625.db2.gz NTQMYHKKRHULRZ-XPSQVAKYSA-N 2 1 787.014 7.413 1 0 KKAFMP O=C(NCCNc1ccnc2cc(Cl)ccc21)[C@H](Cc1ccccc1)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccccc1)C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000150560179 562844878 /nfs/dbraw/zinc/84/48/78/562844878.db2.gz IKNHFOBVODXQFV-UWXQCODUSA-N 2 1 815.762 6.189 1 0 KKAFMP C[C@@H]1C[C@H](C)C[NH+](C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)C[N@@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000150572375 562845161 /nfs/dbraw/zinc/84/51/61/562845161.db2.gz MSTVIUSEPJSWBX-DPBRMJAHSA-N 2 1 882.411 8.498 1 0 KKAFMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)C[N@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000150572375 562845162 /nfs/dbraw/zinc/84/51/62/562845162.db2.gz MSTVIUSEPJSWBX-DPBRMJAHSA-N 2 1 882.411 8.498 1 0 KKAFMP C[C@@H]1C[C@H](C)C[NH+](C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)C[N@@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000150572375 562845163 /nfs/dbraw/zinc/84/51/63/562845163.db2.gz MSTVIUSEPJSWBX-DPBRMJAHSA-N 2 1 882.411 8.498 1 0 KKAFMP C[C@@H]1C[C@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7ccc(C(=[NH2+])N8C[C@@H](C)C[C@H](C)C8)cc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000163403405 562849368 /nfs/dbraw/zinc/84/93/68/562849368.db2.gz YOTKYPMFBCPZTK-LAJGZZDBSA-N 2 1 678.885 9.172 1 0 KKAFMP C[C@@H]1C[C@H](C)CN(C(=[NH2+])c2ccc3nc(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8C[C@@H](C)C[C@H](C)C8)ccc7[nH]6)cc5)cc4)[nH]c3c2)C1 ZINC000163403405 562849369 /nfs/dbraw/zinc/84/93/69/562849369.db2.gz YOTKYPMFBCPZTK-LAJGZZDBSA-N 2 1 678.885 9.172 1 0 KKAFMP C[C@@H]1C[C@@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7ccc(C(=[NH2+])N8C[C@H](C)C[C@H](C)C8)cc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000163403528 562849375 /nfs/dbraw/zinc/84/93/75/562849375.db2.gz YOTKYPMFBCPZTK-HPQIJTKRSA-N 2 1 678.885 9.172 1 0 KKAFMP C[C@@H]1C[C@@H](C)CN(C(=[NH2+])c2ccc3nc(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8C[C@H](C)C[C@H](C)C8)ccc7[nH]6)cc5)cc4)[nH]c3c2)C1 ZINC000163403528 562849376 /nfs/dbraw/zinc/84/93/76/562849376.db2.gz YOTKYPMFBCPZTK-HPQIJTKRSA-N 2 1 678.885 9.172 1 0 KKAFMP C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299866181 562894601 /nfs/dbraw/zinc/89/46/01/562894601.db2.gz OQCFGGOXRNFFJG-YUGCFENPSA-N 2 1 545.683 5.790 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299867316 562894829 /nfs/dbraw/zinc/89/48/29/562894829.db2.gz QDLRHMZRLCCZQC-SVBGJNGRSA-N 2 1 557.694 5.936 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299870690 562895534 /nfs/dbraw/zinc/89/55/34/562895534.db2.gz WSGCGGATBVZWKD-OJWOXQGASA-N 2 1 571.721 6.326 1 0 KKAFMP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C(C)[N@H+](CC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848938 562896506 /nfs/dbraw/zinc/89/65/06/562896506.db2.gz QOQDLOGWNNVPTB-UHFFFAOYSA-O 2 1 532.672 5.670 1 0 KKAFMP CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC000473243815 562904737 /nfs/dbraw/zinc/90/47/37/562904737.db2.gz BSHFGOYYZAPXPK-WXUXXXNLSA-N 2 1 585.793 5.238 1 0 KKAFMP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000066156584 565116718 /nfs/dbraw/zinc/11/67/18/565116718.db2.gz ANOXEUSGZWSCQL-KYJUHHDHSA-N 2 1 622.762 7.162 3 0 biogenic,in-vitro KKAFMP COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](C[N@@H+]3C)C4)c(OC)cc2CC[NH+]1C ZINC000095485887 565173483 /nfs/dbraw/zinc/17/34/83/565173483.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 2 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMP COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](C[N@H+]3C)C4)c(OC)cc2CC[NH+]1C ZINC000095485887 565173488 /nfs/dbraw/zinc/17/34/88/565173488.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 2 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMP C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)[nH+]c5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568355 291951980 /nfs/dbraw/zinc/95/19/80/291951980.db2.gz PXXJCJJHFMGQBV-OVTDWZCSSA-N 2 1 681.786 5.286 1 0 biogenic,in-vitro KKAFMP C[NH2+][C@H]1C=Cc2c([C@H]3Oc4c(ccc5c4[C@]4(CC[C@H](Cc6ccc(N)[nH+]c6)C4)Cc4cc(O)cc(OC)c4-5)[C@@H]3COC(C)=O)ccc(O)c2OC1 ZINC000085568341 291957105 /nfs/dbraw/zinc/95/71/05/291957105.db2.gz AUPGUQJJKCMVBE-YAPZVVLTSA-N 2 1 689.809 6.361 1 0 biogenic,in-vitro KKAFMP C[NH+]1CCN(c2cc[nH+]c3cc4c(cc32)N(C(=O)Nc2ccc(-c3ccncc3)c3ccccc23)CC4)CC1 ZINC000003940537 561689294 /nfs/dbraw/zinc/68/92/94/561689294.db2.gz WPPHYUSGNVCERB-UHFFFAOYSA-N 2 1 514.633 5.796 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccncc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987149 561692906 /nfs/dbraw/zinc/69/29/06/561692906.db2.gz XSLYYJWTXUSRQA-YTTGMZPUSA-N 2 1 563.573 7.248 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccncc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987149 561692908 /nfs/dbraw/zinc/69/29/08/561692908.db2.gz XSLYYJWTXUSRQA-YTTGMZPUSA-N 2 1 563.573 7.248 1 0 KKAFMP COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026573451 561798530 /nfs/dbraw/zinc/79/85/30/561798530.db2.gz RQCZULDYXOGDBE-KXQOOQHDSA-N 2 1 723.742 6.001 1 0 KKAFMP O=C(OCc1ccccc1)[C@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823082 561821499 /nfs/dbraw/zinc/82/14/99/561821499.db2.gz MWARYVUQVJIHTP-VYSOZWTASA-N 2 1 608.867 7.244 1 0 KKAFMP O=C(OCc1ccccc1)[C@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823082 561821501 /nfs/dbraw/zinc/82/15/01/561821501.db2.gz MWARYVUQVJIHTP-VYSOZWTASA-N 2 1 608.867 7.244 1 0 KKAFMP CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943004 561828171 /nfs/dbraw/zinc/82/81/71/561828171.db2.gz MOQHJLOTQRZQSC-ZKOPVQMJSA-N 2 1 752.400 5.937 1 0 KKAFMP CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000026943004 561828173 /nfs/dbraw/zinc/82/81/73/561828173.db2.gz MOQHJLOTQRZQSC-ZKOPVQMJSA-N 2 1 752.400 5.937 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCCCCCC[NH2+]CCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027433058 561859577 /nfs/dbraw/zinc/85/95/77/561859577.db2.gz GHMZAGGRDVKUQN-UHFFFAOYSA-N 2 1 538.567 8.324 1 0 KKAFMP C[NH2+]CCCCCC[N@@H+](C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 ZINC000027546572 561866946 /nfs/dbraw/zinc/86/69/46/561866946.db2.gz DEJRQWNKBLUKLC-UHFFFAOYSA-N 2 1 607.844 5.210 1 0 KKAFMP C[NH2+]CCCCCC[N@H+](C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)cc1 ZINC000027546572 561866948 /nfs/dbraw/zinc/86/69/48/561866948.db2.gz DEJRQWNKBLUKLC-UHFFFAOYSA-N 3 1 607.844 5.210 1 0 KKAFMP C[NH2+]CCCCCC[N@@H+](C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)cc1 ZINC000027546572 561866949 /nfs/dbraw/zinc/86/69/49/561866949.db2.gz DEJRQWNKBLUKLC-UHFFFAOYSA-N 3 1 607.844 5.210 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4ccc(Oc5ccccc5)cc4)Cc4ccc(Oc5ccccc5)cc4)CC3)cc[nH+]c2c1 ZINC000027639641 561875179 /nfs/dbraw/zinc/87/51/79/561875179.db2.gz MTECXWVPBDBRLY-UHFFFAOYSA-N 3 1 726.365 9.985 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@H+](Cc3ccccc3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027767600 561884747 /nfs/dbraw/zinc/88/47/47/561884747.db2.gz BMDSNPDWLYBFNN-UHFFFAOYSA-N 2 1 590.734 6.585 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[N@@H+](Cc3ccccc3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027767600 561884749 /nfs/dbraw/zinc/88/47/49/561884749.db2.gz BMDSNPDWLYBFNN-UHFFFAOYSA-N 2 1 590.734 6.585 1 0 KKAFMP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[NH+](Cc3cccc(C(F)(F)F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027845339 561885569 /nfs/dbraw/zinc/88/55/69/561885569.db2.gz CXGJDODPTMVVDT-UHFFFAOYSA-N 2 1 658.731 7.604 1 0 KKAFMP CCC[NH+](CCC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027864926 561887563 /nfs/dbraw/zinc/88/75/63/561887563.db2.gz KFFUJJZHHFGBET-CZNDPXEESA-N 2 1 616.250 5.053 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000028118220 561904111 /nfs/dbraw/zinc/90/41/11/561904111.db2.gz JFXCXQOKAKRIBF-NRFANRHFSA-N 2 1 571.515 7.258 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028117779 561904133 /nfs/dbraw/zinc/90/41/33/561904133.db2.gz OYAAORMDJYHTDT-FQEVSTJZSA-N 2 1 639.512 8.277 1 0 KKAFMP CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC(c1ccccc1)c1ccccc1 ZINC000028124450 561904800 /nfs/dbraw/zinc/90/48/00/561904800.db2.gz LYJTYWBVFKIGFN-UHFFFAOYSA-N 2 1 545.815 7.417 1 0 KKAFMP Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[N@H+]1CCC[C@H]1CO ZINC000028223490 561907568 /nfs/dbraw/zinc/90/75/68/561907568.db2.gz KBRDGNDCITUWJY-NDEPHWFRSA-N 2 1 556.772 6.604 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645960 561944640 /nfs/dbraw/zinc/94/46/40/561944640.db2.gz AWNPJZLYWXFSRD-DHUJRADRSA-N 2 1 545.762 7.086 1 0 KKAFMP Fc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000028646174 561944816 /nfs/dbraw/zinc/94/48/16/561944816.db2.gz KNBPAEKLDLQFCP-PSXMRANNSA-N 2 1 550.766 6.483 1 0 KKAFMP CCCN(CC[NH+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC[N@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714056 561954659 /nfs/dbraw/zinc/95/46/59/561954659.db2.gz QYPHOWGWZYJGEX-BIWJUTDKSA-N 2 1 623.886 5.335 1 0 KKAFMP C[C@H]([NH2+]CCCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824130 561968973 /nfs/dbraw/zinc/96/89/73/561968973.db2.gz QTZHZSUFNWXXCM-QHCPKHFHSA-N 2 1 548.131 6.627 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCCCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824115 561969041 /nfs/dbraw/zinc/96/90/41/561969041.db2.gz KWNMRUIZRGSHAC-FLBADVGZSA-N 2 1 537.192 6.001 1 0 KKAFMP CCN1CCC([N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)N3CCN(c4ccc(C)cc4[C@@H]([NH3+])C(C)C)CC3)C2)CC1 ZINC000028824140 561969193 /nfs/dbraw/zinc/96/91/93/561969193.db2.gz GIYNCSADTPBMSI-WTGSTYHVSA-N 2 1 566.234 5.153 1 0 KKAFMP CC[NH+]1CCC([N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)N3CCN(c4ccc(C)cc4[C@@H]([NH3+])C(C)C)CC3)C2)CC1 ZINC000028824140 561969195 /nfs/dbraw/zinc/96/91/95/561969195.db2.gz GIYNCSADTPBMSI-WTGSTYHVSA-N 3 1 566.234 5.153 1 0 KKAFMP CC[NH+]1CCC([N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)N3CCN(c4ccc(C)cc4[C@@H]([NH3+])C(C)C)CC3)C2)CC1 ZINC000028824140 561969196 /nfs/dbraw/zinc/96/91/96/561969196.db2.gz GIYNCSADTPBMSI-WTGSTYHVSA-N 3 1 566.234 5.153 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C3CCCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824184 561969324 /nfs/dbraw/zinc/96/93/24/561969324.db2.gz DYZKLCKHTWVRLI-REUBFRLUSA-N 2 1 527.128 5.442 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000028824336 561969567 /nfs/dbraw/zinc/96/95/67/561969567.db2.gz ACRMJAQSELDLDA-QXIHQKPUSA-N 2 1 633.586 7.232 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 561972852 /nfs/dbraw/zinc/97/28/52/561972852.db2.gz ISNGXRPSKCDGJO-LJAQVGFWSA-N 2 1 598.738 5.566 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@@H+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 561972853 /nfs/dbraw/zinc/97/28/53/561972853.db2.gz ISNGXRPSKCDGJO-LJAQVGFWSA-N 2 1 598.738 5.566 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@H+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 561972855 /nfs/dbraw/zinc/97/28/55/561972855.db2.gz ISNGXRPSKCDGJO-LJAQVGFWSA-N 2 1 598.738 5.566 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[N@H+](C[C@@H]3CCCN3Cc3ccccn3)C1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973138 /nfs/dbraw/zinc/97/31/38/561973138.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 2 1 689.251 5.320 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[N@@H+](C[C@@H]3CCCN3Cc3ccccn3)C1)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973139 /nfs/dbraw/zinc/97/31/39/561973139.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 2 1 689.251 5.320 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[NH+](C[C@@H]3CCCN3Cc3ccccn3)C1)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973140 /nfs/dbraw/zinc/97/31/40/561973140.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 2 1 689.251 5.320 1 0 KKAFMP O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[NH+](C[C@@H]3CCCN3Cc3ccccn3)C1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973141 /nfs/dbraw/zinc/97/31/41/561973141.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 2 1 689.251 5.320 1 0 KKAFMP O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CC[NH+](C2CC2)CC1 ZINC000028889720 561978173 /nfs/dbraw/zinc/97/81/73/561978173.db2.gz DRSNERFYQQUTOQ-RBTNQOKQSA-N 2 1 561.101 6.108 1 0 KKAFMP CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960162 561983910 /nfs/dbraw/zinc/98/39/10/561983910.db2.gz OWQSNMHDTXCBSD-YPKYBTACSA-N 2 1 664.257 6.287 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@H](C(C)C)[NH+](C)C)c1 ZINC000028959993 561983971 /nfs/dbraw/zinc/98/39/71/561983971.db2.gz SKRQEVGQQHAXMU-LXQNXJGFSA-N 2 1 525.181 5.680 1 0 KKAFMP Cc1ccc(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@H+]7CC[C@@H]5[C@]5(C[C@H]8C=CCCCC[NH+]8[C@H]56)C7)c4[nH]c32)cc1 ZINC000028970220 561985773 /nfs/dbraw/zinc/98/57/73/561985773.db2.gz YYODILDWWWVNHZ-YYCRHTIOSA-N 2 1 718.964 7.932 1 0 in-vivo KKAFMP Cc1ccc(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@@H]5[C@]5(C[C@H]8C=CCCCC[N@@H+]8[C@H]56)C7)c4[nH]c32)cc1 ZINC000028970220 561985776 /nfs/dbraw/zinc/98/57/76/561985776.db2.gz YYODILDWWWVNHZ-YYCRHTIOSA-N 2 1 718.964 7.932 1 0 in-vivo KKAFMP Cc1ccc(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@@H]5[C@]5(C[C@H]8C=CCCCC[N@H+]8[C@H]56)C7)c4[nH]c32)cc1 ZINC000028970220 561985777 /nfs/dbraw/zinc/98/57/77/561985777.db2.gz YYODILDWWWVNHZ-YYCRHTIOSA-N 2 1 718.964 7.932 1 0 in-vivo KKAFMP CC[C@]1(c2cccc(O)c2)CCCC[NH+](CCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055906 561995060 /nfs/dbraw/zinc/99/50/60/561995060.db2.gz XNVOHDDYQCZZQX-CZFRINIUSA-N 2 1 506.775 7.236 1 0 in-vivo KKAFMP CC[C@]1(c2cccc(O)c2)CCCC[N@@H+](CCCCC[NH+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055906 561995062 /nfs/dbraw/zinc/99/50/62/561995062.db2.gz XNVOHDDYQCZZQX-CZFRINIUSA-N 2 1 506.775 7.236 1 0 in-vivo KKAFMP CC[C@]1(c2cccc(O)c2)CCCC[N@H+](CCCCC[NH+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055906 561995064 /nfs/dbraw/zinc/99/50/64/561995064.db2.gz XNVOHDDYQCZZQX-CZFRINIUSA-N 2 1 506.775 7.236 1 0 in-vivo KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389947 562017176 /nfs/dbraw/zinc/01/71/76/562017176.db2.gz CVMHORUIZZDBSL-GKQHHHCTSA-N 2 1 575.577 6.021 1 0 KKAFMP CC(C)N(C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544990 562029401 /nfs/dbraw/zinc/02/94/01/562029401.db2.gz ALUBWPKFZRKPBI-RNPORBBMSA-N 2 1 526.810 5.401 1 0 KKAFMP CC(C)N(C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544990 562029402 /nfs/dbraw/zinc/02/94/02/562029402.db2.gz ALUBWPKFZRKPBI-RNPORBBMSA-N 2 1 526.810 5.401 1 0 KKAFMP CC(C)N(C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544990 562029404 /nfs/dbraw/zinc/02/94/04/562029404.db2.gz ALUBWPKFZRKPBI-RNPORBBMSA-N 2 1 526.810 5.401 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546380 562030007 /nfs/dbraw/zinc/03/00/07/562030007.db2.gz KTCPZYZGBDYZCM-ROJLCIKYSA-N 2 1 546.800 5.514 1 0 KKAFMP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000036284698 562053364 /nfs/dbraw/zinc/05/33/64/562053364.db2.gz CXNCKVKDTNIURI-OUYGKKDFSA-N 2 1 634.240 5.311 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)C[N@@H+](C)C4 ZINC000038147452 562065631 /nfs/dbraw/zinc/06/56/31/562065631.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)C[NH+](C)C4 ZINC000038147452 562065633 /nfs/dbraw/zinc/06/56/33/562065633.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)C[NH+](C)C4 ZINC000038147452 562065635 /nfs/dbraw/zinc/06/56/35/562065635.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 2 1 608.735 6.859 1 0 KKAFMP CC(C)[NH2+]CCC[N@@H+](CCCC[NH+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000040763475 562079395 /nfs/dbraw/zinc/07/93/95/562079395.db2.gz MWIUPFDYMPWAGI-UHFFFAOYSA-N 4 1 524.797 6.814 1 0 KKAFMP CC(C)[NH2+]CCC[NH+](CCCC[N@H+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000040763475 562079397 /nfs/dbraw/zinc/07/93/97/562079397.db2.gz MWIUPFDYMPWAGI-UHFFFAOYSA-N 4 1 524.797 6.814 1 0 KKAFMP CC(C)[NH2+]CCC[NH+](CCCC[N@@H+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000040763475 562079400 /nfs/dbraw/zinc/07/94/00/562079400.db2.gz MWIUPFDYMPWAGI-UHFFFAOYSA-N 4 1 524.797 6.814 1 0 KKAFMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040952931 562086356 /nfs/dbraw/zinc/08/63/56/562086356.db2.gz JXXMYXNMLBKOAF-QABMSTFYSA-N 2 1 514.117 6.894 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000085772804 560066829 /nfs/dbraw/zinc/06/68/29/560066829.db2.gz VPIWCSVVIJIYRD-VSGBNLITSA-N 2 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)s3)nc2c1 ZINC000044358837 562655382 /nfs/dbraw/zinc/65/53/82/562655382.db2.gz SXGBSZNGVZKFCH-UHFFFAOYSA-N 2 1 588.785 7.267 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)s4)cc3)nc2c1 ZINC000044358837 562655383 /nfs/dbraw/zinc/65/53/83/562655383.db2.gz SXGBSZNGVZKFCH-UHFFFAOYSA-N 2 1 588.785 7.267 1 0 KKAFMP CC[N@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388006 562656251 /nfs/dbraw/zinc/65/62/51/562656251.db2.gz INUMVYWXFUFMTG-UHFFFAOYSA-N 2 1 540.133 5.210 1 0 KKAFMP CC[N@@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388006 562656252 /nfs/dbraw/zinc/65/62/52/562656252.db2.gz INUMVYWXFUFMTG-UHFFFAOYSA-N 2 1 540.133 5.210 1 0 KKAFMP CC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388337 562656323 /nfs/dbraw/zinc/65/63/23/562656323.db2.gz RNXDTZUOYPAGOH-UHFFFAOYSA-N 2 1 554.160 5.600 1 0 KKAFMP CC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388337 562656324 /nfs/dbraw/zinc/65/63/24/562656324.db2.gz RNXDTZUOYPAGOH-UHFFFAOYSA-N 2 1 554.160 5.600 1 0 KKAFMP O=C1N(CCC[NH+]2CCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044405141 562656608 /nfs/dbraw/zinc/65/66/08/562656608.db2.gz ZQXJEKRACRYDRN-UHFFFAOYSA-N 2 1 577.600 6.710 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193371 562658673 /nfs/dbraw/zinc/65/86/73/562658673.db2.gz RCOGEQWOFOMWGG-SSEXGKCCSA-N 2 1 517.739 6.037 1 0 KKAFMP Fc1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)s3)[nH]c2c1 ZINC000045201268 562659009 /nfs/dbraw/zinc/65/90/09/562659009.db2.gz IXVZYFRNCLVCHM-UHFFFAOYSA-N 2 1 502.703 7.186 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)CCC3CCCC3)cc2)c1 ZINC000045203019 562659214 /nfs/dbraw/zinc/65/92/14/562659214.db2.gz CLDVWUUTHUHESI-UHFFFAOYSA-N 2 1 532.817 6.036 1 0 KKAFMP CCNc1nc(NCc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)c2ccc(C)cc2[nH+]1 ZINC000045245712 562659756 /nfs/dbraw/zinc/65/97/56/562659756.db2.gz SKBSBBCMYNRFHX-UHFFFAOYSA-N 2 1 508.670 5.833 1 0 KKAFMP CC[NH+]1CCN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000045357557 562661935 /nfs/dbraw/zinc/66/19/35/562661935.db2.gz HQASOTKPUNGNKH-UHFFFAOYSA-N 2 1 504.719 5.979 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)NCCc2ccccc2)CC1 ZINC000049605223 562665493 /nfs/dbraw/zinc/66/54/93/562665493.db2.gz LBEHFDNFSHZKNM-UHFFFAOYSA-N 2 1 633.837 5.764 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049615798 562666721 /nfs/dbraw/zinc/66/67/21/562666721.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 2 1 686.827 6.492 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049615798 562666722 /nfs/dbraw/zinc/66/67/22/562666722.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 2 1 686.827 6.492 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049615798 562666723 /nfs/dbraw/zinc/66/67/23/562666723.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 2 1 686.827 6.492 1 0 KKAFMP COc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049710347 562671659 /nfs/dbraw/zinc/67/16/59/562671659.db2.gz FNRVMLFYIIGIFD-MZEFUWLPSA-N 2 1 578.801 6.864 1 0 KKAFMP COc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049710347 562671660 /nfs/dbraw/zinc/67/16/60/562671660.db2.gz FNRVMLFYIIGIFD-MZEFUWLPSA-N 2 1 578.801 6.864 1 0 KKAFMP COc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049710347 562671661 /nfs/dbraw/zinc/67/16/61/562671661.db2.gz FNRVMLFYIIGIFD-MZEFUWLPSA-N 2 1 578.801 6.864 1 0 KKAFMP CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049711066 562671905 /nfs/dbraw/zinc/67/19/05/562671905.db2.gz SNNODSZWAZYCAO-HOSLSIPZSA-N 2 1 604.883 7.985 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3cccc(C[NH2+]C4CCCC4)c3)c2)C(=O)/C=C/c2ccccc2)CC1 ZINC000049745081 562673636 /nfs/dbraw/zinc/67/36/36/562673636.db2.gz VFAFFJBOGKUMJP-VHEBQXMUSA-N 2 1 550.791 6.065 1 0 KKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000049757241 562675754 /nfs/dbraw/zinc/67/57/54/562675754.db2.gz VXJOOTNFWSEXEQ-MAZIBIHTSA-N 4 1 560.830 6.728 1 0 KKAFMP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000049757241 562675755 /nfs/dbraw/zinc/67/57/55/562675755.db2.gz VXJOOTNFWSEXEQ-MAZIBIHTSA-N 4 1 560.830 6.728 1 0 KKAFMP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000049757241 562675756 /nfs/dbraw/zinc/67/57/56/562675756.db2.gz VXJOOTNFWSEXEQ-MAZIBIHTSA-N 4 1 560.830 6.728 1 0 KKAFMP CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049757254 562675797 /nfs/dbraw/zinc/67/57/97/562675797.db2.gz HPLZUCRTJYQHAL-MOEOKTRKSA-N 2 1 576.829 7.349 1 0 KKAFMP CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049757254 562675798 /nfs/dbraw/zinc/67/57/98/562675798.db2.gz HPLZUCRTJYQHAL-MOEOKTRKSA-N 2 1 576.829 7.349 1 0 KKAFMP CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049757254 562675799 /nfs/dbraw/zinc/67/57/99/562675799.db2.gz HPLZUCRTJYQHAL-MOEOKTRKSA-N 2 1 576.829 7.349 1 0 KKAFMP COc1cc(C(=O)N2COC[C@@](CCC[NH+]3CCC([NH+]4CCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049777555 562680261 /nfs/dbraw/zinc/68/02/61/562680261.db2.gz WJWKWKOYTXMYKM-YTTGMZPUSA-N 2 1 620.618 5.728 1 0 KKAFMP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780086 562681358 /nfs/dbraw/zinc/68/13/58/562681358.db2.gz RMUPNRJFGFALOJ-ZWZQZIPJSA-N 3 1 685.846 7.200 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@](C[NH2+]CC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780643 562682017 /nfs/dbraw/zinc/68/20/17/562682017.db2.gz PMHUNWICIAERSX-PSXMRANNSA-N 3 1 595.869 6.246 1 0 KKAFMP COc1ccc(CC[N@H+](C)CCC[C@](CNCC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780643 562682018 /nfs/dbraw/zinc/68/20/18/562682018.db2.gz PMHUNWICIAERSX-PSXMRANNSA-N 2 1 595.869 6.246 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@](CNCC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780643 562682019 /nfs/dbraw/zinc/68/20/19/562682019.db2.gz PMHUNWICIAERSX-PSXMRANNSA-N 2 1 595.869 6.246 1 0 KKAFMP CC[N@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780916 562682495 /nfs/dbraw/zinc/68/24/95/562682495.db2.gz BNQVFVPZXLTYLM-SANMLTNESA-N 2 1 656.819 5.297 1 0 KKAFMP C[N@@H+](CCSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F)Cc1ccccc1 ZINC000049793918 562685293 /nfs/dbraw/zinc/68/52/93/562685293.db2.gz GNHDIZUBXGETER-UHFFFAOYSA-N 2 1 732.939 5.588 1 0 KKAFMP O=C(C[NH+]1CCCC1)Nc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccc(NC(=O)C[NH+]5CCCC5)c4)cc3)cc2)c1 ZINC000049889267 562691926 /nfs/dbraw/zinc/69/19/26/562691926.db2.gz NUBIJYMSASCUHP-UHFFFAOYSA-N 2 1 702.816 5.904 1 0 KKAFMP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[NH+](C/C=C/c6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049918070 562694398 /nfs/dbraw/zinc/69/43/98/562694398.db2.gz GLSJDNLNRJJOHX-WIZGORBTSA-N 2 1 631.840 6.047 1 0 KKAFMP CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058506527 562698358 /nfs/dbraw/zinc/69/83/58/562698358.db2.gz SPJRZFQSMUVKQV-ZQWQDMLBSA-N 3 1 633.929 6.113 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000058553391 562699235 /nfs/dbraw/zinc/69/92/35/562699235.db2.gz JUIDNHMRFHXGSO-SOYKYGLFSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000058553391 562699236 /nfs/dbraw/zinc/69/92/36/562699236.db2.gz JUIDNHMRFHXGSO-SOYKYGLFSA-N 2 1 624.914 7.057 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000058553391 562699237 /nfs/dbraw/zinc/69/92/37/562699237.db2.gz JUIDNHMRFHXGSO-SOYKYGLFSA-N 2 1 624.914 7.057 1 0 KKAFMP CCC[NH+](CCC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064348865 562704765 /nfs/dbraw/zinc/70/47/65/562704765.db2.gz WPFJNBQSGBXUAA-FLBADVGZSA-N 2 1 560.818 5.994 1 0 KKAFMP CCCCn1c2ccccc2c2cc(C[NH2+]CCC[NH+](C)C)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447002 562705298 /nfs/dbraw/zinc/70/52/98/562705298.db2.gz DGDXUWKEPHJBBJ-UHFFFAOYSA-N 2 1 504.675 5.724 1 0 KKAFMP COCCC[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064549021 562707976 /nfs/dbraw/zinc/70/79/76/562707976.db2.gz JCKPXXCMARLTQI-UHFFFAOYSA-N 2 1 616.170 5.752 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCN(CCC[NH+]2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077231 562710296 /nfs/dbraw/zinc/71/02/96/562710296.db2.gz JRVSGBSKZMZOOC-XIFFEERXSA-N 2 1 646.898 5.470 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCN(CCC[NH+]2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077231 562710297 /nfs/dbraw/zinc/71/02/97/562710297.db2.gz JRVSGBSKZMZOOC-XIFFEERXSA-N 2 1 646.898 5.470 1 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066111873 562711905 /nfs/dbraw/zinc/71/19/05/562711905.db2.gz DYYNTQLJPFNDIM-MKUCVZMMSA-N 3 1 606.731 6.181 3 0 KKAFMP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066113117 562712166 /nfs/dbraw/zinc/71/21/66/562712166.db2.gz FWEGLSILLSAIEM-BENTYHEHSA-N 3 1 612.694 5.597 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071318852 562718586 /nfs/dbraw/zinc/71/85/86/562718586.db2.gz QYAXGGUCDQSHIT-JGCGQSQUSA-N 2 1 613.246 7.513 1 0 KKAFMP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH+](C)CCC[N@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719535 /nfs/dbraw/zinc/71/95/35/562719535.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 2 1 578.835 5.167 1 0 KKAFMP C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@@H+](C)CCC[NH+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719536 /nfs/dbraw/zinc/71/95/36/562719536.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 2 1 578.835 5.167 1 0 KKAFMP C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@H+](C)CCC[NH+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719537 /nfs/dbraw/zinc/71/95/37/562719537.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 2 1 578.835 5.167 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000073369118 562738362 /nfs/dbraw/zinc/73/83/62/562738362.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3 ZINC000073369118 562738363 /nfs/dbraw/zinc/73/83/63/562738363.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 2 1 606.719 6.874 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3 ZINC000073369118 562738364 /nfs/dbraw/zinc/73/83/64/562738364.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 2 1 606.719 6.874 1 0 KKAFMP CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671290 562748487 /nfs/dbraw/zinc/74/84/87/562748487.db2.gz SZDPJIDXSCBQEQ-MHZLTWQESA-N 2 1 590.843 9.069 1 0 KKAFMP CC(C)(C)c1cc(C[N@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084671290 562748488 /nfs/dbraw/zinc/74/84/88/562748488.db2.gz SZDPJIDXSCBQEQ-MHZLTWQESA-N 2 1 590.843 9.069 1 0 KKAFMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758695 562752739 /nfs/dbraw/zinc/75/27/39/562752739.db2.gz YHGLBPUDIFJMHI-XMMPIXPASA-N 2 1 552.706 6.795 1 0 KKAFMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758695 562752740 /nfs/dbraw/zinc/75/27/40/562752740.db2.gz YHGLBPUDIFJMHI-XMMPIXPASA-N 2 1 552.706 6.795 1 0 KKAFMP C[NH+](CCNC(=O)CCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536808 562754160 /nfs/dbraw/zinc/75/41/60/562754160.db2.gz LCYYYKXWTFZHIV-UHFFFAOYSA-N 2 1 791.740 5.692 1 0 KKAFMP COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4Cc5nc6ccccc6nc5C[C@@]34CC[N@H+]2C)c2c(c1O)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1Cc1nc2ccccc2nc1C3 ZINC000095548712 562759380 /nfs/dbraw/zinc/75/93/80/562759380.db2.gz NPWHMSGUGLSZEV-FBKDISQOSA-N 2 1 772.950 6.494 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095573990 562769849 /nfs/dbraw/zinc/76/98/49/562769849.db2.gz LUJPPSLEDAYBGR-AIMWIADMSA-N 2 1 534.785 6.120 1 0 KKAFMP C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095599783 562778311 /nfs/dbraw/zinc/77/83/11/562778311.db2.gz JBTWBXKZNZMQHX-REYAJUCUSA-N 2 1 602.776 5.111 1 0 KKAFMP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095606914 562782527 /nfs/dbraw/zinc/78/25/27/562782527.db2.gz IZCZXQSGSYYKSO-GOFGAPPUSA-N 3 1 761.944 8.423 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095606941 562782533 /nfs/dbraw/zinc/78/25/33/562782533.db2.gz CISZZHPGYPWFDW-UWLBBLPVSA-N 3 1 769.923 8.406 1 0 KKAFMP Oc1ccc2c3c1O[C@H]1C4=C(C[C@@]5(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]315)C(c1ccccc1)C1=C(O4)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]42[C@@]3(O)C1 ZINC000096178788 562792731 /nfs/dbraw/zinc/79/27/31/562792731.db2.gz AKPAHSIBCCFBBS-BHVVMNDNSA-N 2 1 752.908 5.468 1 0 KKAFMP Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000096272788 562794290 /nfs/dbraw/zinc/79/42/90/562794290.db2.gz GHIBWMIFAQHEOV-UHFFFAOYSA-N 2 1 655.309 7.169 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)C(CCCCC)C1C(=O)OCC[NH+](C)Cc1ccccc1 ZINC000100033938 562806241 /nfs/dbraw/zinc/80/62/41/562806241.db2.gz ZRTPUCOSWVPGMB-LBCAVENHSA-N 3 1 561.767 6.525 1 0 KKAFMP 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 562806625 /nfs/dbraw/zinc/80/66/25/562806625.db2.gz VTHUVDPWVIEZKJ-PKQPGRETSA-N 2 1 526.729 5.785 1 0 KKAFMP Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CC[NH+](C)C2 ZINC000100076164 562806626 /nfs/dbraw/zinc/80/66/26/562806626.db2.gz VTHUVDPWVIEZKJ-PKQPGRETSA-N 2 1 526.729 5.785 1 0 KKAFMP Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CC[NH+](C)C2 ZINC000100076164 562806627 /nfs/dbraw/zinc/80/66/27/562806627.db2.gz VTHUVDPWVIEZKJ-PKQPGRETSA-N 2 1 526.729 5.785 1 0 KKAFMP C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc21 ZINC000103245929 562819808 /nfs/dbraw/zinc/81/98/08/562819808.db2.gz AJDGDNYRKCASLC-PMERELPUSA-N 2 1 542.526 6.570 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000103287602 562823904 /nfs/dbraw/zinc/82/39/04/562823904.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[N@H+](C)CC2 ZINC000103287602 562823905 /nfs/dbraw/zinc/82/39/05/562823905.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2 ZINC000103287602 562823906 /nfs/dbraw/zinc/82/39/06/562823906.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 KKAFMP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1=O ZINC000140620983 562833240 /nfs/dbraw/zinc/83/32/40/562833240.db2.gz NMUZOIPKNBIZNE-WNJJXGMVSA-N 2 1 506.779 5.847 1 0 KKAFMP C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCCCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140667693 562833253 /nfs/dbraw/zinc/83/32/53/562833253.db2.gz IKHPFDZTDRAHRJ-IGKIAQTJSA-N 2 1 560.749 6.558 1 0 KKAFMP CN(C)[C@H]1CCC[N@@H+](CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146442444 562838592 /nfs/dbraw/zinc/83/85/92/562838592.db2.gz UULIHMCCZFOKID-SANMLTNESA-N 2 1 547.817 5.108 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@@H](CCCCC)C1C(=O)OCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351785 562843270 /nfs/dbraw/zinc/84/32/70/562843270.db2.gz SFDIEKIMWTVOJP-WRLFFHEQSA-N 2 1 706.972 8.367 1 0 KKAFMP CCCCNC(=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 ZINC000150552313 562844615 /nfs/dbraw/zinc/84/46/15/562844615.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 2 1 653.862 7.872 1 0 KKAFMP CCCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552313 562844616 /nfs/dbraw/zinc/84/46/16/562844616.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 3 1 653.862 7.872 1 0 KKAFMP CCCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552313 562844617 /nfs/dbraw/zinc/84/46/17/562844617.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 3 1 653.862 7.872 1 0 KKAFMP CCCCNC(=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 ZINC000150552316 562844627 /nfs/dbraw/zinc/84/46/27/562844627.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 2 1 653.862 7.872 1 0 KKAFMP CCCCNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552316 562844628 /nfs/dbraw/zinc/84/46/28/562844628.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 3 1 653.862 7.872 1 0 KKAFMP CCCCNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552316 562844629 /nfs/dbraw/zinc/84/46/29/562844629.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 3 1 653.862 7.872 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(I)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294825 562852273 /nfs/dbraw/zinc/85/22/73/562852273.db2.gz AUXTVTYUZQXECF-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(I)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294825 562852274 /nfs/dbraw/zinc/85/22/74/562852274.db2.gz AUXTVTYUZQXECF-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(I)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294825 562852275 /nfs/dbraw/zinc/85/22/75/562852275.db2.gz AUXTVTYUZQXECF-AGJHSZMPSA-N 2 1 918.870 5.401 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(Br)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294829 562852324 /nfs/dbraw/zinc/85/23/24/562852324.db2.gz VZHMBDSSJSOBQJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(Br)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294829 562852325 /nfs/dbraw/zinc/85/23/25/562852325.db2.gz VZHMBDSSJSOBQJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(Br)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294829 562852326 /nfs/dbraw/zinc/85/23/26/562852326.db2.gz VZHMBDSSJSOBQJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP 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 562857854 /nfs/dbraw/zinc/85/78/54/562857854.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 2 1 580.773 5.387 1 0 KKAFMP 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]5[NH+]2CC[C@@H]1O3 ZINC000169326891 562857855 /nfs/dbraw/zinc/85/78/55/562857855.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 2 1 580.773 5.387 1 0 KKAFMP 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]5[NH+]2CC[C@@H]1O3 ZINC000169326891 562857856 /nfs/dbraw/zinc/85/78/56/562857856.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 2 1 580.773 5.387 1 0 KKAFMP O[C@@H]1CC[C@@]23C[C@]45C[NH+]6CC[C@H]4C(c4nccc7c8ccccc8[nH]c74)=C[C@@](O)(CC/C=C\CCCC6)[C@@H]5[N@@H+]2CC[C@@H]1O3 ZINC000169326891 562857857 /nfs/dbraw/zinc/85/78/57/562857857.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 2 1 580.773 5.387 1 0 KKAFMP O[C@@H]1CC[C@@]23C[C@]45C[NH+]6CC[C@H]4C(c4nccc7c8ccccc8[nH]c74)=C[C@@](O)(CC/C=C\CCCC6)[C@@H]5[N@H+]2CC[C@@H]1O3 ZINC000169326891 562857858 /nfs/dbraw/zinc/85/78/58/562857858.db2.gz BKEROKGINJVXMS-WKFOMSDBSA-N 2 1 580.773 5.387 1 0 KKAFMP CC[C@@H]1C[N@@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc4[nH]c5c(c4cc3OC)CC[NH+]3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169361197 562864190 /nfs/dbraw/zinc/86/41/90/562864190.db2.gz YBBXESOBDXAWTH-AATMDUHTSA-N 2 1 706.928 6.569 1 0 KKAFMP CC[C@@H]1C[NH+](C)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc4[nH]c5c(c4cc3OC)CC[N@@H+]3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169361197 562864191 /nfs/dbraw/zinc/86/41/91/562864191.db2.gz YBBXESOBDXAWTH-AATMDUHTSA-N 2 1 706.928 6.569 1 0 KKAFMP CC[C@@H]1C[NH+](C)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc4[nH]c5c(c4cc3OC)CC[N@H+]3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169361197 562864192 /nfs/dbraw/zinc/86/41/92/562864192.db2.gz YBBXESOBDXAWTH-AATMDUHTSA-N 2 1 706.928 6.569 1 0 KKAFMP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[NH+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362790 562864278 /nfs/dbraw/zinc/86/42/78/562864278.db2.gz AHKFGBZDFCALED-MAVBRTSASA-N 2 1 612.818 5.751 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[N@@H+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362790 562864279 /nfs/dbraw/zinc/86/42/79/562864279.db2.gz AHKFGBZDFCALED-MAVBRTSASA-N 2 1 612.818 5.751 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[N@H+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362790 562864280 /nfs/dbraw/zinc/86/42/80/562864280.db2.gz AHKFGBZDFCALED-MAVBRTSASA-N 2 1 612.818 5.751 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCN([C@@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1O ZINC000203987094 562874280 /nfs/dbraw/zinc/87/42/80/562874280.db2.gz GLQMCKGYHGHBCP-OAQYLSRUSA-N 2 1 521.061 5.100 1 0 KKAFMP Cc1cc(Nc2[nH]c3ccccc3[nH+]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCC[NH2+]C2)n1 ZINC000299840113 562888442 /nfs/dbraw/zinc/88/84/42/562888442.db2.gz UMVDHPFXGXTJAT-NRFANRHFSA-N 2 1 542.647 6.576 1 0 KKAFMP O=c1ccc2ccc(OCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299860242 562892927 /nfs/dbraw/zinc/89/29/27/562892927.db2.gz IWYTZZGVDJBXMG-UHFFFAOYSA-N 2 1 540.708 5.499 1 0 KKAFMP CC[NH+](CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864119 562894020 /nfs/dbraw/zinc/89/40/20/562894020.db2.gz LZNTUKFMGLSYSB-SVBGJNGRSA-N 2 1 559.710 6.182 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864791 562894170 /nfs/dbraw/zinc/89/41/70/562894170.db2.gz MVEOKWWWGIPPQA-AXMAENODSA-N 2 1 545.683 5.792 1 0 KKAFMP CCn1ccc(=[NH+]c2ccc(C(=O)Nc3ccc(N=C4C=C[N@@H+](CC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377848922 562896445 /nfs/dbraw/zinc/89/64/45/562896445.db2.gz IQHMCQCNAIQBLQ-UHFFFAOYSA-N 2 1 502.622 5.782 1 0 KKAFMP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4ccnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089917 562897485 /nfs/dbraw/zinc/89/74/85/562897485.db2.gz MVRJDNOPXYKDMF-UHFFFAOYSA-N 2 1 631.173 7.343 1 0 KKAFMP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4ccnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089917 562897486 /nfs/dbraw/zinc/89/74/86/562897486.db2.gz MVRJDNOPXYKDMF-UHFFFAOYSA-N 2 1 631.173 7.343 1 0 KKAFMP COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(C[NH2+][C@@H](C)c4ccccc4)cc32)cc1 ZINC000653795333 562913021 /nfs/dbraw/zinc/91/30/21/562913021.db2.gz FIWGCKWZHPCZCZ-SANMLTNESA-N 2 1 578.782 6.569 1 0 KKAFMP COc1cc([C@H]2[C@@H](C(=O)O[C@@H]3C[C@@H]4[C@@H](C[NH+](C)C[C@H]4C)[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)O[C@@H]2C[C@@H]3[C@@H](C[N@@H+](C)C[C@H]3C)[C@@H]2C)ccc1O ZINC000653837704 562914749 /nfs/dbraw/zinc/91/47/49/562914749.db2.gz VQKTZIKAARDZIA-IOLRLOILSA-N 2 1 718.932 5.759 1 0 KKAFMP COc1cc([C@@H]2[C@@H](C(=O)O[C@@H]3C[C@@H]4[C@@H](C[NH+](C)C[C@H]4C)[C@@H]3C)[C@@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)O[C@@H]2C[C@@H]3[C@@H](C[N@H+](C)C[C@H]3C)[C@@H]2C)ccc1O ZINC000653837704 562914750 /nfs/dbraw/zinc/91/47/50/562914750.db2.gz VQKTZIKAARDZIA-IOLRLOILSA-N 2 1 718.932 5.759 1 0 KKAFMP COc1cc([C@@H]2[C@@H](C(=O)O[C@@H]3C[C@@H]4[C@@H](C[NH+](C)C[C@H]4C)[C@@H]3C)[C@@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)O[C@@H]2C[C@@H]3[C@@H](C[N@@H+](C)C[C@H]3C)[C@@H]2C)ccc1O ZINC000653837704 562914751 /nfs/dbraw/zinc/91/47/51/562914751.db2.gz VQKTZIKAARDZIA-IOLRLOILSA-N 2 1 718.932 5.759 1 0 KKAFMP COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@H]4CCC[N@H+]4C)c(F)c3)c2cc1OC ZINC000653864041 562916119 /nfs/dbraw/zinc/91/61/19/562916119.db2.gz KPUCSRWYMCPNNM-RBBKRZOGSA-N 2 1 592.115 6.650 1 0 KKAFMP COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OC[C@H]4CCC[N@H+]4C)c(F)c3)c2cc1OC ZINC000653864039 562916131 /nfs/dbraw/zinc/91/61/31/562916131.db2.gz KPUCSRWYMCPNNM-IFMALSPDSA-N 2 1 592.115 6.650 1 0 KKAFMP O=C(NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916431 /nfs/dbraw/zinc/91/64/31/562916431.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 2 1 509.588 5.129 1 0 KKAFMP O=C(NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916432 /nfs/dbraw/zinc/91/64/32/562916432.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 2 1 509.588 5.129 1 0 KKAFMP O=C(NCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916433 /nfs/dbraw/zinc/91/64/33/562916433.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 2 1 509.588 5.129 1 0 KKAFMP COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@H+](C)CC3 ZINC000085540988 565139054 /nfs/dbraw/zinc/13/90/54/565139054.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 2 1 638.761 6.868 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH+](C)CC3 ZINC000085540988 565139059 /nfs/dbraw/zinc/13/90/59/565139059.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 2 1 638.761 6.868 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH+](C)CC3 ZINC000085540988 565139062 /nfs/dbraw/zinc/13/90/62/565139062.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 2 1 638.761 6.868 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1C(=[N+](C)CC3)C2 ZINC000085541200 565139090 /nfs/dbraw/zinc/13/90/90/565139090.db2.gz CJCMFVKPNHUORP-MUUNZHRXSA-O 2 1 607.727 6.318 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000095919025 565189164 /nfs/dbraw/zinc/18/91/64/565189164.db2.gz KHNITWQNJMUVRC-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000095919025 565189168 /nfs/dbraw/zinc/18/91/68/565189168.db2.gz KHNITWQNJMUVRC-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000095919025 565189174 /nfs/dbraw/zinc/18/91/74/565189174.db2.gz KHNITWQNJMUVRC-KYJUHHDHSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000103570203 565196994 /nfs/dbraw/zinc/19/69/94/565196994.db2.gz KHNITWQNJMUVRC-XZWHSSHBSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000103570203 565196997 /nfs/dbraw/zinc/19/69/97/565196997.db2.gz KHNITWQNJMUVRC-XZWHSSHBSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000103570203 565197001 /nfs/dbraw/zinc/19/70/01/565197001.db2.gz KHNITWQNJMUVRC-XZWHSSHBSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)[nH+]c5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568374 291951982 /nfs/dbraw/zinc/95/19/82/291951982.db2.gz HZRSSRAVGSSYTB-OVTDWZCSSA-N 2 1 665.787 5.966 1 0 biogenic,in-vitro KKAFMP CC(C)C[NH+](CCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1)C(=O)N[C@@H](C)c1cccc2ccccc21)CC(C)C ZINC000003915833 561684884 /nfs/dbraw/zinc/68/48/84/561684884.db2.gz HONDONWIFJXYKS-GVYVVWIYSA-N 2 1 610.847 6.223 1 0 KKAFMP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCC[N@H+]5C)c4)[nH+]c3c2)ccn1 ZINC000006716045 561702946 /nfs/dbraw/zinc/70/29/46/561702946.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 2 1 590.553 5.981 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccnc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191778 561737594 /nfs/dbraw/zinc/73/75/94/561737594.db2.gz RTIVWDSFWBAUKZ-JGCGQSQUSA-N 2 1 563.573 7.248 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccnc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191778 561737595 /nfs/dbraw/zinc/73/75/95/561737595.db2.gz RTIVWDSFWBAUKZ-JGCGQSQUSA-N 2 1 563.573 7.248 1 0 KKAFMP COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026571182 561798173 /nfs/dbraw/zinc/79/81/73/561798173.db2.gz RQCZULDYXOGDBE-LHEWISCISA-N 2 1 723.742 6.001 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CC[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674925 561813797 /nfs/dbraw/zinc/81/37/97/561813797.db2.gz OLDPWFNVRMMJAT-UHFFFAOYSA-N 2 1 564.130 5.975 1 0 KKAFMP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753095 561820108 /nfs/dbraw/zinc/82/01/08/561820108.db2.gz OPGSAPXNXKJRSG-XPSQVAKYSA-N 2 1 622.898 6.988 1 0 KKAFMP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027181860 561841872 /nfs/dbraw/zinc/84/18/72/561841872.db2.gz WLIMHZYQJNAZBO-UMSFTDKQSA-N 2 1 707.847 7.151 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420733 561857706 /nfs/dbraw/zinc/85/77/06/561857706.db2.gz XTJMLCAUNHFIRS-KTUFXOJYSA-N 2 1 653.868 5.777 1 0 KKAFMP Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CCC[N@@H+]1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3 ZINC000027564230 561871858 /nfs/dbraw/zinc/87/18/58/561871858.db2.gz PNJOCKWLEAAKCR-QTIGFWLISA-N 2 1 526.765 6.305 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+]Cc4ccnc5ccccc45)CC3)cc[nH+]c2c1 ZINC000027636639 561874582 /nfs/dbraw/zinc/87/45/82/561874582.db2.gz OTWVLBKQGYFBJS-UHFFFAOYSA-N 3 1 503.094 5.036 1 0 KKAFMP Clc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)Cc2ccc(Cl)cc2)cc1 ZINC000027641170 561875281 /nfs/dbraw/zinc/87/52/81/561875281.db2.gz YSWCWIQPMZZIQG-UHFFFAOYSA-N 3 1 611.061 7.707 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4ccnc5ccccc45)Cc4ccnc5ccccc45)CC3)cc[nH+]c2c1 ZINC000027643980 561875582 /nfs/dbraw/zinc/87/55/82/561875582.db2.gz MNENSRQYBWNZDD-UHFFFAOYSA-N 3 1 644.267 7.497 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](CC4CCCCC4)CC4CCCCC4)CC3)cc[nH+]c2c1 ZINC000027645538 561875837 /nfs/dbraw/zinc/87/58/37/561875837.db2.gz FBDDPYOHKWRBDJ-UHFFFAOYSA-N 3 1 554.267 7.161 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711299 561879811 /nfs/dbraw/zinc/87/98/11/561879811.db2.gz QJEHMTISNSKIMA-XADUZJDNSA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCC[N@@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711299 561879812 /nfs/dbraw/zinc/87/98/12/561879812.db2.gz QJEHMTISNSKIMA-XADUZJDNSA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCC[N@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711299 561879813 /nfs/dbraw/zinc/87/98/13/561879813.db2.gz QJEHMTISNSKIMA-XADUZJDNSA-N 2 1 642.837 5.669 1 0 in-vivo KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000028116613 561903831 /nfs/dbraw/zinc/90/38/31/561903831.db2.gz TXRMMMQHBVOSRA-NRFANRHFSA-N 2 1 537.963 6.893 1 0 KKAFMP CC1CC[NH+]([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028571050 561939160 /nfs/dbraw/zinc/93/91/60/561939160.db2.gz FLJLGJKLCGQKKZ-KAYWLYCHSA-N 2 1 506.090 6.101 1 0 KKAFMP COc1ccc2c(c1)C[N@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000028571204 561939200 /nfs/dbraw/zinc/93/92/00/561939200.db2.gz CZFWPLJKZPVFAU-OLQUXKRTSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1ccc2c(c1)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000028571204 561939203 /nfs/dbraw/zinc/93/92/03/561939203.db2.gz CZFWPLJKZPVFAU-OLQUXKRTSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1ccc2c(c1)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000028571204 561939205 /nfs/dbraw/zinc/93/92/05/561939205.db2.gz CZFWPLJKZPVFAU-OLQUXKRTSA-N 2 1 581.801 5.709 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645951 561944648 /nfs/dbraw/zinc/94/46/48/561944648.db2.gz AVLVOARPRGUPQW-DHUJRADRSA-N 2 1 545.762 7.086 1 0 KKAFMP Clc1cccc([C@H]([NH2+]CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028822343 561966901 /nfs/dbraw/zinc/96/69/01/561966901.db2.gz KQRIKZLDGZORML-DIPNUNPCSA-N 4 1 645.723 6.748 1 0 KKAFMP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2CC2CCCCC2)C1 ZINC000028864157 561972690 /nfs/dbraw/zinc/97/26/90/561972690.db2.gz LSHRYESREHPTKJ-UHFFFAOYSA-N 2 1 585.818 5.241 1 0 KKAFMP Cc1c2ccccc2sc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2CC2CCCCC2)C1 ZINC000028864157 561972692 /nfs/dbraw/zinc/97/26/92/561972692.db2.gz LSHRYESREHPTKJ-UHFFFAOYSA-N 2 1 585.818 5.241 1 0 KKAFMP Cc1c2ccccc2sc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2CC2CCCCC2)C1 ZINC000028864157 561972694 /nfs/dbraw/zinc/97/26/94/561972694.db2.gz LSHRYESREHPTKJ-UHFFFAOYSA-N 2 1 585.818 5.241 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864191 561972824 /nfs/dbraw/zinc/97/28/24/561972824.db2.gz QJMYPUOUIDONAU-HHHXNRCGSA-N 2 1 576.732 5.309 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@@H+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864191 561972825 /nfs/dbraw/zinc/97/28/25/561972825.db2.gz QJMYPUOUIDONAU-HHHXNRCGSA-N 2 1 576.732 5.309 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@H+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864191 561972826 /nfs/dbraw/zinc/97/28/26/561972826.db2.gz QJMYPUOUIDONAU-HHHXNRCGSA-N 2 1 576.732 5.309 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccsc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953733 561982479 /nfs/dbraw/zinc/98/24/79/561982479.db2.gz FHOMZFVESVZMEP-IZLXSDGUSA-N 2 1 543.221 5.462 1 0 KKAFMP COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(OCc6ccccc6)cc45)C3)[nH+]c2c1 ZINC000028951154 561981418 /nfs/dbraw/zinc/98/14/18/561981418.db2.gz VUBJBYTZSTWDPM-UIOOFZCWSA-N 2 1 520.677 6.745 1 0 KKAFMP COc1ccc(C[NH+](Cc2ccc(OC)cc2)CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954020 561982891 /nfs/dbraw/zinc/98/28/91/561982891.db2.gz IMMFFEVWPDDTMS-RGULYWFUSA-N 2 1 687.369 7.331 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(F)cc4F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954001 561982919 /nfs/dbraw/zinc/98/29/19/561982919.db2.gz FNUGGCDLZJDZDX-WDYNHAJCSA-N 2 1 573.172 5.679 1 0 KKAFMP COc1ccc(C[N@@H+](CC(C)C)CC2(N3CCN(C(=O)[C@H]4C[NH+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954018 561982928 /nfs/dbraw/zinc/98/29/28/561982928.db2.gz WTMUDPZCTIRNOU-GPOMZPHUSA-N 2 1 623.326 6.778 1 0 KKAFMP COc1ccc(C[NH+](CC(C)C)CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954018 561982930 /nfs/dbraw/zinc/98/29/30/561982930.db2.gz WTMUDPZCTIRNOU-GPOMZPHUSA-N 2 1 623.326 6.778 1 0 KKAFMP COc1ccc(C[NH+](CC(C)C)CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954018 561982932 /nfs/dbraw/zinc/98/29/32/561982932.db2.gz WTMUDPZCTIRNOU-GPOMZPHUSA-N 2 1 623.326 6.778 1 0 KKAFMP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c(F)c1 ZINC000028954006 561982947 /nfs/dbraw/zinc/98/29/47/561982947.db2.gz JTBSIVANORDZHN-IHLOFXLRSA-N 2 1 585.208 5.548 1 0 KKAFMP CC(C)C[C@H](NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960105 561983922 /nfs/dbraw/zinc/98/39/22/561983922.db2.gz FUIMTGKZSKSGAU-IARZGTGTSA-N 2 1 622.176 5.294 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(F)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953975 561982733 /nfs/dbraw/zinc/98/27/33/561982733.db2.gz OYWNSCSUSYGJRN-IHLOFXLRSA-N 2 1 555.182 5.540 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131368 562002999 /nfs/dbraw/zinc/00/29/99/562002999.db2.gz ZNDISASWORBMME-NGCAANIMSA-N 2 1 596.260 5.186 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029390331 562017132 /nfs/dbraw/zinc/01/71/32/562017132.db2.gz PQEPTRHVJCVMTO-XAZDILKDSA-N 2 1 587.636 5.557 1 0 KKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000029489728 562029221 /nfs/dbraw/zinc/02/92/21/562029221.db2.gz XTJHNJARPZHDSR-HEVIKAOCSA-N 4 1 520.850 7.176 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000029489728 562029225 /nfs/dbraw/zinc/02/92/25/562029225.db2.gz XTJHNJARPZHDSR-HEVIKAOCSA-N 3 1 520.850 7.176 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000029489728 562029226 /nfs/dbraw/zinc/02/92/26/562029226.db2.gz XTJHNJARPZHDSR-HEVIKAOCSA-N 3 1 520.850 7.176 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545229 562029590 /nfs/dbraw/zinc/02/95/90/562029590.db2.gz LHMXAZXVFTUCSN-ZRKBJOGQSA-N 2 1 674.974 7.073 1 0 KKAFMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545229 562029591 /nfs/dbraw/zinc/02/95/91/562029591.db2.gz LHMXAZXVFTUCSN-ZRKBJOGQSA-N 2 1 674.974 7.073 1 0 KKAFMP O=C([C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545229 562029592 /nfs/dbraw/zinc/02/95/92/562029592.db2.gz LHMXAZXVFTUCSN-ZRKBJOGQSA-N 2 1 674.974 7.073 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc4cccnc43)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351655 562058955 /nfs/dbraw/zinc/05/89/55/562058955.db2.gz WTHCAMVZYWWKJH-PSXMRANNSA-N 2 1 613.633 8.401 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc4cccnc43)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351655 562058956 /nfs/dbraw/zinc/05/89/56/562058956.db2.gz WTHCAMVZYWWKJH-PSXMRANNSA-N 2 1 613.633 8.401 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccccc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351690 562058994 /nfs/dbraw/zinc/05/89/94/562058994.db2.gz COYFWRQZIIDGFN-MGBGTMOVSA-N 2 1 562.585 7.853 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccccc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351690 562058995 /nfs/dbraw/zinc/05/89/95/562058995.db2.gz COYFWRQZIIDGFN-MGBGTMOVSA-N 2 1 562.585 7.853 1 0 KKAFMP CCCN(CCC)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000038433018 562071860 /nfs/dbraw/zinc/07/18/60/562071860.db2.gz LCBHQIDVXKUJSD-KYJUHHDHSA-N 2 1 526.810 5.408 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000042806014 562089419 /nfs/dbraw/zinc/08/94/19/562089419.db2.gz HPLGHJKHKJOKPI-PNGMXGABSA-N 2 1 606.811 6.781 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000042806014 562089420 /nfs/dbraw/zinc/08/94/20/562089420.db2.gz HPLGHJKHKJOKPI-PNGMXGABSA-N 2 1 606.811 6.781 1 0 KKAFMP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000042806014 562089421 /nfs/dbraw/zinc/08/94/21/562089421.db2.gz HPLGHJKHKJOKPI-PNGMXGABSA-N 2 1 606.811 6.781 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000070454673 560048092 /nfs/dbraw/zinc/04/80/92/560048092.db2.gz QRSIKBXDEMEDLL-NSOVKSMOSA-N 2 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000070454673 560048094 /nfs/dbraw/zinc/04/80/94/560048094.db2.gz QRSIKBXDEMEDLL-NSOVKSMOSA-N 2 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMP CC(C)C[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044360886 562655686 /nfs/dbraw/zinc/65/56/86/562655686.db2.gz IRBLDGMIGSNXLP-UHFFFAOYSA-N 2 1 565.589 6.469 1 0 KKAFMP CC[N@H+](CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416755 562656987 /nfs/dbraw/zinc/65/69/87/562656987.db2.gz UPQMKAIHADRBKX-QFIPXVFZSA-N 2 1 568.187 5.988 1 0 KKAFMP CC[N@@H+](CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416755 562656988 /nfs/dbraw/zinc/65/69/88/562656988.db2.gz UPQMKAIHADRBKX-QFIPXVFZSA-N 2 1 568.187 5.988 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)NC3CCCCC3)c2)c1 ZINC000045168744 562658163 /nfs/dbraw/zinc/65/81/63/562658163.db2.gz YECFHYZGACYZIB-UHFFFAOYSA-N 2 1 533.805 5.581 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000045245362 562659763 /nfs/dbraw/zinc/65/97/63/562659763.db2.gz YOTKDEFXCGRSLS-UHFFFAOYSA-N 2 1 500.691 5.600 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045259030 562659984 /nfs/dbraw/zinc/65/99/84/562659984.db2.gz CCWKJFUTAIMLPZ-UHFFFAOYSA-N 2 1 508.670 5.467 1 0 KKAFMP C[NH+]1CCC([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365032 562662037 /nfs/dbraw/zinc/66/20/37/562662037.db2.gz QUDJCWKOPXBSPH-JGCGQSQUSA-N 2 1 516.129 6.089 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]C4CCCC4)c3)cc2)C(=O)/C=C/c2ccccc2)CC1 ZINC000049626189 562667051 /nfs/dbraw/zinc/66/70/51/562667051.db2.gz SLXYNFMRMWKXRX-LVZFUZTISA-N 2 1 550.791 6.065 1 0 KKAFMP COc1ccc(C(=O)CCC(=O)N(CC[C@@H]2CCC[N@H+]2C)Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049626929 562667474 /nfs/dbraw/zinc/66/74/74/562667474.db2.gz LEHJSOOXHVVXMH-UMSFTDKQSA-N 2 1 714.904 6.108 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)c(C(F)(F)F)c4)cc3)nc2c1 ZINC000049678606 562668618 /nfs/dbraw/zinc/66/86/18/562668618.db2.gz LFPMSTBMFYYPRQ-UHFFFAOYSA-N 2 1 638.698 8.231 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3C(F)(F)F)nc2c1 ZINC000049678606 562668619 /nfs/dbraw/zinc/66/86/19/562668619.db2.gz LFPMSTBMFYYPRQ-UHFFFAOYSA-N 2 1 638.698 8.231 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N1CCCCCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049679295 562668854 /nfs/dbraw/zinc/66/88/54/562668854.db2.gz ALUJTNZFYZSCHV-UHFFFAOYSA-N 2 1 562.762 6.781 1 0 KKAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3ccccc3-c3cccc(C(F)(F)F)c3)[nH+]2)cc1 ZINC000049722559 562672176 /nfs/dbraw/zinc/67/21/76/562672176.db2.gz HTZSOATXZBDJMD-UHFFFAOYSA-N 2 1 593.654 5.208 1 0 KKAFMP Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049723312 562673227 /nfs/dbraw/zinc/67/32/27/562673227.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 2 1 568.725 6.946 1 0 KKAFMP Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049723312 562673228 /nfs/dbraw/zinc/67/32/28/562673228.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 2 1 568.725 6.946 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)cc2)C(=O)c2cccs2)CC1 ZINC000049757345 562675876 /nfs/dbraw/zinc/67/58/76/562675876.db2.gz MHCSZEZWWZGBJI-UHFFFAOYSA-N 2 1 566.815 6.027 1 0 KKAFMP CCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762083 562676285 /nfs/dbraw/zinc/67/62/85/562676285.db2.gz FOPQJACGJDMQLD-PFSZWSAMSA-N 2 1 661.935 8.375 1 0 KKAFMP CCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049762083 562676286 /nfs/dbraw/zinc/67/62/86/562676286.db2.gz FOPQJACGJDMQLD-PFSZWSAMSA-N 2 1 661.935 8.375 1 0 KKAFMP CCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049762083 562676287 /nfs/dbraw/zinc/67/62/87/562676287.db2.gz FOPQJACGJDMQLD-PFSZWSAMSA-N 2 1 661.935 8.375 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776342 562679386 /nfs/dbraw/zinc/67/93/86/562679386.db2.gz UMCNAJOTZHHMOT-MGBGTMOVSA-N 2 1 646.581 8.752 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776342 562679387 /nfs/dbraw/zinc/67/93/87/562679387.db2.gz UMCNAJOTZHHMOT-MGBGTMOVSA-N 2 1 646.581 8.752 1 0 KKAFMP CC[C@@]12CCC[N@@H+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCC[NH+]8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680090 /nfs/dbraw/zinc/68/00/90/562680090.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 2 1 576.829 7.520 1 0 KKAFMP CC[C@@]12CCC[N@H+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCC[NH+]8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680091 /nfs/dbraw/zinc/68/00/91/562680091.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 2 1 576.829 7.520 1 0 KKAFMP CC[C@@]12CCC[NH+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCC[N@@H+]8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680092 /nfs/dbraw/zinc/68/00/92/562680092.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 2 1 576.829 7.520 1 0 KKAFMP CC[C@@]12CCC[NH+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCC[N@H+]8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680093 /nfs/dbraw/zinc/68/00/93/562680093.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 2 1 576.829 7.520 1 0 KKAFMP Fc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777638 562680332 /nfs/dbraw/zinc/68/03/32/562680332.db2.gz ZSBIPLKZQFBMTM-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777638 562680333 /nfs/dbraw/zinc/68/03/33/562680333.db2.gz ZSBIPLKZQFBMTM-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777638 562680334 /nfs/dbraw/zinc/68/03/34/562680334.db2.gz ZSBIPLKZQFBMTM-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP CC(C)[C@@H](C[N@H+]1CCC[C@@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[NH+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780538 562681883 /nfs/dbraw/zinc/68/18/83/562681883.db2.gz KKVYINJCGJEOEP-ROZBJHDGSA-N 3 1 607.931 5.464 1 0 KKAFMP CC(C)[C@@H](C[NH+]1CCC[C@@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[N@H+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780538 562681884 /nfs/dbraw/zinc/68/18/84/562681884.db2.gz KKVYINJCGJEOEP-ROZBJHDGSA-N 3 1 607.931 5.464 1 0 KKAFMP CC(C)[C@@H](C[NH+]1CCC[C@@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[N@@H+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780538 562681885 /nfs/dbraw/zinc/68/18/85/562681885.db2.gz KKVYINJCGJEOEP-ROZBJHDGSA-N 3 1 607.931 5.464 1 0 KKAFMP Brc1cccc(CCC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802593 562685834 /nfs/dbraw/zinc/68/58/34/562685834.db2.gz ITVPHDKXOSLPJK-VPQGMAAXSA-N 3 1 748.898 7.203 1 0 KKAFMP Brc1cccc(CCC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802593 562685835 /nfs/dbraw/zinc/68/58/35/562685835.db2.gz ITVPHDKXOSLPJK-VPQGMAAXSA-N 3 1 748.898 7.203 1 0 KKAFMP Brc1cccc(CCC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802593 562685836 /nfs/dbraw/zinc/68/58/36/562685836.db2.gz ITVPHDKXOSLPJK-VPQGMAAXSA-N 3 1 748.898 7.203 1 0 KKAFMP CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049802962 562686007 /nfs/dbraw/zinc/68/60/07/562686007.db2.gz XBKHTHKBQDTZPE-ODGOSVICSA-N 3 1 619.902 5.723 1 0 KKAFMP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049832791 562687252 /nfs/dbraw/zinc/68/72/52/562687252.db2.gz UGXRNXXGEXPELZ-UHFFFAOYSA-N 2 1 679.877 5.602 1 0 KKAFMP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049832791 562687253 /nfs/dbraw/zinc/68/72/53/562687253.db2.gz UGXRNXXGEXPELZ-UHFFFAOYSA-N 2 1 679.877 5.602 1 0 KKAFMP C[NH+](C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049889524 562692157 /nfs/dbraw/zinc/69/21/57/562692157.db2.gz NAYBWUJUMHRBBW-UHFFFAOYSA-N 2 1 679.877 5.602 1 0 KKAFMP C[NH+](C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049889524 562692158 /nfs/dbraw/zinc/69/21/58/562692158.db2.gz NAYBWUJUMHRBBW-UHFFFAOYSA-N 2 1 679.877 5.602 1 0 KKAFMP CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2 ZINC000049899533 562693218 /nfs/dbraw/zinc/69/32/18/562693218.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 2 1 666.815 7.561 1 0 KKAFMP CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2 ZINC000049899533 562693219 /nfs/dbraw/zinc/69/32/19/562693219.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 2 1 666.815 7.561 1 0 KKAFMP CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2 ZINC000049899533 562693220 /nfs/dbraw/zinc/69/32/20/562693220.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 2 1 666.815 7.561 1 0 KKAFMP C[C@H](Cc1ccc(C[N@@H+](CC(N)=O)Cc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917813 562693942 /nfs/dbraw/zinc/69/39/42/562693942.db2.gz XFAQNBFQMXDPNG-ISILISOKSA-N 3 1 645.719 7.008 1 0 KKAFMP C[C@H](Cc1ccc(C[N@H+](CC(N)=O)Cc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917813 562693943 /nfs/dbraw/zinc/69/39/43/562693943.db2.gz XFAQNBFQMXDPNG-ISILISOKSA-N 3 1 645.719 7.008 1 0 KKAFMP c1ccc2cc(C[NH+](CCC[NH2+]CCCC[N@@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695096 /nfs/dbraw/zinc/69/50/96/562695096.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 3 1 705.990 11.764 1 0 KKAFMP c1ccc2cc(C[NH+](CCCC[NH2+]CCC[N@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695097 /nfs/dbraw/zinc/69/50/97/562695097.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 3 1 705.990 11.764 1 0 KKAFMP c1ccc2cc(C[NH+](CCCC[NH2+]CCC[N@@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695098 /nfs/dbraw/zinc/69/50/98/562695098.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 3 1 705.990 11.764 1 0 KKAFMP c1ccc2cc(CN(CCC[NH2+]CCCC[N@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695099 /nfs/dbraw/zinc/69/50/99/562695099.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 2 1 705.990 11.764 1 0 KKAFMP c1ccc2cc(CN(CCC[NH2+]CCCC[N@@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695100 /nfs/dbraw/zinc/69/51/00/562695100.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 2 1 705.990 11.764 1 0 KKAFMP Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@@H](N)Cc4ccc5ccccc5c4)c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049938394 562695300 /nfs/dbraw/zinc/69/53/00/562695300.db2.gz DLHHWZIWAALWRH-LJAQVGFWSA-N 2 1 693.899 5.537 1 0 KKAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@H]3CCN(C)C3)c(Cl)c2)C1 ZINC000052996247 562696090 /nfs/dbraw/zinc/69/60/90/562696090.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 2 1 583.198 5.173 1 0 KKAFMP CC[NH+](CC)c1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3c(C)cccc3Cl)ncn2)cc1 ZINC000053159854 562696323 /nfs/dbraw/zinc/69/63/23/562696323.db2.gz XIFDWULJBGHZEO-UHFFFAOYSA-N 2 1 510.086 6.018 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+] ZINC000058538245 562698818 /nfs/dbraw/zinc/69/88/18/562698818.db2.gz XSVALKFJZFDBQU-BSUMSBOOSA-N 3 1 659.967 6.647 1 0 KKAFMP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064499008 562706006 /nfs/dbraw/zinc/70/60/06/562706006.db2.gz RTNHZZUGWDBHSN-UHFFFAOYSA-N 2 1 507.028 6.376 1 0 KKAFMP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCN(CCC[NH+]2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077234 562710283 /nfs/dbraw/zinc/71/02/83/562710283.db2.gz JRVSGBSKZMZOOC-MGBGTMOVSA-N 2 1 646.898 5.470 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCN(CCC[NH+]2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077234 562710284 /nfs/dbraw/zinc/71/02/84/562710284.db2.gz JRVSGBSKZMZOOC-MGBGTMOVSA-N 2 1 646.898 5.470 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112394 562712033 /nfs/dbraw/zinc/71/20/33/562712033.db2.gz LKMTURFCSVFFPV-DHUJRADRSA-N 2 1 634.869 6.433 1 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@H+]1CCCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000072131710 562726765 /nfs/dbraw/zinc/72/67/65/562726765.db2.gz GQWSXILTLUTBAJ-PGUFJCEWSA-N 2 1 655.327 8.163 1 0 KKAFMP CCc1[nH+]c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072138597 562728850 /nfs/dbraw/zinc/72/88/50/562728850.db2.gz JYQVCKVAVFLGCT-UHFFFAOYSA-N 2 1 574.567 6.080 3 0 KKAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(-c3cccc(C[NH2+]Cc4ccccc4)c3)c1)ccc2O ZINC000082155691 562740604 /nfs/dbraw/zinc/74/06/04/562740604.db2.gz HXHAEKRMZXMRER-NDEPHWFRSA-N 2 1 525.674 5.118 1 0 KKAFMP C[N@@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCC[NH+]2CCOCC2)c1 ZINC000084654380 562747253 /nfs/dbraw/zinc/74/72/53/562747253.db2.gz SBQAIYUBGADZLI-UHFFFAOYSA-N 2 1 565.711 5.065 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000084669643 562748037 /nfs/dbraw/zinc/74/80/37/562748037.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 2 1 594.708 6.556 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000084669643 562748038 /nfs/dbraw/zinc/74/80/38/562748038.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 2 1 594.708 6.556 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000084669643 562748039 /nfs/dbraw/zinc/74/80/39/562748039.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 2 1 594.708 6.556 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCNc4cc[nH+]c5cc(Cl)ccc45)cc3)s2)cc1 ZINC000084670781 562748371 /nfs/dbraw/zinc/74/83/71/562748371.db2.gz TYVDEZVTBOTKKY-UHFFFAOYSA-N 3 1 703.743 9.889 1 0 KKAFMP COc1c(C(C)(C)C)cc(C[N@@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671292 562748530 /nfs/dbraw/zinc/74/85/30/562748530.db2.gz WYNCUEJLIAVRPR-MUUNZHRXSA-N 2 1 604.870 9.372 1 0 KKAFMP COc1c(C(C)(C)C)cc(C[N@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084671292 562748531 /nfs/dbraw/zinc/74/85/31/562748531.db2.gz WYNCUEJLIAVRPR-MUUNZHRXSA-N 2 1 604.870 9.372 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCCCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCCCNc4cc[nH+]c5cc(Cl)ccc45)cc3)s2)cc1 ZINC000095551673 562760393 /nfs/dbraw/zinc/76/03/93/562760393.db2.gz AQGPGQQOQJXOHE-UHFFFAOYSA-N 3 1 787.905 12.229 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(Cl)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095572261 562769388 /nfs/dbraw/zinc/76/93/88/562769388.db2.gz RZUNQYVVHQEDEQ-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(Cl)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095572261 562769389 /nfs/dbraw/zinc/76/93/89/562769389.db2.gz RZUNQYVVHQEDEQ-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(Cl)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095572261 562769390 /nfs/dbraw/zinc/76/93/90/562769390.db2.gz RZUNQYVVHQEDEQ-AGJHSZMPSA-N 2 1 827.419 5.450 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCSCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095573319 562769616 /nfs/dbraw/zinc/76/96/16/562769616.db2.gz UWOSVHLQBJCRKG-BWELLIPCSA-N 2 1 538.798 5.292 1 0 KKAFMP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@H+]7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[NH+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786274 /nfs/dbraw/zinc/78/62/74/562786274.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 2 1 799.032 6.750 1 0 KKAFMP CN(C)CCC[NH2+]CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096258045 562792803 /nfs/dbraw/zinc/79/28/03/562792803.db2.gz GQMOUDKJIKBGEC-UHFFFAOYSA-N 2 1 631.225 5.436 1 0 KKAFMP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000096901339 562797052 /nfs/dbraw/zinc/79/70/52/562797052.db2.gz QWBJTXQXVHSIER-UHFFFAOYSA-N 2 1 565.589 6.613 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096903121 562797782 /nfs/dbraw/zinc/79/77/82/562797782.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 2 1 780.840 9.392 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096903121 562797783 /nfs/dbraw/zinc/79/77/83/562797783.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 2 1 780.840 9.392 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096903121 562797784 /nfs/dbraw/zinc/79/77/84/562797784.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 2 1 780.840 9.392 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@@H+]2C/C(=C/C)[C@@H]6C[C@H]21 ZINC000101452481 562810749 /nfs/dbraw/zinc/81/07/49/562810749.db2.gz XISKMNBBUQQBBE-CKFFPJIXSA-N 2 1 552.766 6.129 1 0 KKAFMP CCOC(=O)N1CC[NH+](CCCCCCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1 ZINC000102172977 562812833 /nfs/dbraw/zinc/81/28/33/562812833.db2.gz ABBXOBHUMXCOGM-PKQPGRETSA-N 2 1 593.813 5.032 1 0 KKAFMP O[C@@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000102207555 562812927 /nfs/dbraw/zinc/81/29/27/562812927.db2.gz FLPJQQDDZSHBDC-MGOZPMTQSA-N 2 1 548.775 6.807 1 0 KKAFMP O[C@@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000102207555 562812928 /nfs/dbraw/zinc/81/29/28/562812928.db2.gz FLPJQQDDZSHBDC-MGOZPMTQSA-N 2 1 548.775 6.807 1 0 KKAFMP CCC[N@@H+](CCCC[NH+]1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253157 562820464 /nfs/dbraw/zinc/82/04/64/562820464.db2.gz DEEUBMPGKJRJJU-SANMLTNESA-N 2 1 519.759 5.270 1 0 KKAFMP COc1cc2c(cc1OC)[C@@H](CC1=C(c3ccccc3)C[N@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C1)[NH2+]CC2 ZINC000105223257 562825179 /nfs/dbraw/zinc/82/51/79/562825179.db2.gz SKPRLNUWCGPXAF-FQLXRVMXSA-N 2 1 526.677 5.755 1 0 KKAFMP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[N@@H+](C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795435 562830654 /nfs/dbraw/zinc/83/06/54/562830654.db2.gz OQQLKHVTFRESEW-CYUPURTHSA-N 2 1 576.181 6.949 1 0 KKAFMP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[N@@H+](C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795436 562830697 /nfs/dbraw/zinc/83/06/97/562830697.db2.gz OQQLKHVTFRESEW-GECAFNLLSA-N 2 1 576.181 6.949 1 0 KKAFMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCCCCc1cnnn1CCNc1c3ccccc3[nH+]c3c1CCCC3)CC2 ZINC000139479855 562832541 /nfs/dbraw/zinc/83/25/41/562832541.db2.gz CYNQBOTZAQCFGD-RRHRGVEJSA-N 2 1 644.864 7.585 1 0 KKAFMP 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 ZINC000146785905 562838770 /nfs/dbraw/zinc/83/87/70/562838770.db2.gz NSAFCVYUZIQKHJ-LMIVATOFSA-N 2 1 633.592 5.201 1 0 KKAFMP 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 ZINC000146707074 562838800 /nfs/dbraw/zinc/83/88/00/562838800.db2.gz NSAFCVYUZIQKHJ-WAWILOFOSA-N 2 1 633.592 5.201 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000150351836 562843264 /nfs/dbraw/zinc/84/32/64/562843264.db2.gz CVSHABYVKZAERD-BNMQLMAQSA-N 2 1 678.918 8.086 1 0 KKAFMP 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)cc2Cl)CC1 ZINC000150540834 562844196 /nfs/dbraw/zinc/84/41/96/562844196.db2.gz YDSPZKYEUWKLNB-JZTDQRQXSA-N 2 1 660.284 6.514 1 0 KKAFMP CC[NH+](CCCCOc1cc(O)c2c(c1)occ(-c1ccc(OCCCC[N@@H+](CC)Cc3ccccc3OC)cc1)c2=O)Cc1ccccc1OC ZINC000150599238 562846979 /nfs/dbraw/zinc/84/69/79/562846979.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1cc(O)c2c(c1)occ(-c1ccc(OCCCC[N@H+](CC)Cc3ccccc3OC)cc1)c2=O)Cc1ccccc1OC ZINC000150599238 562846980 /nfs/dbraw/zinc/84/69/80/562846980.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4OC)cc(O)c3c2=O)cc1)Cc1ccccc1OC ZINC000150599238 562846981 /nfs/dbraw/zinc/84/69/81/562846981.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4OC)cc(O)c3c2=O)cc1)Cc1ccccc1OC ZINC000150599238 562846982 /nfs/dbraw/zinc/84/69/82/562846982.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1cc(=O)c2c(O)c(-c3ccc(OCCCC[N@@H+](CC)Cc4ccccc4OC)cc3)coc-2c1)Cc1ccccc1OC ZINC000150599238 562846983 /nfs/dbraw/zinc/84/69/83/562846983.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1cc(=O)c2c(O)c(-c3ccc(OCCCC[N@H+](CC)Cc4ccccc4OC)cc3)coc-2c1)Cc1ccccc1OC ZINC000150599238 562846984 /nfs/dbraw/zinc/84/69/84/562846984.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4OC)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000150599238 562846985 /nfs/dbraw/zinc/84/69/85/562846985.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4OC)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000150599238 562846986 /nfs/dbraw/zinc/84/69/86/562846986.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 2 1 708.896 8.545 1 0 KKAFMP CC[NH+](CCCCOc1cc(O)c2c(c1)occ(-c1ccc(OCCCC[N@@H+](CC)Cc3ccccc3)cc1)c2=O)Cc1ccccc1 ZINC000150599234 562846992 /nfs/dbraw/zinc/84/69/92/562846992.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1cc(O)c2c(c1)occ(-c1ccc(OCCCC[N@H+](CC)Cc3ccccc3)cc1)c2=O)Cc1ccccc1 ZINC000150599234 562846993 /nfs/dbraw/zinc/84/69/93/562846993.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4)cc(O)c3c2=O)cc1)Cc1ccccc1 ZINC000150599234 562846994 /nfs/dbraw/zinc/84/69/94/562846994.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4)cc(O)c3c2=O)cc1)Cc1ccccc1 ZINC000150599234 562846995 /nfs/dbraw/zinc/84/69/95/562846995.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1cc(=O)c2c(O)c(-c3ccc(OCCCC[N@@H+](CC)Cc4ccccc4)cc3)coc-2c1)Cc1ccccc1 ZINC000150599234 562846996 /nfs/dbraw/zinc/84/69/96/562846996.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1cc(=O)c2c(O)c(-c3ccc(OCCCC[N@H+](CC)Cc4ccccc4)cc3)coc-2c1)Cc1ccccc1 ZINC000150599234 562846997 /nfs/dbraw/zinc/84/69/97/562846997.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4)cc(=O)c-3c2O)cc1)Cc1ccccc1 ZINC000150599234 562846998 /nfs/dbraw/zinc/84/69/98/562846998.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4)cc(=O)c-3c2O)cc1)Cc1ccccc1 ZINC000150599234 562846999 /nfs/dbraw/zinc/84/69/99/562846999.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 2 1 648.844 8.528 1 0 KKAFMP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169268 562849254 /nfs/dbraw/zinc/84/92/54/562849254.db2.gz IZCZXQSGSYYKSO-NBRFXYHLSA-N 2 1 761.944 8.423 1 0 KKAFMP 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+]CCNc4cc[nH+]c5cc(Cl)ccc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000169302343 562853065 /nfs/dbraw/zinc/85/30/65/562853065.db2.gz TWPCLFZLGQXGOJ-IAKKQPNNSA-N 2 1 723.399 7.553 1 0 KKAFMP O=c1c(CCCCCC[NH+]2CCN(c3ccccc3)CC2)c(O)c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319124 562856170 /nfs/dbraw/zinc/85/61/70/562856170.db2.gz QJVMWDGVNXQZNK-SSEXGKCCSA-N 2 1 530.757 5.481 1 0 KKAFMP CC[NH+]1CCN(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356859 562863874 /nfs/dbraw/zinc/86/38/74/562863874.db2.gz KBKMCQSBCNCPIL-AOQDKHGRSA-N 2 1 500.775 5.284 1 0 KKAFMP CCN1CCN(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356859 562863875 /nfs/dbraw/zinc/86/38/75/562863875.db2.gz KBKMCQSBCNCPIL-AOQDKHGRSA-N 2 1 500.775 5.284 1 0 KKAFMP CCN1CCN(CC[N@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356859 562863876 /nfs/dbraw/zinc/86/38/76/562863876.db2.gz KBKMCQSBCNCPIL-AOQDKHGRSA-N 2 1 500.775 5.284 1 0 KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716359 562871276 /nfs/dbraw/zinc/87/12/76/562871276.db2.gz XTXRFZVMWNLBLL-PPMUGQOBSA-N 2 1 698.945 7.230 1 0 KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716359 562871277 /nfs/dbraw/zinc/87/12/77/562871277.db2.gz XTXRFZVMWNLBLL-PPMUGQOBSA-N 2 1 698.945 7.230 1 0 KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716359 562871278 /nfs/dbraw/zinc/87/12/78/562871278.db2.gz XTXRFZVMWNLBLL-PPMUGQOBSA-N 2 1 698.945 7.230 1 0 KKAFMP Cc1cc(Nc2[nH]c3ccccc3[nH+]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299824934 562883435 /nfs/dbraw/zinc/88/34/35/562883435.db2.gz FCGYOUSOTWCHEF-HZCBDIJESA-N 2 1 556.674 7.094 1 0 KKAFMP C[N@@H+]1CCC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)C1 ZINC000299836560 562887245 /nfs/dbraw/zinc/88/72/45/562887245.db2.gz NPDBZGWDNRJYIQ-NRFANRHFSA-N 2 1 542.647 6.610 1 0 KKAFMP C[N@H+]1CCC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)C1 ZINC000299836560 562887246 /nfs/dbraw/zinc/88/72/46/562887246.db2.gz NPDBZGWDNRJYIQ-NRFANRHFSA-N 2 1 542.647 6.610 1 0 KKAFMP Cn1cc(OCc2ccccc2)c(=O)cc1C[NH2+]CCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299840663 562888643 /nfs/dbraw/zinc/88/86/43/562888643.db2.gz YHTJSIOLUBGVFO-UHFFFAOYSA-N 2 1 505.062 5.928 1 0 KKAFMP CC[NH+](CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864120 562894033 /nfs/dbraw/zinc/89/40/33/562894033.db2.gz LZNTUKFMGLSYSB-YCNHBXJWSA-N 2 1 559.710 6.182 1 0 KKAFMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152157 562901776 /nfs/dbraw/zinc/90/17/76/562901776.db2.gz ZNKKWDWTXAGSNK-SXSPYAJSSA-N 2 1 568.545 6.620 1 0 KKAFMP CO[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152158 562901806 /nfs/dbraw/zinc/90/18/06/562901806.db2.gz ZNKKWDWTXAGSNK-TZYHBYERSA-N 2 1 568.545 6.620 1 0 KKAFMP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(OCc4cccc(COc5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)c4)cc3)nc2c1 ZINC000473155014 562902341 /nfs/dbraw/zinc/90/23/41/562902341.db2.gz NZVOQDJTJXHMLN-UHFFFAOYSA-N 2 1 606.690 6.499 1 0 KKAFMP NC(=[NH2+])c1ccc2nc(-c3ccc(OCc4cccc(COc5ccc(-c6nc7ccc(C(N)=[NH2+])cc7[nH]6)cc5)c4)cc3)[nH]c2c1 ZINC000473155014 562902342 /nfs/dbraw/zinc/90/23/42/562902342.db2.gz NZVOQDJTJXHMLN-UHFFFAOYSA-N 2 1 606.690 6.499 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000473165343 562902965 /nfs/dbraw/zinc/90/29/65/562902965.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 2 1 528.480 5.576 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)CC1 ZINC000473165343 562902966 /nfs/dbraw/zinc/90/29/66/562902966.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 2 1 528.480 5.576 1 0 KKAFMP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473179708 562903448 /nfs/dbraw/zinc/90/34/48/562903448.db2.gz BZACNLCOLFMVGZ-XGAFWQRZSA-N 2 1 512.481 6.605 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)ccc3OC)cc1)[NH+](C)CC2 ZINC000005438294 561695955 /nfs/dbraw/zinc/69/59/55/561695955.db2.gz MEETXPGMOAAZPG-AJQTZOPKSA-N 2 1 624.778 6.762 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)ccc3OC)cc1)[N@H+](C)CC2 ZINC000005438294 561695958 /nfs/dbraw/zinc/69/59/58/561695958.db2.gz MEETXPGMOAAZPG-AJQTZOPKSA-N 2 1 624.778 6.762 1 0 KKAFMP COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)ccc3OC)cc1)[N@@H+](C)CC2 ZINC000005438294 561695960 /nfs/dbraw/zinc/69/59/60/561695960.db2.gz MEETXPGMOAAZPG-AJQTZOPKSA-N 2 1 624.778 6.762 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000005741899 561698013 /nfs/dbraw/zinc/69/80/13/561698013.db2.gz AMSNINGPDSUBHZ-WJHDLLBFSA-N 2 1 564.774 6.561 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000005741899 561698014 /nfs/dbraw/zinc/69/80/14/561698014.db2.gz AMSNINGPDSUBHZ-WJHDLLBFSA-N 2 1 564.774 6.561 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000005741899 561698016 /nfs/dbraw/zinc/69/80/16/561698016.db2.gz AMSNINGPDSUBHZ-WJHDLLBFSA-N 2 1 564.774 6.561 1 0 KKAFMP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557230 561718927 /nfs/dbraw/zinc/71/89/27/561718927.db2.gz WLRLTOOAYKMFCQ-SZPZYZBQSA-N 2 1 516.686 5.304 1 0 KKAFMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557230 561718929 /nfs/dbraw/zinc/71/89/29/561718929.db2.gz WLRLTOOAYKMFCQ-SZPZYZBQSA-N 2 1 516.686 5.304 1 0 KKAFMP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557230 561718931 /nfs/dbraw/zinc/71/89/31/561718931.db2.gz WLRLTOOAYKMFCQ-SZPZYZBQSA-N 2 1 516.686 5.304 1 0 KKAFMP CCN(CC)c1ccc(N2CC[NH+](C[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)[nH+]c1N(CC)CC ZINC000013651317 561723148 /nfs/dbraw/zinc/72/31/48/561723148.db2.gz XFUNZJAYNITYED-HKBQPEDESA-N 2 1 523.766 5.311 1 0 KKAFMP CC[NH+](CC)CCCCC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719853 561814932 /nfs/dbraw/zinc/81/49/32/561814932.db2.gz IPOXNCVFCJPRCT-UHFFFAOYSA-N 2 1 580.173 6.612 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739789 561817923 /nfs/dbraw/zinc/81/79/23/561817923.db2.gz RISRWZCCASMJER-AWSIMMLFSA-N 2 1 718.986 8.569 1 0 KKAFMP C[N@@H+](Cc1c(-c2ccc(NC(=O)CCC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027189577 561843319 /nfs/dbraw/zinc/84/33/19/561843319.db2.gz JVBJPLUJGOISDF-UHFFFAOYSA-N 2 1 679.793 6.517 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421272 561857685 /nfs/dbraw/zinc/85/76/85/561857685.db2.gz IMWCKHQQVPILQC-NJLSNJMASA-N 2 1 679.906 6.213 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421200 561857710 /nfs/dbraw/zinc/85/77/10/561857710.db2.gz XWGIRFFCAHGQSB-FBQARNPHSA-N 2 1 682.262 5.006 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421205 561857723 /nfs/dbraw/zinc/85/77/23/561857723.db2.gz XWGIRFFCAHGQSB-CPBPYYNTSA-N 2 1 682.262 5.006 1 0 KKAFMP C[NH2+]CCCCCC[N@@H+](C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 ZINC000027551795 561868151 /nfs/dbraw/zinc/86/81/51/561868151.db2.gz VDSSOFQYDAIUHS-UHFFFAOYSA-N 2 1 607.844 5.210 1 0 KKAFMP C[NH2+]CCCCCC[N@H+](C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)c1 ZINC000027551795 561868152 /nfs/dbraw/zinc/86/81/52/561868152.db2.gz VDSSOFQYDAIUHS-UHFFFAOYSA-N 3 1 607.844 5.210 1 0 KKAFMP C[NH2+]CCCCCC[N@@H+](C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)c1 ZINC000027551795 561868153 /nfs/dbraw/zinc/86/81/53/561868153.db2.gz VDSSOFQYDAIUHS-UHFFFAOYSA-N 3 1 607.844 5.210 1 0 KKAFMP O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CC1CC1)CC3 ZINC000027561568 561870743 /nfs/dbraw/zinc/87/07/43/561870743.db2.gz DIXHMXZSDRJNLS-UBCRSLPBSA-N 2 1 676.942 7.915 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+]Cc4cccc5ccccc54)CC3)cc[nH+]c2c1 ZINC000027638586 561874962 /nfs/dbraw/zinc/87/49/62/561874962.db2.gz HINGSMRTJKPWEE-UHFFFAOYSA-N 3 1 502.106 5.641 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000028104188 561902051 /nfs/dbraw/zinc/90/20/51/561902051.db2.gz XKOGFRLCVUGXQM-FQEVSTJZSA-N 2 1 555.953 7.032 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC000028116896 561903912 /nfs/dbraw/zinc/90/39/12/561903912.db2.gz HWPHQPMZIHYQFM-HXUWFJFHSA-N 2 1 539.498 6.517 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000028118214 561904064 /nfs/dbraw/zinc/90/40/64/561904064.db2.gz JFXCXQOKAKRIBF-OAQYLSRUSA-N 2 1 571.515 7.258 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000028118575 561904243 /nfs/dbraw/zinc/90/42/43/561904243.db2.gz VWTADDJLCLNKRO-QFIPXVFZSA-N 2 1 503.518 6.239 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000028118582 561904255 /nfs/dbraw/zinc/90/42/55/561904255.db2.gz VWTADDJLCLNKRO-JOCHJYFZSA-N 2 1 503.518 6.239 1 0 KKAFMP C[C@@H]([NH2+]CCc1cccs1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028373741 561918773 /nfs/dbraw/zinc/91/87/73/561918773.db2.gz YCTBURIPZZAXBL-YEBBBOQJSA-N 2 1 656.296 5.385 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645970 561944726 /nfs/dbraw/zinc/94/47/26/561944726.db2.gz DHUKBDYVZDFTNL-UUWRZZSWSA-N 2 1 545.762 7.086 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(CC[N@@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)C1CC1 ZINC000028714055 561954613 /nfs/dbraw/zinc/95/46/13/561954613.db2.gz XPPYJULWDBEONT-CQLQFIPLSA-N 2 1 621.870 5.087 1 0 KKAFMP C[NH+](CCCCCC[N@H+](C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028820425 561966053 /nfs/dbraw/zinc/96/60/53/561966053.db2.gz XZTMAHIQTUWUBD-UHFFFAOYSA-N 2 1 618.778 6.089 1 0 KKAFMP C[C@@H]([NH2+]CCCCCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824129 561969045 /nfs/dbraw/zinc/96/90/45/561969045.db2.gz QTZHZSUFNWXXCM-HSZRJFAPSA-N 2 1 548.131 6.627 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 561972734 /nfs/dbraw/zinc/97/27/34/561972734.db2.gz ISNGXRPSKCDGJO-GDLZYMKVSA-N 2 1 598.738 5.566 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@@H+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 561972735 /nfs/dbraw/zinc/97/27/35/561972735.db2.gz ISNGXRPSKCDGJO-GDLZYMKVSA-N 2 1 598.738 5.566 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@H+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 561972737 /nfs/dbraw/zinc/97/27/37/561972737.db2.gz ISNGXRPSKCDGJO-GDLZYMKVSA-N 2 1 598.738 5.566 1 0 KKAFMP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2C(F)(F)F)C1 ZINC000028864164 561972751 /nfs/dbraw/zinc/97/27/51/561972751.db2.gz IUUWULWFDTYCPB-UHFFFAOYSA-N 2 1 665.757 5.867 1 0 KKAFMP Cc1c2ccccc2sc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2C(F)(F)F)C1 ZINC000028864164 561972752 /nfs/dbraw/zinc/97/27/52/561972752.db2.gz IUUWULWFDTYCPB-UHFFFAOYSA-N 2 1 665.757 5.867 1 0 KKAFMP Cc1c2ccccc2sc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2C(F)(F)F)C1 ZINC000028864164 561972753 /nfs/dbraw/zinc/97/27/53/561972753.db2.gz IUUWULWFDTYCPB-UHFFFAOYSA-N 2 1 665.757 5.867 1 0 KKAFMP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC[N@@H+](C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874809 561975267 /nfs/dbraw/zinc/97/52/67/561975267.db2.gz XVXQCAYRXMTFHP-UMSFTDKQSA-N 2 1 584.805 6.383 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4OC(F)(F)F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953967 561982762 /nfs/dbraw/zinc/98/27/62/561982762.db2.gz OYPQZIWOGTZHSR-WDYNHAJCSA-N 2 1 621.188 6.299 1 0 KKAFMP COc1ccc(C[N@@H+](C)CC2(N3CCN(C(=O)[C@H]4C[NH+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954013 561982978 /nfs/dbraw/zinc/98/29/78/561982978.db2.gz VADTZUSEJIPJOH-ZWXJPIIXSA-N 2 1 581.245 5.752 1 0 KKAFMP COc1ccc(C[NH+](C)CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954013 561982979 /nfs/dbraw/zinc/98/29/79/561982979.db2.gz VADTZUSEJIPJOH-ZWXJPIIXSA-N 2 1 581.245 5.752 1 0 KKAFMP COc1ccc(C[NH+](C)CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954013 561982980 /nfs/dbraw/zinc/98/29/80/561982980.db2.gz VADTZUSEJIPJOH-ZWXJPIIXSA-N 2 1 581.245 5.752 1 0 KKAFMP CC(C)C[NH+](Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)CC(C)C ZINC000028959709 561983974 /nfs/dbraw/zinc/98/39/74/561983974.db2.gz HDDGSGDDNMFTPV-IOWSJCHKSA-N 2 1 553.235 6.227 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953978 561982735 /nfs/dbraw/zinc/98/27/35/561982735.db2.gz DSVKUAQZLWIFGS-IHLOFXLRSA-N 2 1 571.637 6.054 1 0 KKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055766 561994976 /nfs/dbraw/zinc/99/49/76/561994976.db2.gz XFXBGPOUAKCCMC-LQFQNGICSA-N 2 1 548.856 8.406 1 0 in-vivo KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@H+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042148 561991335 /nfs/dbraw/zinc/99/13/35/561991335.db2.gz AMSNINGPDSUBHZ-GLVHYVLVSA-N 2 1 564.774 6.561 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[N@@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042148 561991336 /nfs/dbraw/zinc/99/13/36/561991336.db2.gz AMSNINGPDSUBHZ-GLVHYVLVSA-N 2 1 564.774 6.561 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[N@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042148 561991337 /nfs/dbraw/zinc/99/13/37/561991337.db2.gz AMSNINGPDSUBHZ-GLVHYVLVSA-N 2 1 564.774 6.561 1 0 KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000029130591 562002746 /nfs/dbraw/zinc/00/27/46/562002746.db2.gz PPTOSGVZGIFRJG-QXIHQKPUSA-N 2 1 600.223 5.017 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@H](C(C)C)[NH+](C)C)c1 ZINC000029131148 562002901 /nfs/dbraw/zinc/00/29/01/562002901.db2.gz ILOXRJFEOIRZEM-WTGSTYHVSA-N 2 1 567.218 5.450 1 0 KKAFMP [NH3+]CCCCCC[NH2+]C[C@@H]1C[N@@H+](CCc2c[nH]c3ccccc23)C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029405306 562020583 /nfs/dbraw/zinc/02/05/83/562020583.db2.gz PAQVLRWXMDPGMP-QPCXHTPLSA-N 3 1 598.832 5.283 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029486058 562028346 /nfs/dbraw/zinc/02/83/46/562028346.db2.gz GGHNBTBENUTEQV-UWXQCODUSA-N 2 1 654.940 6.739 1 0 KKAFMP CCCCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546209 562029939 /nfs/dbraw/zinc/02/99/39/562029939.db2.gz IKZKJTZSLURQHH-LOYHVIPDSA-N 2 1 526.810 5.408 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](CCCCCCCCCC[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000029550933 562030939 /nfs/dbraw/zinc/03/09/39/562030939.db2.gz VUAPWEZMELHKGR-HNRBIFIRSA-N 2 1 506.820 5.268 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CCCCCCCCCC[NH+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000029550933 562030940 /nfs/dbraw/zinc/03/09/40/562030940.db2.gz VUAPWEZMELHKGR-HNRBIFIRSA-N 2 1 506.820 5.268 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](CCCCCCCCCC[NH+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000029550933 562030941 /nfs/dbraw/zinc/03/09/41/562030941.db2.gz VUAPWEZMELHKGR-HNRBIFIRSA-N 2 1 506.820 5.268 1 0 KKAFMP CCCCCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551888 562031174 /nfs/dbraw/zinc/03/11/74/562031174.db2.gz VASSRGYVSNRJNX-MEKGRNQZSA-N 2 1 554.864 6.188 1 0 KKAFMP CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551888 562031175 /nfs/dbraw/zinc/03/11/75/562031175.db2.gz VASSRGYVSNRJNX-MEKGRNQZSA-N 2 1 554.864 6.188 1 0 KKAFMP CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551888 562031176 /nfs/dbraw/zinc/03/11/76/562031176.db2.gz VASSRGYVSNRJNX-MEKGRNQZSA-N 2 1 554.864 6.188 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351675 562058963 /nfs/dbraw/zinc/05/89/63/562058963.db2.gz CYSAXXFGKMEENX-XIFFEERXSA-N 2 1 580.575 7.992 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351675 562058964 /nfs/dbraw/zinc/05/89/64/562058964.db2.gz CYSAXXFGKMEENX-XIFFEERXSA-N 2 1 580.575 7.992 1 0 KKAFMP [NH2+]=C(NCCCNCCC[NH2+]CCCNC(=[NH2+])NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000037858551 562062162 /nfs/dbraw/zinc/06/21/62/562062162.db2.gz DOJDPTJWDGGRDZ-UHFFFAOYSA-N 3 1 660.955 6.008 1 0 KKAFMP O=C1N(CC[NH2+]CC2CCCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000042805488 562089215 /nfs/dbraw/zinc/08/92/15/562089215.db2.gz AQGQQVZAISJFLE-UHFFFAOYSA-N 2 1 605.654 7.394 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[NH2+][C@@H]4C2)CC[N@@H+]1C ZINC000042804937 562088965 /nfs/dbraw/zinc/08/89/65/562088965.db2.gz REKCBEFSIKOPTD-VSGBNLITSA-N 2 1 594.708 6.517 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044418802 562657332 /nfs/dbraw/zinc/65/73/32/562657332.db2.gz SCMBUYRUMCHTRX-DGKNVMSKSA-N 2 1 574.806 6.626 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)CCC3CCCC3)c2)c1 ZINC000045167432 562658001 /nfs/dbraw/zinc/65/80/01/562658001.db2.gz RUTBWYWBYBZNKR-UHFFFAOYSA-N 2 1 532.817 6.036 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167582 562658015 /nfs/dbraw/zinc/65/80/15/562658015.db2.gz IKDJAOXFRNRZIU-MUUNZHRXSA-N 2 1 533.738 6.163 1 0 KKAFMP c1cc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)oc1C[NH2+]CCN1CCOCC1 ZINC000045191151 562658485 /nfs/dbraw/zinc/65/84/85/562658485.db2.gz LBTUEHMXNFJWHL-UHFFFAOYSA-N 2 1 520.633 6.453 1 0 KKAFMP C[C@@H](Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201724 562659047 /nfs/dbraw/zinc/65/90/47/562659047.db2.gz UPJUYKHBVUUAHI-IADCTJSHSA-N 2 1 511.632 5.277 1 0 KKAFMP C[C@H](Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201730 562659123 /nfs/dbraw/zinc/65/91/23/562659123.db2.gz UPJUYKHBVUUAHI-RNWIMVQKSA-N 2 1 511.632 5.277 1 0 KKAFMP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000045245473 562659739 /nfs/dbraw/zinc/65/97/39/562659739.db2.gz KPQJQZXAXPLRFI-UHFFFAOYSA-N 2 1 526.660 5.606 1 0 in-vivo KKAFMP Cc1ccc2c(c1)[nH+]c(N1CCCC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045253726 562659862 /nfs/dbraw/zinc/65/98/62/562659862.db2.gz OWBJDMRAJLJHRC-UHFFFAOYSA-N 2 1 534.708 6.001 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049605212 562665526 /nfs/dbraw/zinc/66/55/26/562665526.db2.gz BHZCIWBAMXRILF-UHFFFAOYSA-N 2 1 575.801 6.358 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049605689 562666244 /nfs/dbraw/zinc/66/62/44/562666244.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 2 1 698.860 8.733 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049605689 562666245 /nfs/dbraw/zinc/66/62/45/562666245.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 2 1 698.860 8.733 1 0 KKAFMP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4ccccc4)C3)cc2)c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000049626097 562667026 /nfs/dbraw/zinc/66/70/26/562667026.db2.gz GRPPRMZAVAEHJT-UMSFTDKQSA-N 2 1 557.782 7.128 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049639957 562667828 /nfs/dbraw/zinc/66/78/28/562667828.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 2 1 734.293 8.781 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049639957 562667829 /nfs/dbraw/zinc/66/78/29/562667829.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 2 1 734.293 8.781 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049639957 562667830 /nfs/dbraw/zinc/66/78/30/562667830.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 2 1 734.293 8.781 1 0 KKAFMP COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[NH+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)[N@@H+](C)CC4)cc1 ZINC000049639918 562667846 /nfs/dbraw/zinc/66/78/46/562667846.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 2 1 742.869 8.382 1 0 KKAFMP COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[N@@H+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)[NH+](C)CC4)cc1 ZINC000049639918 562667847 /nfs/dbraw/zinc/66/78/47/562667847.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 2 1 742.869 8.382 1 0 KKAFMP COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[N@H+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)[NH+](C)CC4)cc1 ZINC000049639918 562667848 /nfs/dbraw/zinc/66/78/48/562667848.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 2 1 742.869 8.382 1 0 KKAFMP CC1CCN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7ccc(C(=[NH2+])N8CCC(C)CC8)cc7[nH]6)cc5)cc4)nc3c2)CC1 ZINC000049650019 562667931 /nfs/dbraw/zinc/66/79/31/562667931.db2.gz NWTMZKJAMIRLSG-UHFFFAOYSA-N 2 1 650.831 8.680 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049650158 562668018 /nfs/dbraw/zinc/66/80/18/562668018.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 2 1 712.843 8.373 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049650158 562668019 /nfs/dbraw/zinc/66/80/19/562668019.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 2 1 712.843 8.373 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049650158 562668020 /nfs/dbraw/zinc/66/80/20/562668020.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 2 1 712.843 8.373 1 0 KKAFMP Clc1ccc2c(NCCN(CC[NH+](Cc3ccccc3)Cc3ccccc3)CC[NH+](Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000049694993 562670085 /nfs/dbraw/zinc/67/00/85/562670085.db2.gz QYKNYRVSOKBIMP-UHFFFAOYSA-N 3 1 668.329 9.007 1 0 KKAFMP CCCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771668 562678322 /nfs/dbraw/zinc/67/83/22/562678322.db2.gz IUGSRCIKKGHTBK-WESWGPCISA-N 2 1 675.962 8.765 1 0 KKAFMP CCCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771668 562678323 /nfs/dbraw/zinc/67/83/23/562678323.db2.gz IUGSRCIKKGHTBK-WESWGPCISA-N 2 1 675.962 8.765 1 0 KKAFMP CCCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771668 562678324 /nfs/dbraw/zinc/67/83/24/562678324.db2.gz IUGSRCIKKGHTBK-WESWGPCISA-N 2 1 675.962 8.765 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776343 562679392 /nfs/dbraw/zinc/67/93/92/562679392.db2.gz UMCNAJOTZHHMOT-XIFFEERXSA-N 2 1 646.581 8.752 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776343 562679393 /nfs/dbraw/zinc/67/93/93/562679393.db2.gz UMCNAJOTZHHMOT-XIFFEERXSA-N 2 1 646.581 8.752 1 0 KKAFMP Fc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777639 562680362 /nfs/dbraw/zinc/68/03/62/562680362.db2.gz ZSBIPLKZQFBMTM-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777639 562680363 /nfs/dbraw/zinc/68/03/63/562680363.db2.gz ZSBIPLKZQFBMTM-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777639 562680364 /nfs/dbraw/zinc/68/03/64/562680364.db2.gz ZSBIPLKZQFBMTM-XQGRUXGKSA-N 3 1 673.965 6.189 1 0 KKAFMP CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000049841425 562688354 /nfs/dbraw/zinc/68/83/54/562688354.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 2 1 708.896 8.349 1 0 KKAFMP CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000049841425 562688355 /nfs/dbraw/zinc/68/83/55/562688355.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 2 1 708.896 8.349 1 0 KKAFMP CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000049841425 562688356 /nfs/dbraw/zinc/68/83/56/562688356.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 2 1 708.896 8.349 1 0 KKAFMP C[C@H](Cc1ccc(C[NH+](CC(N)=O)Cc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917814 562693973 /nfs/dbraw/zinc/69/39/73/562693973.db2.gz XFAQNBFQMXDPNG-FQLXRVMXSA-N 3 1 645.719 7.008 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942251 562695390 /nfs/dbraw/zinc/69/53/90/562695390.db2.gz ZHNVEXZKXNWTHM-GYMSUEAGSA-N 3 1 725.911 7.980 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942265 562695406 /nfs/dbraw/zinc/69/54/06/562695406.db2.gz ZHNVEXZKXNWTHM-SKQHJFOWSA-N 3 1 725.911 7.980 1 0 KKAFMP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])N[C@H](C)CC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000052800270 562695923 /nfs/dbraw/zinc/69/59/23/562695923.db2.gz OIYDUEJDAGOPOS-FGZHOGPDSA-N 2 1 598.755 7.992 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000055753309 562697752 /nfs/dbraw/zinc/69/77/52/562697752.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 2 1 638.761 6.868 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000055753309 562697753 /nfs/dbraw/zinc/69/77/53/562697753.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 2 1 638.761 6.868 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000055753309 562697754 /nfs/dbraw/zinc/69/77/54/562697754.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 2 1 638.761 6.868 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000055753309 562697755 /nfs/dbraw/zinc/69/77/55/562697755.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 2 1 638.761 6.868 1 0 KKAFMP Cc1c(C(=O)NCCCCC[N@@H+](C)CCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064511845 562706186 /nfs/dbraw/zinc/70/61/86/562706186.db2.gz ZWEUSOIZQIEIES-UHFFFAOYSA-N 2 1 564.989 6.769 1 0 KKAFMP Cc1cc(Cl)c(OCCOc2ccc(C[C@H](C[NH3+])c3ccc(-c4cc[nH+]c(N)c4)cc3C)cc2)c(Cl)c1 ZINC000064549355 562708041 /nfs/dbraw/zinc/70/80/41/562708041.db2.gz XHLCQIDTHMOIJG-XMMPIXPASA-N 2 1 536.503 6.997 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073944 562709619 /nfs/dbraw/zinc/70/96/19/562709619.db2.gz HGSQOYNWHXVVJS-YTTGMZPUSA-N 2 1 592.788 5.610 1 0 KKAFMP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066113193 562712181 /nfs/dbraw/zinc/71/21/81/562712181.db2.gz CBLCXALBXLEYGL-WZFJQBBKSA-N 3 1 549.852 5.018 3 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066166202 562714053 /nfs/dbraw/zinc/71/40/53/562714053.db2.gz XRJBVWFHDHOWJP-SKXFTCKDSA-N 3 1 611.923 5.995 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@@H+](CCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071296337 562717522 /nfs/dbraw/zinc/71/75/22/562717522.db2.gz BXUKKRHEMKVWOY-XIFFEERXSA-N 2 1 627.273 7.555 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)[N@H+](C)CC3 ZINC000084403323 562743007 /nfs/dbraw/zinc/74/30/07/562743007.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 2 1 729.712 8.273 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)[N@@H+](C)CC3 ZINC000084403323 562743008 /nfs/dbraw/zinc/74/30/08/562743008.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 2 1 729.712 8.273 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)[NH+](C)CC3 ZINC000084403323 562743009 /nfs/dbraw/zinc/74/30/09/562743009.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 2 1 729.712 8.273 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)[NH+](C)CC3 ZINC000084403323 562743010 /nfs/dbraw/zinc/74/30/10/562743010.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 2 1 729.712 8.273 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084756778 562752267 /nfs/dbraw/zinc/75/22/67/562752267.db2.gz STUKKPRVMQJVHH-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH2+]CC3 ZINC000085977034 562753442 /nfs/dbraw/zinc/75/34/42/562753442.db2.gz MSEKZZNGEVAPPO-NSOVKSMOSA-N 2 1 624.734 6.526 1 0 KKAFMP C[NH+](CCOC(=O)CCCCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540577 562755829 /nfs/dbraw/zinc/75/58/29/562755829.db2.gz URTDSECLQCJXGV-UHFFFAOYSA-N 2 1 821.762 7.326 1 0 KKAFMP C[NH+](CCOC(=O)CCCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540577 562755830 /nfs/dbraw/zinc/75/58/30/562755830.db2.gz URTDSECLQCJXGV-UHFFFAOYSA-N 2 1 821.762 7.326 1 0 KKAFMP C[NH+](CCOC(=O)CCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540759 562755982 /nfs/dbraw/zinc/75/59/82/562755982.db2.gz IEFRZYSOKBZESZ-UHFFFAOYSA-N 2 1 793.708 6.546 1 0 KKAFMP C[NH+](CCOC(=O)CCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540759 562755983 /nfs/dbraw/zinc/75/59/83/562755983.db2.gz IEFRZYSOKBZESZ-UHFFFAOYSA-N 2 1 793.708 6.546 1 0 KKAFMP 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[NH+](C)C)cc2C1=O ZINC000095604009 562780759 /nfs/dbraw/zinc/78/07/59/562780759.db2.gz WMQQUESCJJDFFW-BXWHCVCYSA-N 2 1 678.837 5.913 1 0 KKAFMP 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[NH+](C)C)cc2C1=O ZINC000095752181 562788795 /nfs/dbraw/zinc/78/87/95/562788795.db2.gz WMQQUESCJJDFFW-HYHRRZRMSA-N 2 1 678.837 5.913 1 0 KKAFMP CC[N@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284378 562795096 /nfs/dbraw/zinc/79/50/96/562795096.db2.gz DRWIINODRIXUJU-SSEXGKCCSA-N 2 1 537.708 5.622 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096887214 562796607 /nfs/dbraw/zinc/79/66/07/562796607.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 2 1 780.840 8.719 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096887214 562796608 /nfs/dbraw/zinc/79/66/08/562796608.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 2 1 780.840 8.719 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096887214 562796609 /nfs/dbraw/zinc/79/66/09/562796609.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 2 1 780.840 8.719 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033934 562806222 /nfs/dbraw/zinc/80/62/22/562806222.db2.gz VTFJWOXHAJNSBJ-UFEOWHGLSA-N 2 1 533.713 6.421 1 0 KKAFMP COc1ccccc1N1CC[NH+](Cc2ccc3c(c2)CO[C@]3(CCC[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000103245927 562819835 /nfs/dbraw/zinc/81/98/35/562819835.db2.gz IIJNYIWCIATESA-WJOKGBTCSA-N 2 1 503.662 5.272 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000103290499 562824076 /nfs/dbraw/zinc/82/40/76/562824076.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000103290499 562824077 /nfs/dbraw/zinc/82/40/77/562824077.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000103290499 562824078 /nfs/dbraw/zinc/82/40/78/562824078.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000103290499 562824079 /nfs/dbraw/zinc/82/40/79/562824079.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 2 1 624.734 6.565 1 0 KKAFMP O=C1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885449 562831086 /nfs/dbraw/zinc/83/10/86/562831086.db2.gz IGFCCVGOXSJNQX-PSXMRANNSA-N 2 1 558.766 6.369 1 0 KKAFMP C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCOCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140702970 562833310 /nfs/dbraw/zinc/83/33/10/562833310.db2.gz CXKLHZUCDRRWFU-DHLKQENFSA-N 2 1 548.694 5.014 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@H](CCCCC)C1C(=O)OCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351786 562843248 /nfs/dbraw/zinc/84/32/48/562843248.db2.gz SFDIEKIMWTVOJP-LOZIZWORSA-N 2 1 706.972 8.367 1 0 KKAFMP 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+]CCCNc5cc[nH+]c6cc(Cl)ccc56)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000150532524 562843840 /nfs/dbraw/zinc/84/38/40/562843840.db2.gz DNAOPRONASISLI-WSWGHJNFSA-N 2 1 652.320 8.048 1 0 KKAFMP Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CC[NH+]5CCC([NH+]6CCCC6)CC5)cc4)c3)CC2)nn1C ZINC000167928913 562851120 /nfs/dbraw/zinc/85/11/20/562851120.db2.gz UCFLPCZZROQSNW-AQOUDTPCSA-N 2 1 707.895 6.296 1 0 KKAFMP CC(=O)O[C@@H]1C[C@@H]2C[C@H]([NH3+])CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302311 562853050 /nfs/dbraw/zinc/85/30/50/562853050.db2.gz DYUIJQKGOAOEDP-HFDNLRPQSA-N 3 1 681.362 7.375 1 0 KKAFMP Clc1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccc(Cl)cc4)C2[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000169302982 562853146 /nfs/dbraw/zinc/85/31/46/562853146.db2.gz OBOMXJSGFCCWHY-NXFCCEIPSA-N 2 1 519.560 7.806 1 0 KKAFMP CCNc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317819 562856023 /nfs/dbraw/zinc/85/60/23/562856023.db2.gz IWYTUWMBDRWLJL-RPLLCQBOSA-N 2 1 502.577 6.019 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCN([C@H]5CC[NH2+]C5)CC4)c3c2)cc(Cl)c1O ZINC000203987113 562874255 /nfs/dbraw/zinc/87/42/55/562874255.db2.gz GLQMCKGYHGHBCP-NRFANRHFSA-N 2 1 521.061 5.100 1 0 KKAFMP CC[NH+](CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864118 562894029 /nfs/dbraw/zinc/89/40/29/562894029.db2.gz LZNTUKFMGLSYSB-LABVJWKOSA-N 2 1 559.710 6.182 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299867314 562894855 /nfs/dbraw/zinc/89/48/55/562894855.db2.gz QDLRHMZRLCCZQC-IEFDIXSJSA-N 2 1 557.694 5.936 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299870692 562895521 /nfs/dbraw/zinc/89/55/21/562895521.db2.gz WSGCGGATBVZWKD-ZVZYGMPWSA-N 2 1 571.721 6.326 1 0 KKAFMP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819973 562896205 /nfs/dbraw/zinc/89/62/05/562896205.db2.gz OTXLIPAOSRLZBT-UHFFFAOYSA-N 2 1 530.676 6.562 1 0 KKAFMP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848916 562896479 /nfs/dbraw/zinc/89/64/79/562896479.db2.gz FKJQBAZXCDGLHA-UHFFFAOYSA-N 2 1 517.637 5.364 1 0 KKAFMP CC[NH+](CC)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000473200833 562903835 /nfs/dbraw/zinc/90/38/35/562903835.db2.gz DYIDCYKYUPJJTQ-HZCBDIJESA-N 2 1 522.089 6.349 1 0 KKAFMP CCN(CC)C(=O)C[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 ZINC000473236520 562904683 /nfs/dbraw/zinc/90/46/83/562904683.db2.gz RMSTWPKEPDMVNK-QXGXYANZSA-N 2 1 573.870 6.686 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236520 562904684 /nfs/dbraw/zinc/90/46/84/562904684.db2.gz RMSTWPKEPDMVNK-QXGXYANZSA-N 2 1 573.870 6.686 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236520 562904685 /nfs/dbraw/zinc/90/46/85/562904685.db2.gz RMSTWPKEPDMVNK-QXGXYANZSA-N 2 1 573.870 6.686 1 0 KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[NH+](C)CC2 ZINC000042835355 565111280 /nfs/dbraw/zinc/11/12/80/565111280.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 biogenic,in-vivo KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[N@H+](C)CC2 ZINC000042835355 565111284 /nfs/dbraw/zinc/11/12/84/565111284.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 biogenic,in-vivo KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[N@@H+](C)CC2 ZINC000042835355 565111286 /nfs/dbraw/zinc/11/12/86/565111286.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 2 1 608.735 6.440 1 0 biogenic,in-vivo KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[N@@H+](C)CC5)OCO4)CC[NH+]1C ZINC000085541022 565139021 /nfs/dbraw/zinc/13/90/21/565139021.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[NH+](C)CC5)OCO4)CC[N@H+]1C ZINC000085541022 565139026 /nfs/dbraw/zinc/13/90/26/565139026.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[NH+](C)CC5)OCO4)CC[N@@H+]1C ZINC000085541022 565139031 /nfs/dbraw/zinc/13/90/31/565139031.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 2 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[NH+](C)CC2 ZINC000095909554 565175479 /nfs/dbraw/zinc/17/54/79/565175479.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[N@H+](C)CC2 ZINC000095909554 565175487 /nfs/dbraw/zinc/17/54/87/565175487.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[N@@H+](C)CC2 ZINC000095909554 565175490 /nfs/dbraw/zinc/17/54/90/565175490.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP C[NH+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000005888494 561699923 /nfs/dbraw/zinc/69/99/23/561699923.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 2 1 578.665 6.268 1 0 KKAFMP C[NH+]1CCc2cc(O)c3cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CC[N@H+]1C ZINC000005888494 561699924 /nfs/dbraw/zinc/69/99/24/561699924.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 2 1 578.665 6.268 1 0 KKAFMP CC(=O)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000014191824 561737635 /nfs/dbraw/zinc/73/76/35/561737635.db2.gz HQPISMGZXLHBTG-LXQNXJGFSA-N 2 1 560.774 5.129 1 0 KKAFMP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@H+]5C)c4)[nH+]c3c2)ccn1 ZINC000014965246 561749497 /nfs/dbraw/zinc/74/94/97/561749497.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 2 1 540.546 5.345 1 0 KKAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026578167 561802780 /nfs/dbraw/zinc/80/27/80/561802780.db2.gz HEBWZPZBOOBUDH-UHFFFAOYSA-N 2 1 638.078 5.714 1 0 KKAFMP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744191 561818526 /nfs/dbraw/zinc/81/85/26/561818526.db2.gz XNZBQOHYFIVFRF-KKLWWLSJSA-N 2 1 566.790 5.428 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H](c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000026746649 561818939 /nfs/dbraw/zinc/81/89/39/561818939.db2.gz VZJXMGYNIYBWAK-SVNRFNMRSA-N 2 1 514.626 5.186 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425209 561858297 /nfs/dbraw/zinc/85/82/97/561858297.db2.gz KJKZOKVFJPDHQM-QULJUXSESA-N 2 1 679.906 6.291 1 0 KKAFMP Oc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)Cc2ccc(O)cc2)cc1 ZINC000027627896 561873346 /nfs/dbraw/zinc/87/33/46/561873346.db2.gz JRNVDAGVTHLNLN-UHFFFAOYSA-N 3 1 574.169 5.812 1 0 KKAFMP [NH3+]CCC[NH+](Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000027706266 561878874 /nfs/dbraw/zinc/87/88/74/561878874.db2.gz GPUVKSUKPVYEKQ-UHFFFAOYSA-N 2 1 678.873 9.354 1 0 KKAFMP CC[N@H+]1CC[C@@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027861004 561887014 /nfs/dbraw/zinc/88/70/14/561887014.db2.gz PVLWRZWADLWWLL-GDLZYMKVSA-N 2 1 526.746 7.107 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028117772 561904034 /nfs/dbraw/zinc/90/40/34/561904034.db2.gz OYAAORMDJYHTDT-HXUWFJFHSA-N 2 1 639.512 8.277 1 0 KKAFMP C[C@]12CC[C@@H](NC(=O)CC[NH+]3CCc4ccccc4C3)C[C@@]1(c1cccc(O)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000028530721 561934847 /nfs/dbraw/zinc/93/48/47/561934847.db2.gz NNPWUCZEYRNZSA-KUAYXKFLSA-N 2 1 565.802 6.092 1 0 KKAFMP C[C@]12CC[C@@H](NC(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@@]1(c1cccc(O)c1)CC[NH+](CCCc1ccccc1)C2 ZINC000028530721 561934848 /nfs/dbraw/zinc/93/48/48/561934848.db2.gz NNPWUCZEYRNZSA-KUAYXKFLSA-N 2 1 565.802 6.092 1 0 KKAFMP C[C@]12CC[C@@H](NC(=O)CC[N@H+]3CCc4ccccc4C3)C[C@@]1(c1cccc(O)c1)CC[NH+](CCCc1ccccc1)C2 ZINC000028530721 561934849 /nfs/dbraw/zinc/93/48/49/561934849.db2.gz NNPWUCZEYRNZSA-KUAYXKFLSA-N 2 1 565.802 6.092 1 0 KKAFMP O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCCCC1 ZINC000028570005 561938448 /nfs/dbraw/zinc/93/84/48/561938448.db2.gz KCDRUJOXDKLRND-WUFINQPMSA-N 2 1 520.117 6.732 1 0 KKAFMP COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818157 561965258 /nfs/dbraw/zinc/96/52/58/561965258.db2.gz WLVVWVWAWIFTAL-PMERELPUSA-N 2 1 539.642 5.882 1 0 KKAFMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889973 561978133 /nfs/dbraw/zinc/97/81/33/561978133.db2.gz ZEVOVEIYFPOJLM-YGZVCBRSSA-N 2 1 563.117 6.402 1 0 KKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cn(C(=O)N(C)C)c5ccc(Cl)cc45)C3)[nH+]c2c1 ZINC000028951119 561981465 /nfs/dbraw/zinc/98/14/65/561981465.db2.gz LTQVGGUTDFGRBW-VXKWHMMOSA-N 2 1 520.077 6.203 1 0 KKAFMP CC[N@@H+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954028 561982955 /nfs/dbraw/zinc/98/29/55/561982955.db2.gz YMWKOQNTBFPSFE-JSOSNVBQSA-N 2 1 566.234 5.528 1 0 KKAFMP CC[NH+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954028 561982958 /nfs/dbraw/zinc/98/29/58/561982958.db2.gz YMWKOQNTBFPSFE-JSOSNVBQSA-N 2 1 566.234 5.528 1 0 KKAFMP CC[NH+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954028 561982959 /nfs/dbraw/zinc/98/29/59/561982959.db2.gz YMWKOQNTBFPSFE-JSOSNVBQSA-N 2 1 566.234 5.528 1 0 KKAFMP CC(C)C[C@H](NC(=O)C[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960117 561983928 /nfs/dbraw/zinc/98/39/28/561983928.db2.gz QCTVDNMXPAHHCW-JBOQNHBVSA-N 2 1 650.230 5.896 1 0 KKAFMP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038873 561989488 /nfs/dbraw/zinc/98/94/88/561989488.db2.gz HIYADFAZLGBXHA-UHFFFAOYSA-N 2 1 563.879 7.337 1 0 KKAFMP CN(C[C@H](CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334576 562014204 /nfs/dbraw/zinc/01/42/04/562014204.db2.gz JVIZOQMXVALTOM-SANMLTNESA-N 2 1 536.547 6.376 1 0 KKAFMP O=C(CCCCCCCCCCC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029408332 562021216 /nfs/dbraw/zinc/02/12/16/562021216.db2.gz ZTBDUEBTWDKVEU-UHFFFAOYSA-N 2 1 717.830 9.632 1 0 KKAFMP CC[C@H](C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285467 562054261 /nfs/dbraw/zinc/05/42/61/562054261.db2.gz RUOYYZYZPAEQIU-BATDWUPUSA-N 2 1 573.531 6.318 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351651 562058762 /nfs/dbraw/zinc/05/87/62/562058762.db2.gz CUWOXHKJMDGMKB-XIFFEERXSA-N 2 1 630.582 8.872 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351651 562058764 /nfs/dbraw/zinc/05/87/64/562058764.db2.gz CUWOXHKJMDGMKB-XIFFEERXSA-N 2 1 630.582 8.872 1 0 KKAFMP COc1ccccc1CCN(C(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000040587809 562078430 /nfs/dbraw/zinc/07/84/30/562078430.db2.gz DASUNKDHPZBVDL-XZWHSSHBSA-N 2 1 511.710 5.430 1 0 KKAFMP CC[NH+](CCCCCC(=O)N1CCN(C(=O)CCCCC[N@H+](CC)Cc2ccccc2OC)CC1)Cc1ccccc1OC ZINC000042805295 562089032 /nfs/dbraw/zinc/08/90/32/562089032.db2.gz OBHYIKJNEIZSIH-UHFFFAOYSA-N 2 1 608.868 5.839 1 0 KKAFMP [NH2+]=C(NC1CC1)c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC7CC7)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044351295 562654563 /nfs/dbraw/zinc/65/45/63/562654563.db2.gz GNDZZIGATWJLMT-UHFFFAOYSA-N 2 1 578.724 6.713 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc4c(c3)Sc3ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc3C4)nc2c1 ZINC000044352479 562655160 /nfs/dbraw/zinc/65/51/60/562655160.db2.gz XHVKFCBGQHZXIM-UHFFFAOYSA-N 2 1 598.780 7.475 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc4c(c3)Cc3ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc3S4)nc2c1 ZINC000044352479 562655161 /nfs/dbraw/zinc/65/51/61/562655161.db2.gz XHVKFCBGQHZXIM-UHFFFAOYSA-N 2 1 598.780 7.475 1 0 KKAFMP C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000044359473 562655478 /nfs/dbraw/zinc/65/54/78/562655478.db2.gz OIQCCSDAEMDIQV-IZZNHLLZSA-N 2 1 636.808 6.105 1 0 KKAFMP C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1 ZINC000044359473 562655479 /nfs/dbraw/zinc/65/54/79/562655479.db2.gz OIQCCSDAEMDIQV-IZZNHLLZSA-N 2 1 636.808 6.105 1 0 KKAFMP CC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044430684 562657594 /nfs/dbraw/zinc/65/75/94/562657594.db2.gz SZEZVGVHEGRAQG-UHFFFAOYSA-N 2 1 537.535 5.833 1 0 KKAFMP Cc1cc(NC(=O)CCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C(C)C)CC1 ZINC000045167265 562658056 /nfs/dbraw/zinc/65/80/56/562658056.db2.gz JJFXQDXICLGPCA-UHFFFAOYSA-N 2 1 532.560 5.373 1 0 KKAFMP O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192115 562658646 /nfs/dbraw/zinc/65/86/46/562658646.db2.gz JGFNXQHSNHTTLG-NDEPHWFRSA-N 2 1 528.697 6.130 1 0 KKAFMP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658864 /nfs/dbraw/zinc/65/88/64/562658864.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 2 1 503.691 5.557 1 0 KKAFMP CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5cccnc5)cc4)cc[nH+]c3c2)c1 ZINC000045196152 562658955 /nfs/dbraw/zinc/65/89/55/562658955.db2.gz NVAFNYHXVVAUGQ-UHFFFAOYSA-N 2 1 524.646 5.967 1 0 KKAFMP O=S(=O)(Nc1ccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228389 562659521 /nfs/dbraw/zinc/65/95/21/562659521.db2.gz WSTUJTFZZOMUPK-PMERELPUSA-N 2 1 517.739 6.037 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3cccc(C[NH2+]C4CCCC4)c3)c2)C(=O)CCC2CCCC2)CC1 ZINC000045302758 562660763 /nfs/dbraw/zinc/66/07/63/562660763.db2.gz SUVWIDRLLCQUHV-UHFFFAOYSA-N 2 1 544.828 6.322 1 0 KKAFMP O=C(c1ccccc1)N1COC[C@@](CC[NH+]2CCC([NH+]3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045323667 562661160 /nfs/dbraw/zinc/66/11/60/562661160.db2.gz RCOHBGZMIZEYKM-NDEPHWFRSA-N 2 1 516.513 5.312 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605071 562665301 /nfs/dbraw/zinc/66/53/01/562665301.db2.gz GMXIBMPBORHLKP-UHFFFAOYSA-N 2 1 610.843 6.309 1 0 KKAFMP CCCCCc1cc(OC(=O)CCC[NH+](CC)CC)c2c(c1)OC(C)(C)C=C2C1=CC[N@@H+](Cc2ccc3ccccc3c2)CC1 ZINC000049605219 562665497 /nfs/dbraw/zinc/66/54/97/562665497.db2.gz OSJSMNQYKMBUOC-UHFFFAOYSA-N 2 1 608.867 8.987 1 0 KKAFMP O=S(=O)(Nc1cc2c(cc1OCCC[NH+]1CCCCC1)CC[NH2+]CC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049626832 562667356 /nfs/dbraw/zinc/66/73/56/562667356.db2.gz DLMKLNOYWCVSFX-UHFFFAOYSA-N 2 1 554.156 5.751 1 0 KKAFMP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CCC[N@@H+](C)CC7)c6cc54)cccc23)cc(C)n1 ZINC000049722697 562672382 /nfs/dbraw/zinc/67/23/82/562672382.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 2 1 541.699 6.412 1 0 KKAFMP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CCC[N@H+](C)CC7)c6cc54)cccc23)cc(C)n1 ZINC000049722697 562672383 /nfs/dbraw/zinc/67/23/83/562672383.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 2 1 541.699 6.412 1 0 KKAFMP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000049722720 562672440 /nfs/dbraw/zinc/67/24/40/562672440.db2.gz BQIVPPWUXSHORF-SFZOGYSGSA-N 2 1 610.843 5.579 1 0 KKAFMP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@@H+]5[C@H]23)C4)N1 ZINC000049722720 562672441 /nfs/dbraw/zinc/67/24/41/562672441.db2.gz BQIVPPWUXSHORF-SFZOGYSGSA-N 2 1 610.843 5.579 1 0 KKAFMP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@H+]5[C@H]23)C4)N1 ZINC000049722720 562672442 /nfs/dbraw/zinc/67/24/42/562672442.db2.gz BQIVPPWUXSHORF-SFZOGYSGSA-N 2 1 610.843 5.579 1 0 KKAFMP CCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761968 562676262 /nfs/dbraw/zinc/67/62/62/562676262.db2.gz XSZPOOITCBBDOF-MYVDGKSCSA-N 2 1 661.935 8.375 1 0 KKAFMP CCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761968 562676263 /nfs/dbraw/zinc/67/62/63/562676263.db2.gz XSZPOOITCBBDOF-MYVDGKSCSA-N 2 1 661.935 8.375 1 0 KKAFMP CCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049761968 562676264 /nfs/dbraw/zinc/67/62/64/562676264.db2.gz XSZPOOITCBBDOF-MYVDGKSCSA-N 2 1 661.935 8.375 1 0 KKAFMP Oc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771181 562678020 /nfs/dbraw/zinc/67/80/20/562678020.db2.gz RBDJNSDRHVXHEQ-NCZZEDDZSA-N 3 1 671.974 5.756 1 0 KKAFMP Oc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771181 562678021 /nfs/dbraw/zinc/67/80/21/562678021.db2.gz RBDJNSDRHVXHEQ-NCZZEDDZSA-N 3 1 671.974 5.756 1 0 KKAFMP Oc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771181 562678022 /nfs/dbraw/zinc/67/80/22/562678022.db2.gz RBDJNSDRHVXHEQ-NCZZEDDZSA-N 3 1 671.974 5.756 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@@](C[NH2+]CC2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049777141 562679701 /nfs/dbraw/zinc/67/97/01/562679701.db2.gz CKXNLQJVGHCHFU-BHVANESWSA-N 2 1 611.868 6.348 1 0 KKAFMP c1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777727 562680474 /nfs/dbraw/zinc/68/04/74/562680474.db2.gz BOAPHGYLZRIUAU-QHQGJXSCSA-N 3 1 655.975 6.050 1 0 KKAFMP c1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777727 562680475 /nfs/dbraw/zinc/68/04/75/562680475.db2.gz BOAPHGYLZRIUAU-QHQGJXSCSA-N 3 1 655.975 6.050 1 0 KKAFMP c1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777727 562680476 /nfs/dbraw/zinc/68/04/76/562680476.db2.gz BOAPHGYLZRIUAU-QHQGJXSCSA-N 3 1 655.975 6.050 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780763 562682232 /nfs/dbraw/zinc/68/22/32/562682232.db2.gz POQQQMBUIRUZSH-BHVANESWSA-N 2 1 609.852 5.773 1 0 KKAFMP Cc1ccc(C[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793395 562684775 /nfs/dbraw/zinc/68/47/75/562684775.db2.gz YCPUQJWPWMUTCY-XQGRUXGKSA-N 3 1 655.975 6.316 1 0 KKAFMP Cc1ccc(C[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793395 562684776 /nfs/dbraw/zinc/68/47/76/562684776.db2.gz YCPUQJWPWMUTCY-XQGRUXGKSA-N 3 1 655.975 6.316 1 0 KKAFMP Cc1ccc(C[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793395 562684777 /nfs/dbraw/zinc/68/47/77/562684777.db2.gz YCPUQJWPWMUTCY-XQGRUXGKSA-N 3 1 655.975 6.316 1 0 KKAFMP Fc1cccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793511 562684922 /nfs/dbraw/zinc/68/49/22/562684922.db2.gz GNBNJHANHQQZGE-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793511 562684923 /nfs/dbraw/zinc/68/49/23/562684923.db2.gz GNBNJHANHQQZGE-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP Fc1cccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793511 562684924 /nfs/dbraw/zinc/68/49/24/562684924.db2.gz GNBNJHANHQQZGE-ITMZJIMRSA-N 3 1 673.965 6.189 1 0 KKAFMP Clc1ccc(CC[N@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685856 /nfs/dbraw/zinc/68/58/56/562685856.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685857 /nfs/dbraw/zinc/68/58/57/562685857.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CC[NH+]2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685858 /nfs/dbraw/zinc/68/58/58/562685858.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 3 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685859 /nfs/dbraw/zinc/68/58/59/562685859.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 2 1 724.865 7.357 1 0 KKAFMP Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685860 /nfs/dbraw/zinc/68/58/60/562685860.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 2 1 724.865 7.357 1 0 KKAFMP O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@@]1(c3ccc(Cl)c(Cl)c3)CC[N@@H+](Cc3ccco3)C1)CC2 ZINC000049881469 562690802 /nfs/dbraw/zinc/69/08/02/562690802.db2.gz JEFCMVCLMZSGMS-SSEXGKCCSA-N 2 1 567.561 5.939 1 0 KKAFMP COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2)[NH+](C)CC5)OCO4 ZINC000049888703 562691409 /nfs/dbraw/zinc/69/14/09/562691409.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 2 1 592.692 6.571 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2)[N@H+](C)CC5)OCO4 ZINC000049888703 562691410 /nfs/dbraw/zinc/69/14/10/562691410.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 2 1 592.692 6.571 1 0 biogenic,in-vitro KKAFMP COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2)[N@@H+](C)CC5)OCO4 ZINC000049888703 562691411 /nfs/dbraw/zinc/69/14/11/562691411.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 2 1 592.692 6.571 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@H+](C)CC4)CC[NH+]1C ZINC000049898771 562692830 /nfs/dbraw/zinc/69/28/30/562692830.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 2 1 668.787 6.877 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@@H+](C)CC4)CC[NH+]1C ZINC000049898771 562692831 /nfs/dbraw/zinc/69/28/31/562692831.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 2 1 668.787 6.877 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC4)CC[N@H+]1C ZINC000049898771 562692832 /nfs/dbraw/zinc/69/28/32/562692832.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 2 1 668.787 6.877 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[NH+](C)CC4)CC[N@@H+]1C ZINC000049898771 562692833 /nfs/dbraw/zinc/69/28/33/562692833.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 2 1 668.787 6.877 1 0 KKAFMP [NH3+]CCc1c2c(ccc([O-])c2[C@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899641 562693275 /nfs/dbraw/zinc/69/32/75/562693275.db2.gz KJQYELPBSPDCOH-RTWAWAEBSA-N 2 1 650.419 6.044 1 0 KKAFMP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)c2c1 ZINC000049917879 562694064 /nfs/dbraw/zinc/69/40/64/562694064.db2.gz DYYLJIKLFBCHTO-ADZFYQLHSA-N 2 1 709.891 6.752 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917945 562694172 /nfs/dbraw/zinc/69/41/72/562694172.db2.gz AIXLHTIELCJLJP-UHFFFAOYSA-N 2 1 610.843 6.309 1 0 KKAFMP CC[C@@H]1C[N@H+]2CC[C@]34c5ccccc5N5C[C@@]6(CC(=C53)[C@H]1C[C@H]24)C1=Nc2ccccc2[C@@]12CC[NH+]1C[C@@H](CC)[C@@H]6C[C@H]12 ZINC000056719875 562697848 /nfs/dbraw/zinc/69/78/48/562697848.db2.gz NIWAAJOAUHCXJR-OIKIWXJDSA-N 2 1 556.798 6.280 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5C[C@@]6(CC(=C53)[C@H]1C[C@H]24)C1=Nc2ccccc2[C@@]12CC[N@@H+]1C[C@@H](CC)[C@@H]6C[C@H]12 ZINC000056719875 562697849 /nfs/dbraw/zinc/69/78/49/562697849.db2.gz NIWAAJOAUHCXJR-OIKIWXJDSA-N 2 1 556.798 6.280 1 0 KKAFMP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N5C[C@@]6(CC(=C53)[C@H]1C[C@H]24)C1=Nc2ccccc2[C@@]12CC[N@H+]1C[C@@H](CC)[C@@H]6C[C@H]12 ZINC000056719875 562697850 /nfs/dbraw/zinc/69/78/50/562697850.db2.gz NIWAAJOAUHCXJR-OIKIWXJDSA-N 2 1 556.798 6.280 1 0 KKAFMP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058562995 562699327 /nfs/dbraw/zinc/69/93/27/562699327.db2.gz BVWCYHRUYZIHDM-AFQHYTHHSA-N 3 1 729.858 7.626 1 0 KKAFMP 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)[NH+]1CCCC1 ZINC000058581575 562699829 /nfs/dbraw/zinc/69/98/29/562699829.db2.gz GPRDPRZSQHKVGO-FBXLTAPESA-N 2 1 642.231 6.585 1 0 KKAFMP Clc1ccc([C@H](c2ccccc2)N2CCC[N@H+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064491757 562705966 /nfs/dbraw/zinc/70/59/66/562705966.db2.gz RTXSHWCVMKPGAX-PMERELPUSA-N 2 1 519.520 7.141 1 0 KKAFMP Clc1ccc([C@H](c2ccccc2)N2CCC[N@@H+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064491757 562705967 /nfs/dbraw/zinc/70/59/67/562705967.db2.gz RTXSHWCVMKPGAX-PMERELPUSA-N 2 1 519.520 7.141 1 0 KKAFMP Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](C[NH3+])c3ccc(-c4cc[nH+]c(N)c4)cc3C)cc2)c(Cl)c1 ZINC000064549354 562708065 /nfs/dbraw/zinc/70/80/65/562708065.db2.gz XHLCQIDTHMOIJG-DEOSSOPVSA-N 2 1 536.503 6.997 1 0 KKAFMP CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000066097213 562710775 /nfs/dbraw/zinc/71/07/75/562710775.db2.gz AKTDKZICQYOPAE-VVFBEHOQSA-N 2 1 589.583 5.069 1 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148434 562713620 /nfs/dbraw/zinc/71/36/20/562713620.db2.gz CQCAFCHBUMFWEZ-PQCPUKMBSA-N 3 1 606.731 6.037 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@@H+](CCCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000068087726 562715739 /nfs/dbraw/zinc/71/57/39/562715739.db2.gz QLOCEFPHCAKSLE-DHUJRADRSA-N 2 1 655.327 8.336 1 0 KKAFMP Nc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281522 562716704 /nfs/dbraw/zinc/71/67/04/562716704.db2.gz HHXBZMLYKPYBGU-ULJKERAFSA-N 2 1 533.720 6.051 1 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@@H+](CCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071317208 562718151 /nfs/dbraw/zinc/71/81/51/562718151.db2.gz REXVRCXDIWIKGL-UMSFTDKQSA-N 2 1 641.300 7.945 1 0 KKAFMP C[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072127691 562725792 /nfs/dbraw/zinc/72/57/92/562725792.db2.gz FVMRTXRMMXTDPD-NKIORRDJSA-N 3 1 646.711 5.794 3 0 KKAFMP CC(C)[C@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072127680 562725855 /nfs/dbraw/zinc/72/58/55/562725855.db2.gz OFNPIDSWPNQWQB-IEFDIXSJSA-N 3 1 674.765 6.430 3 0 KKAFMP C[NH+](C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)[nH+]c(NCc2ccc(C(F)(F)F)cc2)n1 ZINC000073199290 562735998 /nfs/dbraw/zinc/73/59/98/562735998.db2.gz XGJLXNSFHIIVQQ-UHFFFAOYSA-N 2 1 527.517 5.497 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000073258753 562737129 /nfs/dbraw/zinc/73/71/29/562737129.db2.gz ODCYIKWOTVSPKB-LOYHVIPDSA-N 2 1 622.762 6.743 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@H+]1C ZINC000073258753 562737130 /nfs/dbraw/zinc/73/71/30/562737130.db2.gz ODCYIKWOTVSPKB-LOYHVIPDSA-N 2 1 622.762 6.743 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C2)CC[N@@H+]1C ZINC000073258753 562737131 /nfs/dbraw/zinc/73/71/31/562737131.db2.gz ODCYIKWOTVSPKB-LOYHVIPDSA-N 2 1 622.762 6.743 1 0 KKAFMP CN1CC[NH+](CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150146 562739750 /nfs/dbraw/zinc/73/97/50/562739750.db2.gz NWCDXZDSLNCFBZ-WYJFYEORSA-N 2 1 515.742 5.142 1 0 KKAFMP Brc1cnc2[nH]c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1NCCC1CC[NH2+]CC1 ZINC000084597045 562743938 /nfs/dbraw/zinc/74/39/38/562743938.db2.gz PBIZHXWVUCRCKS-UHFFFAOYSA-N 2 1 527.511 5.054 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)OCO5)[NH+](C)CC4 ZINC000084653887 562747038 /nfs/dbraw/zinc/74/70/38/562747038.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 2 1 636.745 6.883 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)OCO5)[NH+](C)CC4 ZINC000084653887 562747039 /nfs/dbraw/zinc/74/70/39/562747039.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 2 1 636.745 6.883 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)OCO5)[N@H+](C)CC4 ZINC000084653887 562747040 /nfs/dbraw/zinc/74/70/40/562747040.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 2 1 636.745 6.883 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)OCO5)[N@@H+](C)CC4 ZINC000084653887 562747041 /nfs/dbraw/zinc/74/70/41/562747041.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 2 1 636.745 6.883 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084757352 562752391 /nfs/dbraw/zinc/75/23/91/562752391.db2.gz CCIXUQAEAWQXGP-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758697 562752699 /nfs/dbraw/zinc/75/26/99/562752699.db2.gz IAADTHQACMECFU-HHHXNRCGSA-N 2 1 590.843 9.069 1 0 KKAFMP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536516 562753896 /nfs/dbraw/zinc/75/38/96/562753896.db2.gz RWORRXPCSGCYTM-ZRKBJOGQSA-N 2 1 774.918 7.129 1 0 KKAFMP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536516 562753897 /nfs/dbraw/zinc/75/38/97/562753897.db2.gz RWORRXPCSGCYTM-ZRKBJOGQSA-N 2 1 774.918 7.129 1 0 KKAFMP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536516 562753898 /nfs/dbraw/zinc/75/38/98/562753898.db2.gz RWORRXPCSGCYTM-ZRKBJOGQSA-N 2 1 774.918 7.129 1 0 KKAFMP Clc1ccc2c(c1)nccc2NCCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCCNc4cc[nH+]c5cc(Cl)ccc45)cc3)s2)cc1 ZINC000095551702 562760384 /nfs/dbraw/zinc/76/03/84/562760384.db2.gz YADTUKIPRCONOT-UHFFFAOYSA-N 3 1 759.851 11.449 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095578138 562771190 /nfs/dbraw/zinc/77/11/90/562771190.db2.gz LWHWPAGNHWEOMG-IXQDPOQLSA-N 2 1 520.758 5.729 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cc(C)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579314 562771536 /nfs/dbraw/zinc/77/15/36/562771536.db2.gz VCPHEFDUFVYSGM-YXRHGRAISA-N 2 1 807.001 5.105 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(C)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579314 562771537 /nfs/dbraw/zinc/77/15/37/562771537.db2.gz VCPHEFDUFVYSGM-YXRHGRAISA-N 2 1 807.001 5.105 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cc(C)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579314 562771538 /nfs/dbraw/zinc/77/15/38/562771538.db2.gz VCPHEFDUFVYSGM-YXRHGRAISA-N 2 1 807.001 5.105 1 0 KKAFMP Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)[C@@H]4Oc6c7c(ccc6O)C[C@H]6[N@@H+](CC8CC8)CC[C@]74[C@@]6(O)C5)C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314 ZINC000095607710 562783047 /nfs/dbraw/zinc/78/30/47/562783047.db2.gz YFEFMSMEIWBCRN-CLLGMEHYSA-N 2 1 751.924 5.346 1 0 KKAFMP CC(C)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3cn(-c4cc[nH+]cc4)nn3)cccc2C1=O ZINC000095872122 562789968 /nfs/dbraw/zinc/78/99/68/562789968.db2.gz UQZBRCMHXQUDCW-UVMFRMCBSA-N 2 1 602.739 6.501 1 0 KKAFMP CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3cn(-c4cc[nH+]cc4)nn3)cccc2C1=O ZINC000095872122 562789969 /nfs/dbraw/zinc/78/99/69/562789969.db2.gz UQZBRCMHXQUDCW-UVMFRMCBSA-N 2 1 602.739 6.501 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncco2)CC1 ZINC000101193457 562809820 /nfs/dbraw/zinc/80/98/20/562809820.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 2 1 509.698 6.125 1 0 KKAFMP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncco2)CC1 ZINC000101193457 562809821 /nfs/dbraw/zinc/80/98/21/562809821.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 2 1 509.698 6.125 1 0 KKAFMP C[N@@H+](CCCCCc1ccccc1)CCCCN1CC[NH+](CCCCCCCCCOc2ccccc2)CC1 ZINC000103184419 562815325 /nfs/dbraw/zinc/81/53/25/562815325.db2.gz HMRPIZNSUUJOAQ-UHFFFAOYSA-N 2 1 535.861 7.539 1 0 KKAFMP C[N@H+](CCCCCc1ccccc1)CCCC[NH+]1CCN(CCCCCCCCCOc2ccccc2)CC1 ZINC000103184419 562815326 /nfs/dbraw/zinc/81/53/26/562815326.db2.gz HMRPIZNSUUJOAQ-UHFFFAOYSA-N 2 1 535.861 7.539 1 0 KKAFMP C[N@@H+](CCCCCc1ccccc1)CCCC[NH+]1CCN(CCCCCCCCCOc2ccccc2)CC1 ZINC000103184419 562815327 /nfs/dbraw/zinc/81/53/27/562815327.db2.gz HMRPIZNSUUJOAQ-UHFFFAOYSA-N 2 1 535.861 7.539 1 0 KKAFMP COc1ccccc1N1CC[NH+](Cc2ccc3c(c2)CO[C@@]3(CCC[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000103245925 562819806 /nfs/dbraw/zinc/81/98/06/562819806.db2.gz IIJNYIWCIATESA-HKBQPEDESA-N 2 1 503.662 5.272 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(F)c1O ZINC000114035002 562826981 /nfs/dbraw/zinc/82/69/81/562826981.db2.gz RIECTTVLASNINJ-UHFFFAOYSA-N 2 1 503.618 5.660 1 0 KKAFMP CCOc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000114039046 562827319 /nfs/dbraw/zinc/82/73/19/562827319.db2.gz WMUYOVIGRMDEOX-UHFFFAOYSA-N 2 1 508.062 6.030 1 0 KKAFMP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162168274 562849233 /nfs/dbraw/zinc/84/92/33/562849233.db2.gz AUVBVPKFTGJIST-AANMMBORSA-N 2 1 805.956 8.848 1 0 KKAFMP CC(C)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 ZINC000164796433 562849725 /nfs/dbraw/zinc/84/97/25/562849725.db2.gz UYHLRILAHNMBPG-XSXVMKGCSA-N 2 1 675.673 6.227 1 0 KKAFMP 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+]CCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302333 562853072 /nfs/dbraw/zinc/85/30/72/562853072.db2.gz LNHVFSACUBPBGF-HFDNLRPQSA-N 2 1 682.346 7.409 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1ccnc1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327034 562857991 /nfs/dbraw/zinc/85/79/91/562857991.db2.gz RZNLNFCKHCRFDR-UHFFFAOYSA-N 2 1 585.631 5.144 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1ccnc1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327034 562857992 /nfs/dbraw/zinc/85/79/92/562857992.db2.gz RZNLNFCKHCRFDR-UHFFFAOYSA-N 2 1 585.631 5.144 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cnc2cc(C)c(C)cc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327049 562858048 /nfs/dbraw/zinc/85/80/48/562858048.db2.gz ROULIUKQCIWCET-UHFFFAOYSA-N 2 1 663.745 6.914 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cnc2cc(C)c(C)cc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327049 562858049 /nfs/dbraw/zinc/85/80/49/562858049.db2.gz ROULIUKQCIWCET-UHFFFAOYSA-N 2 1 663.745 6.914 1 0 KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716360 562871272 /nfs/dbraw/zinc/87/12/72/562871272.db2.gz KDJCGYBGRLMNCE-ZSGCPLOASA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716360 562871273 /nfs/dbraw/zinc/87/12/73/562871273.db2.gz KDJCGYBGRLMNCE-ZSGCPLOASA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCC[NH+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716360 562871274 /nfs/dbraw/zinc/87/12/74/562871274.db2.gz KDJCGYBGRLMNCE-ZSGCPLOASA-N 2 1 670.891 6.449 1 0 in-vivo KKAFMP CC[C@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000198226848 562872657 /nfs/dbraw/zinc/87/26/57/562872657.db2.gz JOVYDFKTLBYDPY-HALLIMPHSA-N 3 1 633.929 5.904 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC([C@@H](C)[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000203798112 562874127 /nfs/dbraw/zinc/87/41/27/562874127.db2.gz GOXWPHHXBRESDW-QGZVFWFLSA-N 2 1 508.062 6.029 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(C5CC[NH2+]CC5)CC4)c3c2)cc(Cl)c1O ZINC000203989921 562874339 /nfs/dbraw/zinc/87/43/39/562874339.db2.gz NNCSPKZNJGSGMK-UHFFFAOYSA-N 2 1 520.073 6.078 1 0 KKAFMP Cc1cc(C[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1cc[nH+]cc1 ZINC000220160552 562878365 /nfs/dbraw/zinc/87/83/65/562878365.db2.gz JJLJHOVXFSLHBA-UHFFFAOYSA-N 2 1 600.804 7.500 1 0 KKAFMP Cc1cc(C[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1cc[nH+]cc1 ZINC000220160552 562878366 /nfs/dbraw/zinc/87/83/66/562878366.db2.gz JJLJHOVXFSLHBA-UHFFFAOYSA-N 2 1 600.804 7.500 1 0 KKAFMP [NH3+][C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)c4ccccc34)n2)CC1 ZINC000299841293 562888870 /nfs/dbraw/zinc/88/88/70/562888870.db2.gz ZADRUEBKBUVLOM-MEMLXQNLSA-N 2 1 542.647 6.786 1 0 KKAFMP CC[NH+](CC)CCCNc1nccc(-c2ccc(C[NH2+]CCNc3cc[nH+]c4cc(Cl)ccc34)s2)n1 ZINC000299854450 562891371 /nfs/dbraw/zinc/89/13/71/562891371.db2.gz ZDRTZXZCPPNZSP-UHFFFAOYSA-N 3 1 524.138 5.752 1 0 KKAFMP CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4[nH+]ccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473092194 562897710 /nfs/dbraw/zinc/89/77/10/562897710.db2.gz RVCDCPBPUZRFKU-UHFFFAOYSA-N 2 1 631.173 6.765 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179743 562903471 /nfs/dbraw/zinc/90/34/71/562903471.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 2 1 538.088 5.321 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179743 562903472 /nfs/dbraw/zinc/90/34/72/562903472.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 2 1 538.088 5.321 1 0 KKAFMP COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[NH+]4C)cc3)c1)[N@@H+](C)CC2 ZINC000044351713 565112447 /nfs/dbraw/zinc/11/24/47/565112447.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 2 1 610.751 6.459 1 0 biogenic,in-vivo KKAFMP COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[N@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044351713 565112449 /nfs/dbraw/zinc/11/24/49/565112449.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 2 1 610.751 6.459 1 0 biogenic,in-vivo KKAFMP COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[N@@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044351713 565112457 /nfs/dbraw/zinc/11/24/57/565112457.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 2 1 610.751 6.459 1 0 biogenic,in-vivo KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cccnc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987150 561692980 /nfs/dbraw/zinc/69/29/80/561692980.db2.gz RTIVWDSFWBAUKZ-YTTGMZPUSA-N 2 1 563.573 7.248 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cccnc3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987150 561692981 /nfs/dbraw/zinc/69/29/81/561692981.db2.gz RTIVWDSFWBAUKZ-YTTGMZPUSA-N 2 1 563.573 7.248 1 0 KKAFMP C[N@@H+](CCCCSc1c2ccccc2nc2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013612218 561722055 /nfs/dbraw/zinc/72/20/55/561722055.db2.gz MWTLPACFPNMFHP-UHFFFAOYSA-N 2 1 538.805 7.847 1 0 KKAFMP C[N@@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675651 561724076 /nfs/dbraw/zinc/72/40/76/561724076.db2.gz ZNDUXFVNQAAWFO-UHFFFAOYSA-N 2 1 532.132 6.121 1 0 KKAFMP O=S(=O)(Nc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1)c1ccccc1 ZINC000026570209 561798043 /nfs/dbraw/zinc/79/80/43/561798043.db2.gz FZHNZLXDYSXLHB-UHFFFAOYSA-N 2 1 681.924 7.909 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000026746653 561818966 /nfs/dbraw/zinc/81/89/66/561818966.db2.gz VZJXMGYNIYBWAK-NPAJZZOTSA-N 2 1 514.626 5.186 1 0 KKAFMP O[C@H](C[NH2+]CCCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc21 ZINC000027090027 561837041 /nfs/dbraw/zinc/83/70/41/561837041.db2.gz UHJHHXUEKLRVRI-MPGAWZFDSA-N 2 1 617.762 6.110 1 0 KKAFMP O=C(C[NH+]1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCCC[C@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183551 561842125 /nfs/dbraw/zinc/84/21/25/561842125.db2.gz AKANNFYFILQRNV-HNRBIFIRSA-N 2 1 664.986 8.433 1 0 KKAFMP O=C(C[NH+]1CCCC[C@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCCC[C@@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183551 561842127 /nfs/dbraw/zinc/84/21/27/561842127.db2.gz AKANNFYFILQRNV-HNRBIFIRSA-N 2 1 664.986 8.433 1 0 KKAFMP O=C(C[NH+]1CCCC[C@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCCC[C@@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183551 561842129 /nfs/dbraw/zinc/84/21/29/561842129.db2.gz AKANNFYFILQRNV-HNRBIFIRSA-N 2 1 664.986 8.433 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4cccc5ccccc54)Cc4cccc5ccccc54)CC3)cc[nH+]c2c1 ZINC000027630345 561873689 /nfs/dbraw/zinc/87/36/89/561873689.db2.gz VYUCGOFWANIWJD-UHFFFAOYSA-N 3 1 642.291 8.707 1 0 KKAFMP CC(C)(C)C[NH+](CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC(C)(C)C ZINC000027642546 561875470 /nfs/dbraw/zinc/87/54/70/561875470.db2.gz DXIDURYKJQLUDW-UHFFFAOYSA-N 3 1 502.191 6.092 1 0 KKAFMP C[N@H+]1CCCC[C@H]1COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027868337 561887965 /nfs/dbraw/zinc/88/79/65/561887965.db2.gz DIXISCIHDAFNGJ-NDEPHWFRSA-N 2 1 540.773 7.497 1 0 KKAFMP O=C(NC[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000028113404 561903363 /nfs/dbraw/zinc/90/33/63/561903363.db2.gz JLGKUPJDEGSXJD-NRFANRHFSA-N 2 1 571.515 7.258 1 0 KKAFMP CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(-c2ccccc2)cc1 ZINC000028137560 561906983 /nfs/dbraw/zinc/90/69/83/561906983.db2.gz QOTIFUHLTVLZQH-UHFFFAOYSA-N 2 1 545.815 7.494 1 0 KKAFMP Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCOCC1 ZINC000028224548 561907789 /nfs/dbraw/zinc/90/77/89/561907789.db2.gz LYONRTZIDURQCN-UHFFFAOYSA-N 2 1 542.745 6.480 1 0 KKAFMP CC(C)COCCC[NH2+][C@H](C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028345834 561914922 /nfs/dbraw/zinc/91/49/22/561914922.db2.gz KEELGABBGYLGJD-SECNVWGUSA-N 2 1 660.303 5.144 1 0 KKAFMP CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000028528406 561933036 /nfs/dbraw/zinc/93/30/36/561933036.db2.gz AYCGNXRJKLUATE-PMERELPUSA-N 2 1 531.785 5.919 1 0 KKAFMP COc1ccc2c(c1)CC[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@H+]3CCCc1ccccc1)C2 ZINC000028570585 561938936 /nfs/dbraw/zinc/93/89/36/561938936.db2.gz XHEDQUWNGKQHNB-OLQUXKRTSA-N 2 1 581.801 5.709 1 0 KKAFMP CC1(F)CC[NH+]([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1 ZINC000028572081 561939726 /nfs/dbraw/zinc/93/97/26/561939726.db2.gz LQAUSOVDKYFMFH-CLJLJLNGSA-N 2 1 524.080 6.193 1 0 KKAFMP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[NH+]4CCN(C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000028650161 561945957 /nfs/dbraw/zinc/94/59/57/561945957.db2.gz MSGLJZRUHLHKNC-KXPXUPBWSA-N 2 1 598.251 6.690 1 0 KKAFMP COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-n5cc[nH+]c5C)cc4)CC3)C2=O)c1 ZINC000028704487 561948568 /nfs/dbraw/zinc/94/85/68/561948568.db2.gz GODOQGRZKLKQSO-UHFFFAOYSA-N 2 1 553.638 5.332 1 0 KKAFMP CC[NH+](CCCCCCNc1ccc(NCCCCCC[N@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952071 /nfs/dbraw/zinc/95/20/71/561952071.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 2 1 602.908 8.693 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCC[NH+](C)Cc1cccc2ccccc21 ZINC000028714109 561954672 /nfs/dbraw/zinc/95/46/72/561954672.db2.gz LRAHGMFKJZCSRN-WHMCYVJPSA-N 2 1 580.817 6.109 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCC[N@H+](C)Cc1cccc2ccccc21 ZINC000028714109 561954674 /nfs/dbraw/zinc/95/46/74/561954674.db2.gz LRAHGMFKJZCSRN-WHMCYVJPSA-N 2 1 580.817 6.109 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000028714109 561954676 /nfs/dbraw/zinc/95/46/76/561954676.db2.gz LRAHGMFKJZCSRN-WHMCYVJPSA-N 2 1 580.817 6.109 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCC[NH+](C)Cc1cccnc1 ZINC000028714101 561954713 /nfs/dbraw/zinc/95/47/13/561954713.db2.gz LADGDOYZRPTNLJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@H+](C)Cc1cccnc1 ZINC000028714101 561954714 /nfs/dbraw/zinc/95/47/14/561954714.db2.gz LADGDOYZRPTNLJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@@H+](C)Cc1cccnc1 ZINC000028714101 561954715 /nfs/dbraw/zinc/95/47/15/561954715.db2.gz LADGDOYZRPTNLJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP COc1ccccc1CCN(C(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000028823653 561968340 /nfs/dbraw/zinc/96/83/40/561968340.db2.gz DASUNKDHPZBVDL-LOYHVIPDSA-N 2 1 511.710 5.430 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824137 561968962 /nfs/dbraw/zinc/96/89/62/561968962.db2.gz UASVFNVUSHUKON-WTGSTYHVSA-N 2 1 545.171 5.869 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864232 561972793 /nfs/dbraw/zinc/97/27/93/561972793.db2.gz LGZCPDJXYFESET-MUUNZHRXSA-N 2 1 598.738 5.424 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864232 561972794 /nfs/dbraw/zinc/97/27/94/561972794.db2.gz LGZCPDJXYFESET-MUUNZHRXSA-N 2 1 598.738 5.424 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864232 561972795 /nfs/dbraw/zinc/97/27/95/561972795.db2.gz LGZCPDJXYFESET-MUUNZHRXSA-N 2 1 598.738 5.424 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864227 561972892 /nfs/dbraw/zinc/97/28/92/561972892.db2.gz NZSDKYVGCXLJBU-RUZDIDTESA-N 2 1 576.732 5.166 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@@H+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864227 561972894 /nfs/dbraw/zinc/97/28/94/561972894.db2.gz NZSDKYVGCXLJBU-RUZDIDTESA-N 2 1 576.732 5.166 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864227 561972895 /nfs/dbraw/zinc/97/28/95/561972895.db2.gz NZSDKYVGCXLJBU-RUZDIDTESA-N 2 1 576.732 5.166 1 0 KKAFMP FC(F)(F)c1ccc(OC[C@H]2CCC[NH+]2CCCCCCCCCCCCCCCC[N@@H+]2CCC[C@@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865226 561973359 /nfs/dbraw/zinc/97/33/59/561973359.db2.gz INRWUGJSBXSJNL-LQFQNGICSA-N 2 1 712.904 11.572 1 0 KKAFMP COC[C@@H](C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953884 561982575 /nfs/dbraw/zinc/98/25/75/561982575.db2.gz NTSVKAKPSQAZRL-KPNCYPGSSA-N 2 1 567.218 5.027 1 0 KKAFMP O=C([C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953909 561982607 /nfs/dbraw/zinc/98/26/07/561982607.db2.gz KHEXESSWWLGQFI-ZWXJPIIXSA-N 2 1 579.229 5.171 1 0 KKAFMP O=C([C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953878 561982655 /nfs/dbraw/zinc/98/26/55/561982655.db2.gz VZPRVDGTVZKWGG-NOCHOARKSA-N 2 1 585.236 6.193 1 0 KKAFMP COc1ccccc1C[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953962 561982774 /nfs/dbraw/zinc/98/27/74/561982774.db2.gz ICBIHFQQCZTDBA-IHLOFXLRSA-N 2 1 567.218 5.409 1 0 KKAFMP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F ZINC000028954011 561982879 /nfs/dbraw/zinc/98/28/79/561982879.db2.gz UQIQXCRYYCAMIP-WDYNHAJCSA-N 2 1 585.208 5.548 1 0 KKAFMP COc1ccc(CN(CC2([NH+]3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)OC)cc1 ZINC000028954022 561982985 /nfs/dbraw/zinc/98/29/85/561982985.db2.gz ZDZFCDPVKZIKNA-ZWXJPIIXSA-N 2 1 597.244 5.683 1 0 KKAFMP CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960143 561983936 /nfs/dbraw/zinc/98/39/36/561983936.db2.gz UDTYAJUDWQPEAI-OUEGXDDWSA-N 2 1 636.203 5.682 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@]35CC[C@H](CCC[NH+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985743 /nfs/dbraw/zinc/98/57/43/561985743.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@]35CC[C@H](CCC[N@@H+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985745 /nfs/dbraw/zinc/98/57/45/561985745.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@]35CC[C@H](CCC[N@H+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985747 /nfs/dbraw/zinc/98/57/47/561985747.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 2 1 564.774 6.416 1 0 in-vivo KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[N@H+]6CC[C@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000028970311 561985759 /nfs/dbraw/zinc/98/57/59/561985759.db2.gz BHRFYFSYVSXAIC-FZWSRNBZSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[NH+]6CC[C@H]4[C@]4(C[C@@H]7CCCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000028970311 561985760 /nfs/dbraw/zinc/98/57/60/561985760.db2.gz BHRFYFSYVSXAIC-FZWSRNBZSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[NH+]6CC[C@H]4[C@]4(C[C@@H]7CCCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000028970311 561985762 /nfs/dbraw/zinc/98/57/62/561985762.db2.gz BHRFYFSYVSXAIC-FZWSRNBZSA-N 2 1 568.806 7.009 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3CCCCCC[NH+]3[C@H]41)CCCCCCCC2 ZINC000028970332 561985819 /nfs/dbraw/zinc/98/58/19/561985819.db2.gz RLKPOAPLTKGPPH-WVKCEPFPSA-N 2 1 552.807 7.304 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3CCCCCC[N@@H+]3[C@H]41)CCCCCCCC2 ZINC000028970332 561985821 /nfs/dbraw/zinc/98/58/21/561985821.db2.gz RLKPOAPLTKGPPH-WVKCEPFPSA-N 2 1 552.807 7.304 1 0 KKAFMP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3CCCCCC[N@H+]3[C@H]41)CCCCCCCC2 ZINC000028970332 561985822 /nfs/dbraw/zinc/98/58/22/561985822.db2.gz RLKPOAPLTKGPPH-WVKCEPFPSA-N 2 1 552.807 7.304 1 0 KKAFMP CC[NH+](CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCC[N@H+](CC)Cc3ccccc3OC)cc2)cc1)Cc1ccccc1OC ZINC000029041580 561991193 /nfs/dbraw/zinc/99/11/93/561991193.db2.gz DQFITZQWLBZWPL-UHFFFAOYSA-N 2 1 706.972 9.413 1 0 KKAFMP C[NH+](CCC[N@H+](C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042806 561991649 /nfs/dbraw/zinc/99/16/49/561991649.db2.gz ORKIMQYINJNMRH-UHFFFAOYSA-N 2 1 550.787 6.673 1 0 KKAFMP CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029332444 562013942 /nfs/dbraw/zinc/01/39/42/562013942.db2.gz JCESZKTUENPOBS-PSXMRANNSA-N 2 1 634.692 7.411 1 0 KKAFMP C[N@H+](CCCn1c(N)nc2cc(Cl)c(Cl)cc21)CCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029406511 562020816 /nfs/dbraw/zinc/02/08/16/562020816.db2.gz VAQZCSREUQKYSB-UHFFFAOYSA-N 2 1 515.276 5.576 1 0 KKAFMP C[N@@H+](CCCn1c(N)nc2cc(Cl)c(Cl)cc21)CCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029406511 562020817 /nfs/dbraw/zinc/02/08/17/562020817.db2.gz VAQZCSREUQKYSB-UHFFFAOYSA-N 2 1 515.276 5.576 1 0 KKAFMP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000036284684 562053375 /nfs/dbraw/zinc/05/33/75/562053375.db2.gz CXNCKVKDTNIURI-SXLOSVNLSA-N 2 1 634.240 5.311 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351654 562058846 /nfs/dbraw/zinc/05/88/46/562058846.db2.gz AOGVTUDRZQZUJZ-XIFFEERXSA-N 2 1 631.475 9.160 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351654 562058848 /nfs/dbraw/zinc/05/88/48/562058848.db2.gz AOGVTUDRZQZUJZ-XIFFEERXSA-N 2 1 631.475 9.160 1 0 KKAFMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000043099788 562645903 /nfs/dbraw/zinc/64/59/03/562645903.db2.gz GGBHBMIRPAMULK-ACHIHNKUSA-N 2 1 574.854 6.131 1 0 KKAFMP CC[C@@H](C)NC(=[NH2+])c1ccc2nc(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])N[C@@H](C)CC)ccc6[nH]5)cc4)cc3)[nH]c2c1 ZINC000044281461 562653072 /nfs/dbraw/zinc/65/30/72/562653072.db2.gz VUGDEHFWTAZJIC-PSWAGMNNSA-N 2 1 610.810 7.985 1 0 KKAFMP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])N[C@@H](C)CC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000044281461 562653073 /nfs/dbraw/zinc/65/30/73/562653073.db2.gz VUGDEHFWTAZJIC-PSWAGMNNSA-N 2 1 610.810 7.985 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281403 562653078 /nfs/dbraw/zinc/65/30/78/562653078.db2.gz RJMPZVNRFHISRQ-DBWZWNDFSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@@H]1CCC[N@@H+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281403 562653079 /nfs/dbraw/zinc/65/30/79/562653079.db2.gz RJMPZVNRFHISRQ-DBWZWNDFSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@@H]1CCC[N@H+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281403 562653080 /nfs/dbraw/zinc/65/30/80/562653080.db2.gz RJMPZVNRFHISRQ-DBWZWNDFSA-N 2 1 564.862 8.377 1 0 KKAFMP C[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044305959 562653608 /nfs/dbraw/zinc/65/36/08/562653608.db2.gz GPRKGOQVWIWLPT-UHFFFAOYSA-N 2 1 637.796 5.253 1 0 KKAFMP Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCC[N@H+]3CC[C@@H]1[C@]1(C[C@H]4CC=CCCC[NH+]4[C@H]12)C3 ZINC000044306845 562653845 /nfs/dbraw/zinc/65/38/45/562653845.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 2 1 566.790 5.901 1 0 KKAFMP Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@H]4CC=CCCC[N@@H+]4[C@H]12)C3 ZINC000044306845 562653846 /nfs/dbraw/zinc/65/38/46/562653846.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 2 1 566.790 5.901 1 0 KKAFMP Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@H]4CC=CCCC[N@H+]4[C@H]12)C3 ZINC000044306845 562653847 /nfs/dbraw/zinc/65/38/47/562653847.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 2 1 566.790 5.901 1 0 KKAFMP C[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044352127 562655011 /nfs/dbraw/zinc/65/50/11/562655011.db2.gz MNPDPMNKAYGXBM-UHFFFAOYSA-N 2 1 623.769 5.065 1 0 KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000044359632 562655501 /nfs/dbraw/zinc/65/55/01/562655501.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000044359632 562655502 /nfs/dbraw/zinc/65/55/02/562655502.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000044359632 562655503 /nfs/dbraw/zinc/65/55/03/562655503.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 KKAFMP Clc1ccc2c(c1)N=C(N1CC[NH+](Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC1)c1ccccc1N2 ZINC000044404864 562656574 /nfs/dbraw/zinc/65/65/74/562656574.db2.gz CILDROBPHGWMGB-UHFFFAOYSA-N 2 1 544.143 6.548 1 0 KKAFMP CC[NH+](CC)Cc1ccc(OCCCCCC[N@H+]2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C2)cc1 ZINC000044430540 562657567 /nfs/dbraw/zinc/65/75/67/562657567.db2.gz PIIFMZVWKZCBRC-JIBXKPLWSA-N 2 1 534.741 5.702 1 0 KKAFMP C[N@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045168640 562658131 /nfs/dbraw/zinc/65/81/31/562658131.db2.gz KZBCKVTZVKBFDM-VXKWHMMOSA-N 2 1 512.481 5.624 1 0 KKAFMP C[NH+]1CCC[C@H]1COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045168640 562658132 /nfs/dbraw/zinc/65/81/32/562658132.db2.gz KZBCKVTZVKBFDM-VXKWHMMOSA-N 2 1 512.481 5.624 1 0 KKAFMP C[NH+]1CCC[C@H]1COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045168640 562658133 /nfs/dbraw/zinc/65/81/33/562658133.db2.gz KZBCKVTZVKBFDM-VXKWHMMOSA-N 2 1 512.481 5.624 1 0 KKAFMP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)/C=C/c3ccccc3)c2)c1 ZINC000045190690 562658540 /nfs/dbraw/zinc/65/85/40/562658540.db2.gz GLNCVIJADOEQBZ-WUKNDPDISA-N 2 1 538.780 5.779 1 0 KKAFMP O=C(Nc1ccc(-c2ccccc2)s1)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192489 562658597 /nfs/dbraw/zinc/65/85/97/562658597.db2.gz POOUKISFVOKVNB-SANMLTNESA-N 2 1 518.727 6.066 1 0 KKAFMP FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)[nH]c2c1 ZINC000045193040 562658702 /nfs/dbraw/zinc/65/87/02/562658702.db2.gz CEFBMGJPEATIPV-UHFFFAOYSA-N 2 1 513.567 6.633 1 0 KKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(Cl)c(O)c(OC)cc21 ZINC000045196113 562658933 /nfs/dbraw/zinc/65/89/33/562658933.db2.gz NQHIDPMLUMTPJU-ATTMEURXSA-N 2 1 501.067 5.294 1 0 KKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000045201474 562659029 /nfs/dbraw/zinc/65/90/29/562659029.db2.gz KBAPFMBPXXRZKD-NDEPHWFRSA-N 2 1 513.682 5.738 1 0 KKAFMP Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)[nH+]c5cc(C)ccc54)cc3)CC2)cc1 ZINC000045259514 562659964 /nfs/dbraw/zinc/65/99/64/562659964.db2.gz BAHPJNWHTFCKKZ-UHFFFAOYSA-N 2 1 522.697 5.775 1 0 KKAFMP CC(C)(C)CC[N@H+]1CCN([C@@H](C[NH2+]Cc2ccccc2)Cc2ccc(O)cc2)C[C@@H]1Cc1ccc(O)cc1 ZINC000045301711 562660541 /nfs/dbraw/zinc/66/05/41/562660541.db2.gz UQPKVSYUMZDOJU-IHLOFXLRSA-N 2 1 515.742 5.464 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049615748 562666677 /nfs/dbraw/zinc/66/66/77/562666677.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 2 1 650.772 7.079 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049615748 562666678 /nfs/dbraw/zinc/66/66/78/562666678.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 2 1 650.772 7.079 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049615748 562666679 /nfs/dbraw/zinc/66/66/79/562666679.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 2 1 650.772 7.079 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049615449 562666685 /nfs/dbraw/zinc/66/66/85/562666685.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 2 1 726.870 8.681 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049615449 562666686 /nfs/dbraw/zinc/66/66/86/562666686.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 2 1 726.870 8.681 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049615449 562666687 /nfs/dbraw/zinc/66/66/87/562666687.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 2 1 726.870 8.681 1 0 KKAFMP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000049626100 562666978 /nfs/dbraw/zinc/66/69/78/562666978.db2.gz GRPPRMZAVAEHJT-UUWRZZSWSA-N 2 1 557.782 7.128 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049626254 562667111 /nfs/dbraw/zinc/66/71/11/562667111.db2.gz UINYBERBEUKYIV-UHFFFAOYSA-N 2 1 605.783 6.044 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CC[C@H](O)CCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049708785 562671074 /nfs/dbraw/zinc/67/10/74/562671074.db2.gz FWKMZPGKUSOYOX-VBIQYIBKSA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7CC[C@H](O)CCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049708785 562671075 /nfs/dbraw/zinc/67/10/75/562671075.db2.gz FWKMZPGKUSOYOX-VBIQYIBKSA-N 2 1 582.789 5.756 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7CC[C@H](O)CCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049708785 562671076 /nfs/dbraw/zinc/67/10/76/562671076.db2.gz FWKMZPGKUSOYOX-VBIQYIBKSA-N 2 1 582.789 5.756 1 0 KKAFMP CCOP(=O)(OCC)[C@@H](NCCc1c[nH]c2ccccc12)c1ccc([C@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708921 562671129 /nfs/dbraw/zinc/67/11/29/562671129.db2.gz GCQPKRXHOAIDEP-LQFQNGICSA-N 2 1 694.750 8.843 1 0 KKAFMP COc1cc(NC(=O)c2nn(CCC[NH+]3CCC([NH+]4CCCC4)CC3)cc2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049710424 562671703 /nfs/dbraw/zinc/67/17/03/562671703.db2.gz XQZUAWZZWIKJKR-UHFFFAOYSA-N 2 1 616.590 6.085 1 0 KKAFMP O[C@@]12C=C([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000049757257 562675780 /nfs/dbraw/zinc/67/57/80/562675780.db2.gz XKUVHUCZHJQMJW-RCOWMPSOSA-N 3 1 552.807 6.037 1 0 KKAFMP O[C@@]12C=C([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000049757257 562675781 /nfs/dbraw/zinc/67/57/81/562675781.db2.gz XKUVHUCZHJQMJW-RCOWMPSOSA-N 3 1 552.807 6.037 1 0 KKAFMP O[C@@]12C=C([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[NH+](C[C@@]34C[C@@H]3C=CCCCC[N@H+]3[C@H]41)CCCC/C=C\CC2 ZINC000049757257 562675782 /nfs/dbraw/zinc/67/57/82/562675782.db2.gz XKUVHUCZHJQMJW-RCOWMPSOSA-N 3 1 552.807 6.037 1 0 KKAFMP C[N@@H+]1CCC[C@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000049777500 562680083 /nfs/dbraw/zinc/68/00/83/562680083.db2.gz SBSYQSASKXLENU-QFIPXVFZSA-N 2 1 556.674 7.000 1 0 KKAFMP C[N@H+]1CCC[C@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000049777500 562680084 /nfs/dbraw/zinc/68/00/84/562680084.db2.gz SBSYQSASKXLENU-QFIPXVFZSA-N 2 1 556.674 7.000 1 0 KKAFMP C[N@@H+]1CCC[C@@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000049777499 562680101 /nfs/dbraw/zinc/68/01/01/562680101.db2.gz SBSYQSASKXLENU-JOCHJYFZSA-N 2 1 556.674 7.000 1 0 KKAFMP C[N@H+]1CCC[C@@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000049777499 562680102 /nfs/dbraw/zinc/68/01/02/562680102.db2.gz SBSYQSASKXLENU-JOCHJYFZSA-N 2 1 556.674 7.000 1 0 KKAFMP 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+]CCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049823105 562687027 /nfs/dbraw/zinc/68/70/27/562687027.db2.gz KRNXBGIVMRDNEB-NVFJIAARSA-N 2 1 710.356 7.590 1 0 KKAFMP OCC[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000049888998 562691705 /nfs/dbraw/zinc/69/17/05/562691705.db2.gz NYCDMZJSIBQLQE-UHFFFAOYSA-N 3 1 551.779 6.529 1 0 KKAFMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000049898894 562692963 /nfs/dbraw/zinc/69/29/63/562692963.db2.gz CVUXIABNRCIXRF-UHFFFAOYSA-N 2 1 693.849 7.048 1 0 KKAFMP [NH3+]CCc1c2cc([O-])c([C@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902778 562693380 /nfs/dbraw/zinc/69/33/80/562693380.db2.gz CYAJKOUHPRYFRD-XZOQPEGZSA-N 2 1 650.419 6.044 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942250 562695393 /nfs/dbraw/zinc/69/53/93/562695393.db2.gz ZHNVEXZKXNWTHM-OPPLUPLLSA-N 3 1 725.911 7.980 1 0 KKAFMP OCC1([NH+]2CCC(n3c4ccccc4nc3N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)CCCCCCC1 ZINC000066112463 562712026 /nfs/dbraw/zinc/71/20/26/562712026.db2.gz ISIVFOIKEDCWTH-ISILISOKSA-N 2 1 541.784 5.717 1 0 KKAFMP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCCC1CCCC1 ZINC000066148839 562713686 /nfs/dbraw/zinc/71/36/86/562713686.db2.gz BWQQKSJTJZNDTB-MULFSZDLSA-N 3 1 549.852 5.018 3 0 KKAFMP CC(C)[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066148909 562713709 /nfs/dbraw/zinc/71/37/09/562713709.db2.gz NVQAIBRWJYMLSY-KABOGAJBSA-N 3 1 598.667 5.207 3 0 KKAFMP CC(C)[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066148909 562713710 /nfs/dbraw/zinc/71/37/10/562713710.db2.gz NVQAIBRWJYMLSY-KABOGAJBSA-N 2 1 598.667 5.207 3 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071318853 562718630 /nfs/dbraw/zinc/71/86/30/562718630.db2.gz QYAXGGUCDQSHIT-YTTGMZPUSA-N 2 1 613.246 7.513 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CC[NH+]1C ZINC000073258750 562737081 /nfs/dbraw/zinc/73/70/81/562737081.db2.gz ODCYIKWOTVSPKB-XZWHSSHBSA-N 2 1 622.762 6.743 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@H+]1C ZINC000073258750 562737082 /nfs/dbraw/zinc/73/70/82/562737082.db2.gz ODCYIKWOTVSPKB-XZWHSSHBSA-N 2 1 622.762 6.743 1 0 KKAFMP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@@H+]1C ZINC000073258750 562737083 /nfs/dbraw/zinc/73/70/83/562737083.db2.gz ODCYIKWOTVSPKB-XZWHSSHBSA-N 2 1 622.762 6.743 1 0 KKAFMP COc1ccc(OCCC[C@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[N@H+]2CCC[C@@H]2C)cc1 ZINC000082158342 562741079 /nfs/dbraw/zinc/74/10/79/562741079.db2.gz DXSIMOWQSIWUHR-NDOVKIIASA-N 2 1 512.738 7.733 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccncc2)CCc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084668631 562747699 /nfs/dbraw/zinc/74/76/99/562747699.db2.gz RXJAIGOAJAFHPC-HTOJEEBVSA-N 2 1 687.864 5.900 1 0 KKAFMP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)Cc2ccncc2)cc1)c1cccc2ccccc21 ZINC000084758350 562752616 /nfs/dbraw/zinc/75/26/16/562752616.db2.gz SCMATUJWEBPXBQ-AIJWEMPKSA-N 2 1 673.837 5.858 1 0 KKAFMP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])N7CCC([NH+]8CCCC8)CC7)cc6[nH]5)cc4)cc3)nc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000095543680 562757418 /nfs/dbraw/zinc/75/74/18/562757418.db2.gz HDGQAVLSNAUNTK-UHFFFAOYSA-N 4 1 760.991 8.337 1 0 KKAFMP CCC[NH+](CCCCCCCCC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095559929 562762924 /nfs/dbraw/zinc/76/29/24/562762924.db2.gz FAUOEZQOXBUMAX-CONSDPRKSA-N 2 1 534.829 7.667 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579197 562771451 /nfs/dbraw/zinc/77/14/51/562771451.db2.gz IFLLDHWKZPSVMJ-JTUQKUIRSA-N 2 1 548.812 6.510 1 0 KKAFMP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCCOCCOCC[N@@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095588264 562774600 /nfs/dbraw/zinc/77/46/00/562774600.db2.gz JBXPRLQSRAEESY-UHFFFAOYSA-N 2 1 690.973 7.554 1 0 KKAFMP OC1(c2ccccc2CN2CC[NH2+]CC2)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318635 562796544 /nfs/dbraw/zinc/79/65/44/562796544.db2.gz ROLCHVRRPRQQIU-UHFFFAOYSA-N 2 1 510.509 5.472 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096900473 562796901 /nfs/dbraw/zinc/79/69/01/562796901.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 2 1 747.288 9.026 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096900473 562796902 /nfs/dbraw/zinc/79/69/02/562796902.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 2 1 747.288 9.026 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096900473 562796903 /nfs/dbraw/zinc/79/69/03/562796903.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 2 1 747.288 9.026 1 0 KKAFMP C[C@H](c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](C)c3ccccc3)cc2)cc1 ZINC000096926973 562802476 /nfs/dbraw/zinc/80/24/76/562802476.db2.gz VLZNXMNXKJRQGR-FUKKJWEXSA-N 2 1 612.818 8.185 1 0 KKAFMP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CCN7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812788 /nfs/dbraw/zinc/81/27/88/562812788.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 1 570.781 6.089 1 0 KKAFMP C[N@@H+](CCCCN1CC[NH+](CCCCCCCCCOc2ccccc2)CC1)CCCc1ccccc1 ZINC000103184416 562815319 /nfs/dbraw/zinc/81/53/19/562815319.db2.gz FUSLGNYYXPZKPN-UHFFFAOYSA-N 2 1 507.807 6.759 1 0 KKAFMP C[N@H+](CCCC[NH+]1CCN(CCCCCCCCCOc2ccccc2)CC1)CCCc1ccccc1 ZINC000103184416 562815320 /nfs/dbraw/zinc/81/53/20/562815320.db2.gz FUSLGNYYXPZKPN-UHFFFAOYSA-N 2 1 507.807 6.759 1 0 KKAFMP C[N@@H+](CCCC[NH+]1CCN(CCCCCCCCCOc2ccccc2)CC1)CCCc1ccccc1 ZINC000103184416 562815321 /nfs/dbraw/zinc/81/53/21/562815321.db2.gz FUSLGNYYXPZKPN-UHFFFAOYSA-N 2 1 507.807 6.759 1 0 KKAFMP Clc1ccccc1C(c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1C[NH+]1CCCCC1)C2 ZINC000103230673 562818257 /nfs/dbraw/zinc/81/82/57/562818257.db2.gz ZLGWYJASQNICIN-QEIWAGNOSA-N 2 1 520.548 7.874 1 0 KKAFMP C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3=O)c(F)c2)C1 ZINC000140621602 562833248 /nfs/dbraw/zinc/83/32/48/562833248.db2.gz PMVGIMUYHZHQJC-IGKIAQTJSA-N 2 1 504.694 5.298 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)CCc1c3cccc(Br)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294824 562852285 /nfs/dbraw/zinc/85/22/85/562852285.db2.gz GXGZGUQURJJKLJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(Br)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294824 562852286 /nfs/dbraw/zinc/85/22/86/562852286.db2.gz GXGZGUQURJJKLJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP CCC1=C[C@H]2C[NH+](C1)CCc1c3cccc(Br)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294824 562852287 /nfs/dbraw/zinc/85/22/87/562852287.db2.gz GXGZGUQURJJKLJ-AGJHSZMPSA-N 2 1 871.870 5.559 1 0 KKAFMP 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+]CCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302345 562853059 /nfs/dbraw/zinc/85/30/59/562853059.db2.gz ZRIWAGNSSSNQQM-JGOGGBIOSA-N 2 1 759.454 6.966 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1nnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327051 562858054 /nfs/dbraw/zinc/85/80/54/562858054.db2.gz GVKKRJSZIVGNTJ-UHFFFAOYSA-N 2 1 636.679 5.692 1 0 KKAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1nnc2ccccc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327051 562858055 /nfs/dbraw/zinc/85/80/55/562858055.db2.gz GVKKRJSZIVGNTJ-UHFFFAOYSA-N 2 1 636.679 5.692 1 0 KKAFMP CN1CC[NH+](CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448900 562871917 /nfs/dbraw/zinc/87/19/17/562871917.db2.gz OJKVDKLFJYQQNR-UZBSQRRVSA-N 2 1 515.742 5.142 1 0 KKAFMP Cc1cc(Nc2[nH]c3ccccc3[nH+]2)c2ccccc2c1Oc1ncccc1-c1ccnc(NCC[NH+](C)C)n1 ZINC000299836246 562887076 /nfs/dbraw/zinc/88/70/76/562887076.db2.gz MZOBZDVFDCQUAV-UHFFFAOYSA-N 2 1 530.636 6.386 1 0 KKAFMP COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@H](C5CC[NH+](C)CC5)CC4)c4ncnc(N)c34)ccc2[nH]1 ZINC000299848899 562890339 /nfs/dbraw/zinc/89/03/39/562890339.db2.gz OBDZFXLPCBGQSA-LSNLESRRSA-N 2 1 550.711 5.624 1 0 KKAFMP CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C[NH2+]CCNc3cc[nH+]c4cc(Cl)ccc34)s2)cc1 ZINC000299863602 562893871 /nfs/dbraw/zinc/89/38/71/562893871.db2.gz LEYGOVHZCQYSEU-UHFFFAOYSA-N 2 1 509.075 7.165 1 0 KKAFMP CCCC[N@H+](Cc1ccccc1)C[C@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299869699 562895345 /nfs/dbraw/zinc/89/53/45/562895345.db2.gz VFAQYCMSJSCDCB-DHUJRADRSA-N 2 1 636.906 6.762 1 0 KKAFMP CCCC[C@@H]1C[C@@](CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473085837 562896973 /nfs/dbraw/zinc/89/69/73/562896973.db2.gz YRBFVPQLCITKOD-JQTYSHOSSA-N 2 1 551.747 7.002 1 0 KKAFMP COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@@H]([NH+](C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902535 /nfs/dbraw/zinc/90/25/35/562902535.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 2 1 577.169 5.891 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200839 562903814 /nfs/dbraw/zinc/90/38/14/562903814.db2.gz FFUJBEXHRRHCRE-CYWCHRQTSA-N 2 1 508.062 5.816 1 0 KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000070454270 565119455 /nfs/dbraw/zinc/11/94/55/565119455.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000070454270 565119460 /nfs/dbraw/zinc/11/94/60/565119460.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000070454270 565119470 /nfs/dbraw/zinc/11/94/70/565119470.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000085949227 565171051 /nfs/dbraw/zinc/17/10/51/565171051.db2.gz BIQLCSCFEQRHME-FQLXRVMXSA-N 2 1 608.735 6.820 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](C[NH+]1C)C3)[C@H](Cc1ccccc1O)[N@H+](C)CC2 ZINC000095485886 565173605 /nfs/dbraw/zinc/17/36/05/565173605.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 2 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](C[NH+]1C)C3)[C@H](Cc1ccccc1O)[N@@H+](C)CC2 ZINC000095485886 565173607 /nfs/dbraw/zinc/17/36/07/565173607.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 2 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMP CC[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580194 561805586 /nfs/dbraw/zinc/80/55/86/561805586.db2.gz AJLJWJGSCGGSNQ-UIOOFZCWSA-N 2 1 544.740 6.084 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672434 561812699 /nfs/dbraw/zinc/81/26/99/561812699.db2.gz NYMHTAUWRGVXEZ-UHFFFAOYSA-N 2 1 508.066 5.013 1 0 KKAFMP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739806 561817878 /nfs/dbraw/zinc/81/78/78/561817878.db2.gz VPAVMJLWTAZZAC-TYHGNQNSSA-N 2 1 594.844 6.208 1 0 KKAFMP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739806 561817879 /nfs/dbraw/zinc/81/78/79/561817879.db2.gz VPAVMJLWTAZZAC-TYHGNQNSSA-N 2 1 594.844 6.208 1 0 KKAFMP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739806 561817880 /nfs/dbraw/zinc/81/78/80/561817880.db2.gz VPAVMJLWTAZZAC-TYHGNQNSSA-N 2 1 594.844 6.208 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421267 561857625 /nfs/dbraw/zinc/85/76/25/561857625.db2.gz IMWCKHQQVPILQC-YUHHKXEKSA-N 2 1 679.906 6.213 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420740 561857673 /nfs/dbraw/zinc/85/76/73/561857673.db2.gz XTJMLCAUNHFIRS-YJEMJTFBSA-N 2 1 653.868 5.777 1 0 KKAFMP COC(=O)C1=C(C)[NH+]=C(C)N(Cc2cccc(C[NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000027550853 561867866 /nfs/dbraw/zinc/86/78/66/561867866.db2.gz BVILLZIQPZNAQJ-YTTGMZPUSA-N 2 1 601.694 6.094 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4ccccc4)Cc4ccccc4)CC3)cc[nH+]c2c1 ZINC000027640583 561875257 /nfs/dbraw/zinc/87/52/57/561875257.db2.gz KVRFIHQTZUHYQK-UHFFFAOYSA-N 3 1 542.171 6.400 1 0 KKAFMP CC[N@H+]1CC[C@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027861011 561887135 /nfs/dbraw/zinc/88/71/35/561887135.db2.gz PVLWRZWADLWWLL-LJAQVGFWSA-N 2 1 526.746 7.107 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000028104182 561902029 /nfs/dbraw/zinc/90/20/29/561902029.db2.gz XKOGFRLCVUGXQM-HXUWFJFHSA-N 2 1 555.953 7.032 1 0 KKAFMP CC(C)COCCC[NH2+][C@@H](C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028345828 561914928 /nfs/dbraw/zinc/91/49/28/561914928.db2.gz KEELGABBGYLGJD-AWMKSUOCSA-N 2 1 660.303 5.144 1 0 KKAFMP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645916 561944654 /nfs/dbraw/zinc/94/46/54/561944654.db2.gz PSEZXKUUBYWUDL-PGUFJCEWSA-N 2 1 527.772 6.947 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645967 561944758 /nfs/dbraw/zinc/94/47/58/561944758.db2.gz DHUKBDYVZDFTNL-UMSFTDKQSA-N 2 1 545.762 7.086 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714108 561954640 /nfs/dbraw/zinc/95/46/40/561954640.db2.gz PPEZHAIMPHDNBB-BSKOTCCJSA-N 2 1 632.909 7.435 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000028714108 561954642 /nfs/dbraw/zinc/95/46/42/561954642.db2.gz PPEZHAIMPHDNBB-BSKOTCCJSA-N 2 1 632.909 7.435 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000028714108 561954644 /nfs/dbraw/zinc/95/46/44/561954644.db2.gz PPEZHAIMPHDNBB-BSKOTCCJSA-N 2 1 632.909 7.435 1 0 KKAFMP COc1ccccc1CCN(C(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000028823654 561968364 /nfs/dbraw/zinc/96/83/64/561968364.db2.gz DASUNKDHPZBVDL-IHLOFXLRSA-N 2 1 511.710 5.430 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C3CCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824181 561969326 /nfs/dbraw/zinc/96/93/26/561969326.db2.gz HPNQUCWDYHMLQX-WEWMWRJBSA-N 2 1 513.101 5.052 1 0 KKAFMP C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889989 561978223 /nfs/dbraw/zinc/97/82/23/561978223.db2.gz GTXLIDBURRGFMW-FFCVWOAGSA-N 2 1 563.117 6.402 1 0 KKAFMP O=C([C@H]1C[N@@H+](C2CCCCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953906 561982630 /nfs/dbraw/zinc/98/26/30/561982630.db2.gz PECFGJOOKPMVNA-SAIUNTKASA-N 2 1 577.257 6.325 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc5c(c4)OCO5)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954008 561982887 /nfs/dbraw/zinc/98/28/87/561982887.db2.gz IGVZVMCDMFAJPR-WDYNHAJCSA-N 2 1 581.201 5.129 1 0 KKAFMP CC[N@@H+](Cc1ccc(OC)cc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954015 561982903 /nfs/dbraw/zinc/98/29/03/561982903.db2.gz CUGWDLKCQZFJAR-SAIUNTKASA-N 2 1 595.272 6.142 1 0 KKAFMP CC[NH+](Cc1ccc(OC)cc1)CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954015 561982905 /nfs/dbraw/zinc/98/29/05/561982905.db2.gz CUGWDLKCQZFJAR-SAIUNTKASA-N 2 1 595.272 6.142 1 0 KKAFMP CC[NH+](Cc1ccc(OC)cc1)CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954015 561982907 /nfs/dbraw/zinc/98/29/07/561982907.db2.gz CUGWDLKCQZFJAR-SAIUNTKASA-N 2 1 595.272 6.142 1 0 KKAFMP CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000028970279 561985835 /nfs/dbraw/zinc/98/58/35/561985835.db2.gz ZLWVVMJBQYSYBP-DUOUGCOTSA-N 2 1 662.919 7.627 1 0 KKAFMP CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000028970279 561985837 /nfs/dbraw/zinc/98/58/37/561985837.db2.gz ZLWVVMJBQYSYBP-DUOUGCOTSA-N 2 1 662.919 7.627 1 0 KKAFMP CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000028970279 561985839 /nfs/dbraw/zinc/98/58/39/561985839.db2.gz ZLWVVMJBQYSYBP-DUOUGCOTSA-N 2 1 662.919 7.627 1 0 KKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055829 561994959 /nfs/dbraw/zinc/99/49/59/561994959.db2.gz VZGOFBLWSLPNDR-VSJLXWSYSA-N 2 1 534.829 8.016 1 0 in-vivo KKAFMP Cc1ccc2c(c1)C(=O)N(CCC[NH+](CCCCCC[N@H+](CCCN1C(=O)c3ccc(C)cc3C1=O)C1CCCCC1)C1CCCCC1)C2=O ZINC000029205808 562005099 /nfs/dbraw/zinc/00/50/99/562005099.db2.gz AJIVYRHHGKFSDJ-UHFFFAOYSA-N 2 1 682.950 7.806 1 0 KKAFMP O=C1c2ccccc2C(=O)N1CCC[NH+](CCCCCC[N@@H+](CCCc1ccccc1)CCCN1C(=O)c2ccccc2C1=O)CCCc1ccccc1 ZINC000029206101 562005148 /nfs/dbraw/zinc/00/51/48/562005148.db2.gz ANHMENQCYCAXKB-UHFFFAOYSA-N 2 1 726.962 7.789 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029395121 562018219 /nfs/dbraw/zinc/01/82/19/562018219.db2.gz QVHOLGDTQLACOM-GKQHHHCTSA-N 2 1 573.609 5.167 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CCCCC1 ZINC000029488876 562028943 /nfs/dbraw/zinc/02/89/43/562028943.db2.gz RCNIBMAQLZWNRG-UWXQCODUSA-N 2 1 638.897 6.317 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CCCCC1 ZINC000029488876 562028945 /nfs/dbraw/zinc/02/89/45/562028945.db2.gz RCNIBMAQLZWNRG-UWXQCODUSA-N 2 1 638.897 6.317 1 0 KKAFMP CCCCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546212 562029993 /nfs/dbraw/zinc/02/99/93/562029993.db2.gz IKZKJTZSLURQHH-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP CCCCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546212 562029995 /nfs/dbraw/zinc/02/99/95/562029995.db2.gz IKZKJTZSLURQHH-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP CCCCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546212 562029996 /nfs/dbraw/zinc/02/99/96/562029996.db2.gz IKZKJTZSLURQHH-RNPORBBMSA-N 2 1 526.810 5.408 1 0 KKAFMP CCN(CC)C(=O)[C@@H]1CCC[NH+](CCCCCCCCCC[N@@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)C1 ZINC000029550929 562030953 /nfs/dbraw/zinc/03/09/53/562030953.db2.gz VUAPWEZMELHKGR-VSGBNLITSA-N 2 1 506.820 5.268 1 0 KKAFMP Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3C[N@@H+](CCCc3cccnc3)CC4)CC2)c1 ZINC000036093023 562047101 /nfs/dbraw/zinc/04/71/01/562047101.db2.gz MYITWYAKEJQAFS-UHFFFAOYSA-N 2 1 528.144 5.893 1 0 KKAFMP Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3C[N@H+](CCCc3cccnc3)CC4)CC2)c1 ZINC000036093023 562047103 /nfs/dbraw/zinc/04/71/03/562047103.db2.gz MYITWYAKEJQAFS-UHFFFAOYSA-N 2 1 528.144 5.893 1 0 KKAFMP CC1CC[NH+](CCC(=O)N[C@H]2C[C@H]3C[C@@](c4cccc(O)c4)(C2)[C@H](C)C[N@H+]3CCCc2ccccc2)CC1 ZINC000040764260 562079554 /nfs/dbraw/zinc/07/95/54/562079554.db2.gz PXFXMBOPCYLKTA-RZGHOXDUSA-N 2 1 517.758 5.374 1 0 KKAFMP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@@H+]1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088212 /nfs/dbraw/zinc/08/82/12/562088212.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088214 /nfs/dbraw/zinc/08/82/14/562088214.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 2 1 580.773 5.964 1 0 KKAFMP O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088215 /nfs/dbraw/zinc/08/82/15/562088215.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 2 1 580.773 5.964 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(C[S@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043122715 562646257 /nfs/dbraw/zinc/64/62/57/562646257.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043122715 562646258 /nfs/dbraw/zinc/64/62/58/562646258.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043122715 562646259 /nfs/dbraw/zinc/64/62/59/562646259.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 2 1 510.744 6.321 1 0 KKAFMP O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000043175214 562646602 /nfs/dbraw/zinc/64/66/02/562646602.db2.gz CIAWHNGOFJZBCL-MGBGTMOVSA-N 2 1 642.288 7.168 1 0 KKAFMP C[NH+](C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1 ZINC000043199963 562646876 /nfs/dbraw/zinc/64/68/76/562646876.db2.gz LWWQYOWAPGRPRH-NDEPHWFRSA-N 2 1 629.636 7.152 1 0 in-vitro KKAFMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1 ZINC000043199963 562646877 /nfs/dbraw/zinc/64/68/77/562646877.db2.gz LWWQYOWAPGRPRH-NDEPHWFRSA-N 2 1 629.636 7.152 1 0 in-vitro KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CC[NH+]1C ZINC000044306880 562653870 /nfs/dbraw/zinc/65/38/70/562653870.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 2 1 608.735 6.859 1 0 in-vivo KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@H+]1C ZINC000044306880 562653871 /nfs/dbraw/zinc/65/38/71/562653871.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 2 1 608.735 6.859 1 0 in-vivo KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C2)CC[N@@H+]1C ZINC000044306880 562653872 /nfs/dbraw/zinc/65/38/72/562653872.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 2 1 608.735 6.859 1 0 in-vivo KKAFMP CC[N@H+](CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416752 562656980 /nfs/dbraw/zinc/65/69/80/562656980.db2.gz UPQMKAIHADRBKX-JOCHJYFZSA-N 2 1 568.187 5.988 1 0 KKAFMP CC[N@@H+](CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416752 562656981 /nfs/dbraw/zinc/65/69/81/562656981.db2.gz UPQMKAIHADRBKX-JOCHJYFZSA-N 2 1 568.187 5.988 1 0 KKAFMP CCC[NH+](CCCN(CCC[N@H+](CCC)C(C)C)c1cc(C)nc(Nc2ccc(Cl)cc2)n1)C(C)C ZINC000045189811 562658456 /nfs/dbraw/zinc/65/84/56/562658456.db2.gz WJUJKFDRJAUQIY-UHFFFAOYSA-N 2 1 517.206 7.009 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000045334512 562661271 /nfs/dbraw/zinc/66/12/71/562661271.db2.gz FBTZFNRQQIAKHT-UHFFFAOYSA-N 2 1 534.104 5.896 1 0 KKAFMP C[NH+]1CCC([C@H](c2ccc(Cl)cc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365034 562662045 /nfs/dbraw/zinc/66/20/45/562662045.db2.gz QUDJCWKOPXBSPH-YTTGMZPUSA-N 2 1 516.129 6.089 1 0 KKAFMP CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000049605356 562665733 /nfs/dbraw/zinc/66/57/33/562665733.db2.gz GSNIRLNWFYLXHY-CWAYLNQUSA-N 2 1 563.742 7.145 1 0 KKAFMP CC1(C)[C@@H]2C[C@H]1[C@H](CNc1nc(N3CCC([NH+]4CCCC4)CC3)nc(NCC(=O)Nc3ccc4ccccc4c3)[nH+]1)CC2 ZINC000049627032 562667508 /nfs/dbraw/zinc/66/75/08/562667508.db2.gz UNDGXHIXXWQLET-ZEZDXWPOSA-N 2 1 582.797 5.624 1 0 KKAFMP CCN1CCN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7ccc(C(=[NH2+])N8CCN(CC)CC8)cc7[nH]6)cc5)cc4)nc3c2)CC1 ZINC000049650218 562668037 /nfs/dbraw/zinc/66/80/37/562668037.db2.gz UOAXFFKPIVDLLI-UHFFFAOYSA-N 2 1 680.861 6.491 1 0 KKAFMP CCOP(=O)(OCC)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([C@@H](NCCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708918 562671134 /nfs/dbraw/zinc/67/11/34/562671134.db2.gz GCQPKRXHOAIDEP-TYHGNQNSSA-N 2 1 694.750 8.843 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@@H]1C1=C[C@@]2(O)CC/C=C\CCCC[N@H+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000049710243 562671595 /nfs/dbraw/zinc/67/15/95/562671595.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 2 1 566.834 6.380 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@@H]1C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[N@@H+]4[C@H]12)C3 ZINC000049710243 562671596 /nfs/dbraw/zinc/67/15/96/562671596.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 2 1 566.834 6.380 1 0 KKAFMP CN1CCc2c3ccccc3[nH]c2[C@@H]1C1=C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[N@H+]4[C@H]12)C3 ZINC000049710243 562671597 /nfs/dbraw/zinc/67/15/97/562671597.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 2 1 566.834 6.380 1 0 KKAFMP C[C@H]1C[N@@H+](Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[NH+](C)CC5)c4)ccc3F)c2)CCN1C ZINC000049744999 562673578 /nfs/dbraw/zinc/67/35/78/562673578.db2.gz LSFMHQPXLGYHJH-VWLOTQADSA-N 2 1 542.743 5.443 1 0 KKAFMP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[NH+](C)CC5)c4)ccc3F)c2)CC[N@@H+]1C ZINC000049744999 562673579 /nfs/dbraw/zinc/67/35/79/562673579.db2.gz LSFMHQPXLGYHJH-VWLOTQADSA-N 2 1 542.743 5.443 1 0 KKAFMP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[NH+](C)CC5)c4)ccc3F)c2)CC[N@H+]1C ZINC000049744999 562673580 /nfs/dbraw/zinc/67/35/80/562673580.db2.gz LSFMHQPXLGYHJH-VWLOTQADSA-N 2 1 542.743 5.443 1 0 KKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000049757242 562675784 /nfs/dbraw/zinc/67/57/84/562675784.db2.gz VXJOOTNFWSEXEQ-UWXQCODUSA-N 4 1 560.830 6.728 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@@H+]5C)c4)cc3)cc2)c1 ZINC000049757242 562675787 /nfs/dbraw/zinc/67/57/87/562675787.db2.gz VXJOOTNFWSEXEQ-UWXQCODUSA-N 3 1 560.830 6.728 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000049757242 562675788 /nfs/dbraw/zinc/67/57/88/562675788.db2.gz VXJOOTNFWSEXEQ-UWXQCODUSA-N 3 1 560.830 6.728 1 0 KKAFMP CN1CC[NH+](Cc2ccc(NC(=O)OC[C@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762223 562676423 /nfs/dbraw/zinc/67/64/23/562676423.db2.gz BNADKFGPICFCAD-SANMLTNESA-N 2 1 543.693 5.302 1 0 KKAFMP CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049771177 562677999 /nfs/dbraw/zinc/67/79/99/562677999.db2.gz SPJRZFQSMUVKQV-SPWOZAQASA-N 3 1 633.929 6.113 1 0 KKAFMP CC(C)(C)CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771700 562678312 /nfs/dbraw/zinc/67/83/12/562678312.db2.gz VTWFJLCOSFVAEY-MVPPQRGBSA-N 2 1 661.935 8.231 1 0 KKAFMP CC(C)(C)CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771700 562678313 /nfs/dbraw/zinc/67/83/13/562678313.db2.gz VTWFJLCOSFVAEY-MVPPQRGBSA-N 2 1 661.935 8.231 1 0 KKAFMP CC(C)(C)CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771700 562678314 /nfs/dbraw/zinc/67/83/14/562678314.db2.gz VTWFJLCOSFVAEY-MVPPQRGBSA-N 2 1 661.935 8.231 1 0 KKAFMP CC(C)(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771666 562678329 /nfs/dbraw/zinc/67/83/29/562678329.db2.gz WIOJUPZXMHVOPP-WKKCBXNOSA-N 2 1 647.908 7.840 1 0 KKAFMP CC(C)(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771666 562678330 /nfs/dbraw/zinc/67/83/30/562678330.db2.gz WIOJUPZXMHVOPP-WKKCBXNOSA-N 2 1 647.908 7.840 1 0 KKAFMP CC(C)(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049771666 562678331 /nfs/dbraw/zinc/67/83/31/562678331.db2.gz WIOJUPZXMHVOPP-WKKCBXNOSA-N 2 1 647.908 7.840 1 0 KKAFMP C[NH+]1CCc2ccccc2Cc2ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@H+](C)CCc3ccccc3C4)cc2CC1 ZINC000049780213 562681480 /nfs/dbraw/zinc/68/14/80/562681480.db2.gz XUHIMIGMTWKPCU-UHFFFAOYSA-N 2 1 644.944 8.727 1 0 KKAFMP CC[N@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780913 562682456 /nfs/dbraw/zinc/68/24/56/562682456.db2.gz BNQVFVPZXLTYLM-AREMUKBSSA-N 2 1 656.819 5.297 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049817531 562686832 /nfs/dbraw/zinc/68/68/32/562686832.db2.gz ZHNVEXZKXNWTHM-HVMLWUFWSA-N 3 1 725.911 7.980 1 0 KKAFMP 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+]CCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049889370 562692049 /nfs/dbraw/zinc/69/20/49/562692049.db2.gz KRNXBGIVMRDNEB-PANYSFOQSA-N 2 1 710.356 7.590 1 0 KKAFMP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCC[NH+]3CCN(C)CC3)C(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000049917784 562693882 /nfs/dbraw/zinc/69/38/82/562693882.db2.gz YEPACNGQHKMPKV-UHFFFAOYSA-N 2 1 569.219 6.025 1 0 KKAFMP CC[NH+](CC)CCCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049917882 562694053 /nfs/dbraw/zinc/69/40/53/562694053.db2.gz MGEGFAPPWLMROB-UHFFFAOYSA-N 2 1 591.135 6.088 1 0 KKAFMP CC[NH2+]C(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 ZINC000058592594 562700620 /nfs/dbraw/zinc/70/06/20/562700620.db2.gz OAXZWFIAYWRPIB-PZXMZKPCSA-N 2 1 616.193 6.098 1 0 KKAFMP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])N[C@H](C)CC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000058603829 562700931 /nfs/dbraw/zinc/70/09/31/562700931.db2.gz VUGDEHFWTAZJIC-DNQXCXABSA-N 2 1 610.810 7.985 1 0 KKAFMP CC(C)C[NH+](CC(C)C)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064379493 562704890 /nfs/dbraw/zinc/70/48/90/562704890.db2.gz DLMAHEURGWWRQJ-PZWMIYICSA-N 2 1 588.872 6.486 1 0 KKAFMP CC[C@H](C)C[C@H](NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])CCCc1ccc(-c2ccccc2)cc1)C(C)C)C(=O)NCCCc1ccccc1 ZINC000064437242 562705257 /nfs/dbraw/zinc/70/52/57/562705257.db2.gz BTJIOQIVSIPVBA-GUKRFWIHSA-N 2 1 628.902 5.649 1 0 KKAFMP C[NH+](C)CCN1CCN(C(=O)N2C[C@H]([N@@H+](C)Cc3ccc(C(F)(F)F)c(F)c3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000064511959 562706164 /nfs/dbraw/zinc/70/61/64/562706164.db2.gz ZCFMKLWEPWFMJW-RLWLMLJZSA-N 2 1 604.520 5.350 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073945 562709642 /nfs/dbraw/zinc/70/96/42/562709642.db2.gz HGSQOYNWHXVVJS-JGCGQSQUSA-N 2 1 592.788 5.610 1 0 KKAFMP CCC[C@@H](C[N@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066136289 562713053 /nfs/dbraw/zinc/71/30/53/562713053.db2.gz OEYJVVPXADZZGO-IHZBLBIESA-N 3 1 563.879 5.408 3 0 KKAFMP [NH3+]CCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@H+]1CCc1c[nH]c2ccccc12 ZINC000072115328 562722980 /nfs/dbraw/zinc/72/29/80/562722980.db2.gz JIZLTCCSRQRYNK-SZRGUQLDSA-N 2 1 661.887 7.296 1 0 KKAFMP COc1ccc(C[NH2+]C[C@@H](CCCC[N@@H+](C)Cc2ccc(OC)cc2)N2C[C@H](c3ccccc3)N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)cc1 ZINC000072121200 562724145 /nfs/dbraw/zinc/72/41/45/562724145.db2.gz KDTMQIOUBMOSIC-FXBDCZLJSA-N 2 1 731.765 7.426 3 0 KKAFMP CCc1[nH+]c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000072134826 562727350 /nfs/dbraw/zinc/72/73/50/562727350.db2.gz QCPKDNFHSPNEEC-UHFFFAOYSA-N 2 1 537.733 6.142 3 0 KKAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc6c(cc5NC4=C(C(=O)OC)C1)O[C@H]1[C@@H]6[N@H+]4CC[C@]56c7ccccc7NC5=C(C(=O)OC)C[C@@](CC)([C@H]46)[C@@H]1O)[C@@H]32 ZINC000072135795 562727569 /nfs/dbraw/zinc/72/75/69/562727569.db2.gz YQIMTIRTIOECPN-HEBOQUGASA-N 2 1 702.852 5.063 1 0 KKAFMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc6c(cc5NC4=C(C(=O)OC)C1)O[C@H]1[C@@H]6[NH+]4CC[C@]56c7ccccc7NC5=C(C(=O)OC)C[C@@](CC)([C@H]46)[C@@H]1O)[C@@H]32 ZINC000072135795 562727570 /nfs/dbraw/zinc/72/75/70/562727570.db2.gz YQIMTIRTIOECPN-HEBOQUGASA-N 2 1 702.852 5.063 1 0 KKAFMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc6c(cc5NC4=C(C(=O)OC)C1)O[C@H]1[C@@H]6[NH+]4CC[C@]56c7ccccc7NC5=C(C(=O)OC)C[C@@](CC)([C@H]46)[C@@H]1O)[C@@H]32 ZINC000072135795 562727571 /nfs/dbraw/zinc/72/75/71/562727571.db2.gz YQIMTIRTIOECPN-HEBOQUGASA-N 2 1 702.852 5.063 1 0 KKAFMP COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390986 562738649 /nfs/dbraw/zinc/73/86/49/562738649.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 2 1 576.693 6.831 1 0 KKAFMP COc1ccc(OCCC[C@@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[N@H+]2CCC[C@@H]2C)cc1 ZINC000082158343 562741116 /nfs/dbraw/zinc/74/11/16/562741116.db2.gz DXSIMOWQSIWUHR-FOPBOCKXSA-N 2 1 512.738 7.733 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084654839 562747366 /nfs/dbraw/zinc/74/73/66/562747366.db2.gz STUKKPRVMQJVHH-XOAACPPSSA-N 2 1 673.837 5.858 1 0 KKAFMP CC[NH+](CC)Cc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000095575611 562770383 /nfs/dbraw/zinc/77/03/83/562770383.db2.gz NXNBTJXXHOISND-UHFFFAOYSA-N 2 1 616.846 9.634 1 0 KKAFMP CC[N@@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095576112 562770524 /nfs/dbraw/zinc/77/05/24/562770524.db2.gz GEDCFQCGOZAXCA-UHFFFAOYSA-N 2 1 513.711 6.390 1 0 KKAFMP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@H+]7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[NH+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786294 /nfs/dbraw/zinc/78/62/94/562786294.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 2 1 799.032 6.750 1 0 KKAFMP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786295 /nfs/dbraw/zinc/78/62/95/562786295.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 2 1 799.032 6.750 1 0 KKAFMP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786296 /nfs/dbraw/zinc/78/62/96/562786296.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 2 1 799.032 6.750 1 0 KKAFMP CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284380 562795123 /nfs/dbraw/zinc/79/51/23/562795123.db2.gz BKWGSIZDACKFHE-SSEXGKCCSA-N 2 1 537.708 5.622 1 0 KKAFMP CC[N@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284380 562795124 /nfs/dbraw/zinc/79/51/24/562795124.db2.gz BKWGSIZDACKFHE-SSEXGKCCSA-N 2 1 537.708 5.622 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096900327 562796796 /nfs/dbraw/zinc/79/67/96/562796796.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 2 1 788.938 8.759 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096900327 562796797 /nfs/dbraw/zinc/79/67/97/562796797.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 2 1 788.938 8.759 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096900327 562796798 /nfs/dbraw/zinc/79/67/98/562796798.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 2 1 788.938 8.759 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096903124 562797798 /nfs/dbraw/zinc/79/77/98/562797798.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 2 1 777.756 9.495 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096903124 562797799 /nfs/dbraw/zinc/79/77/99/562797799.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 2 1 777.756 9.495 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096903124 562797800 /nfs/dbraw/zinc/79/78/00/562797800.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 2 1 777.756 9.495 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096903110 562797807 /nfs/dbraw/zinc/79/78/07/562797807.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 2 1 748.898 7.922 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096903110 562797808 /nfs/dbraw/zinc/79/78/08/562797808.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 2 1 748.898 7.922 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096903110 562797809 /nfs/dbraw/zinc/79/78/09/562797809.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 2 1 748.898 7.922 1 0 KKAFMP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCC[NH+]1[C@H](O)C1CCCCC1 ZINC000096926975 562802504 /nfs/dbraw/zinc/80/25/04/562802504.db2.gz RKVBMXRHLVVGSC-QRYWEVSESA-N 2 1 628.858 6.460 1 0 KKAFMP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCC[NH+]1[C@H](O)C1CCCCC1 ZINC000096926975 562802505 /nfs/dbraw/zinc/80/25/05/562802505.db2.gz RKVBMXRHLVVGSC-QRYWEVSESA-N 2 1 628.858 6.460 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033935 562806235 /nfs/dbraw/zinc/80/62/35/562806235.db2.gz VTFJWOXHAJNSBJ-PTBNBFCCSA-N 2 1 533.713 6.421 1 0 KKAFMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809845 /nfs/dbraw/zinc/80/98/45/562809845.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 2 1 576.785 6.851 1 0 KKAFMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809846 /nfs/dbraw/zinc/80/98/46/562809846.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 2 1 576.785 6.851 1 0 KKAFMP O=C(c1c[nH+]c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000114035045 562826937 /nfs/dbraw/zinc/82/69/37/562826937.db2.gz IBRGZAOFCIFXEB-UHFFFAOYSA-N 2 1 539.598 6.411 1 0 KKAFMP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[N@@H+](C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795431 562830649 /nfs/dbraw/zinc/83/06/49/562830649.db2.gz OQQLKHVTFRESEW-MHHVZENASA-N 2 1 576.181 6.949 1 0 KKAFMP COc1ccc2c(c1)C[N@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000140272948 562832948 /nfs/dbraw/zinc/83/29/48/562832948.db2.gz CZFWPLJKZPVFAU-NFQPKNNSSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1ccc2c(c1)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000140272948 562832949 /nfs/dbraw/zinc/83/29/49/562832949.db2.gz CZFWPLJKZPVFAU-NFQPKNNSSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1ccc2c(c1)C[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000140272948 562832950 /nfs/dbraw/zinc/83/29/50/562832950.db2.gz CZFWPLJKZPVFAU-NFQPKNNSSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCCCCCc1cnnn1CCNc1c3ccccc3[nH+]c3c1CCCC3)CC2 ZINC000142276577 562834103 /nfs/dbraw/zinc/83/41/03/562834103.db2.gz CYNQBOTZAQCFGD-FAIXQHPJSA-N 2 1 644.864 7.585 1 0 KKAFMP 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+]CCCCNc5cc[nH+]c6cc(Cl)ccc56)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000150532521 562843834 /nfs/dbraw/zinc/84/38/34/562843834.db2.gz MNYAZXCYCZRXBR-VLWXAIMPSA-N 2 1 666.347 8.438 1 0 KKAFMP CCc1c2cc(N)ccc2[nH]c1[C@@](C[C@H]1C=C(CC)C[NH2+]C1)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]23CC[N@H+]2C=CC[C@](CC)([C@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC ZINC000150550794 562844586 /nfs/dbraw/zinc/84/45/86/562844586.db2.gz JBNPASFUSQQDKY-AGJHSZMPSA-N 2 1 810.005 5.020 1 0 KKAFMP C/C=C1/C[NH+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[N@@H+]5C/C(=C/C)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)C=C[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169291356 562851911 /nfs/dbraw/zinc/85/19/11/562851911.db2.gz VCDMHIARBYKHSB-RFIZNQPASA-N 2 1 634.824 5.512 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@@H]([C@H]97)[C@H]7C[C@@H]8[N@@H+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169291356 562851912 /nfs/dbraw/zinc/85/19/12/562851912.db2.gz VCDMHIARBYKHSB-RFIZNQPASA-N 2 1 634.824 5.512 1 0 KKAFMP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@@H]([C@H]97)[C@H]7C[C@@H]8[N@H+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169291356 562851913 /nfs/dbraw/zinc/85/19/13/562851913.db2.gz VCDMHIARBYKHSB-RFIZNQPASA-N 2 1 634.824 5.512 1 0 KKAFMP CCC1=C[C@H]2C[N@@H+](C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852159 /nfs/dbraw/zinc/85/21/59/562852159.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 2 1 825.041 5.823 1 0 KKAFMP 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+]CCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000169302191 562853024 /nfs/dbraw/zinc/85/30/24/562853024.db2.gz KRNXBGIVMRDNEB-IDQLPAOKSA-N 2 1 710.356 7.590 1 0 KKAFMP 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+]CCCNc4cc[nH+]c5cc(Cl)ccc45)CC[C@H]3[C@H]12 ZINC000169302338 562853070 /nfs/dbraw/zinc/85/30/70/562853070.db2.gz MOICQXYIHUWVTB-YWBKZELNSA-N 2 1 694.357 8.007 1 0 KKAFMP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@H+]2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O ZINC000169323326 562857029 /nfs/dbraw/zinc/85/70/29/562857029.db2.gz MSAQGVKTRRVSDT-YJNPBZNESA-N 2 1 703.302 6.466 1 0 KKAFMP C[N@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874233 /nfs/dbraw/zinc/87/42/33/562874233.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N 2 1 520.008 6.199 1 0 KKAFMP c1ccc2[nH+]c(Nc3ccc(Oc4ncccc4-c4ccnc(N[C@@H]5CCC[NH2+]C5)n4)c4ccccc34)[nH]c2c1 ZINC000299823464 562882911 /nfs/dbraw/zinc/88/29/11/562882911.db2.gz DSBYFQXQZZQAFZ-HXUWFJFHSA-N 2 1 528.620 6.268 1 0 KKAFMP C[NH+](C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000299831051 562885419 /nfs/dbraw/zinc/88/54/19/562885419.db2.gz IUDPPAXWQBHYHO-UHFFFAOYSA-N 2 1 516.609 6.078 1 0 KKAFMP O=c1cc(C[NH2+]CCCCCCNc2cc[nH+]c3cc(Cl)ccc23)n(C2CC2)cc1OCc1ccccc1 ZINC000299838138 562887726 /nfs/dbraw/zinc/88/77/26/562887726.db2.gz LIOLOYTVLKUEJJ-UHFFFAOYSA-N 2 1 531.100 6.726 1 0 KKAFMP CC[NH+](CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864117 562894049 /nfs/dbraw/zinc/89/40/49/562894049.db2.gz LZNTUKFMGLSYSB-IEFDIXSJSA-N 2 1 559.710 6.182 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864792 562894201 /nfs/dbraw/zinc/89/42/01/562894201.db2.gz MVEOKWWWGIPPQA-DCERFKFHSA-N 2 1 545.683 5.792 1 0 KKAFMP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(ccnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473093465 562897763 /nfs/dbraw/zinc/89/77/63/562897763.db2.gz UHYFXOCDZTVOCT-UHFFFAOYSA-N 2 1 631.173 7.343 1 0 KKAFMP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(ccnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473093465 562897764 /nfs/dbraw/zinc/89/77/64/562897764.db2.gz UHYFXOCDZTVOCT-UHFFFAOYSA-N 2 1 631.173 7.343 1 0 KKAFMP CCCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152125 562901781 /nfs/dbraw/zinc/90/17/81/562901781.db2.gz ODLNVGRMSRRORB-XGAFWQRZSA-N 2 1 510.078 6.206 1 0 KKAFMP C[NH+](C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159062 562902581 /nfs/dbraw/zinc/90/25/81/562902581.db2.gz FEBYRPLOGIYSFM-GCSLNTQSSA-N 2 1 528.480 5.576 1 0 KKAFMP CS(=O)(=O)NCC[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 ZINC000473236402 562904653 /nfs/dbraw/zinc/90/46/53/562904653.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 2 1 595.898 5.757 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236402 562904654 /nfs/dbraw/zinc/90/46/54/562904654.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 2 1 595.898 5.757 1 0 KKAFMP CS(=O)(=O)NCC[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236402 562904655 /nfs/dbraw/zinc/90/46/55/562904655.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 2 1 595.898 5.757 1 0 KKAFMP COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000070454474 565119568 /nfs/dbraw/zinc/11/95/68/565119568.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2ccc1Oc1cc3c(cc1OC)CC[NH+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000070454474 565119575 /nfs/dbraw/zinc/11/95/75/565119575.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000095919042 565189206 /nfs/dbraw/zinc/18/92/06/565189206.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[N@H+](C)CC2 ZINC000095919042 565189213 /nfs/dbraw/zinc/18/92/13/565189213.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2 ZINC000095919042 565189219 /nfs/dbraw/zinc/18/92/19/565189219.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 2 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)sc(=O)n3CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000003917082 561685141 /nfs/dbraw/zinc/68/51/41/561685141.db2.gz QBKUPBPJZQRXGW-UHFFFAOYSA-N 2 1 630.830 5.951 1 0 KKAFMP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCNC(=O)[C@@H]2C[N@@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000003975393 561691891 /nfs/dbraw/zinc/69/18/91/561691891.db2.gz QVHOLGDTQLACOM-QUAHOIDUSA-N 2 1 573.609 5.167 1 0 KKAFMP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H]2C[N@@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000003975402 561691950 /nfs/dbraw/zinc/69/19/50/561691950.db2.gz HEABXBKCOZEPLO-GASGPIRDSA-N 2 1 615.690 6.337 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3ccncc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191776 561737599 /nfs/dbraw/zinc/73/75/99/561737599.db2.gz XSLYYJWTXUSRQA-JGCGQSQUSA-N 2 1 563.573 7.248 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3ccncc3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191776 561737600 /nfs/dbraw/zinc/73/76/00/561737600.db2.gz XSLYYJWTXUSRQA-JGCGQSQUSA-N 2 1 563.573 7.248 1 0 KKAFMP COc1ccccc1N1CC[NH+](CCCc2ccc3c(c2)sc(=O)n3CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026575107 561799054 /nfs/dbraw/zinc/79/90/54/561799054.db2.gz LZVZRPUWGPOYBB-UHFFFAOYSA-N 2 1 616.803 5.560 1 0 KKAFMP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739801 561817910 /nfs/dbraw/zinc/81/79/10/561817910.db2.gz VPAVMJLWTAZZAC-LQFQNGICSA-N 2 1 594.844 6.208 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744367 561818530 /nfs/dbraw/zinc/81/85/30/561818530.db2.gz DFYRHGJYRCVNFA-RFRSNRLQSA-N 2 1 525.649 6.062 1 0 KKAFMP Cn1nnnc1-c1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026822216 561821378 /nfs/dbraw/zinc/82/13/78/561821378.db2.gz HJLBYGARYJZYPE-AJQTZOPKSA-N 2 1 556.799 5.323 1 0 KKAFMP [NH2+]=C(NC1CCCC1)c1ccc2[nH]c(-c3ccc(-c4nc5ccc(C(=[NH2+])NC6CCCC6)cc5[nH]4)o3)nc2c1 ZINC000027304706 561849380 /nfs/dbraw/zinc/84/93/80/561849380.db2.gz SEKATPONOCLPPU-UHFFFAOYSA-N 2 1 520.641 6.081 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421277 561857689 /nfs/dbraw/zinc/85/76/89/561857689.db2.gz IMWCKHQQVPILQC-SAKQCVITSA-N 2 1 679.906 6.213 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425204 561858250 /nfs/dbraw/zinc/85/82/50/561858250.db2.gz KJKZOKVFJPDHQM-GDDOFHFPSA-N 2 1 679.906 6.291 1 0 KKAFMP C[N@@H+](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441949 561860796 /nfs/dbraw/zinc/86/07/96/561860796.db2.gz MQKHVKMWIBXXJD-MHZLTWQESA-N 2 1 541.624 6.890 1 0 KKAFMP COC(=O)C1=C(C)[NH+]=C(C)N(Cc2cccc(C[NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027550850 561867936 /nfs/dbraw/zinc/86/79/36/561867936.db2.gz BVILLZIQPZNAQJ-JGCGQSQUSA-N 2 1 601.694 6.094 1 0 KKAFMP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+]Cc4cccc(Oc5ccccc5)c4)CC3)cc[nH+]c2c1 ZINC000027628227 561873491 /nfs/dbraw/zinc/87/34/91/561873491.db2.gz MWTPSHKQAAFMAV-UHFFFAOYSA-N 3 1 544.143 6.280 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711936 561879775 /nfs/dbraw/zinc/87/97/75/561879775.db2.gz XTXRFZVMWNLBLL-XXPXGFABSA-N 2 1 698.945 7.230 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711936 561879776 /nfs/dbraw/zinc/87/97/76/561879776.db2.gz XTXRFZVMWNLBLL-XXPXGFABSA-N 2 1 698.945 7.230 1 0 in-vivo KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711936 561879777 /nfs/dbraw/zinc/87/97/77/561879777.db2.gz XTXRFZVMWNLBLL-XXPXGFABSA-N 2 1 698.945 7.230 1 0 in-vivo KKAFMP COC(=O)CCCN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028099292 561901294 /nfs/dbraw/zinc/90/12/94/561901294.db2.gz ZXRXOVXEQHMMRL-UHFFFAOYSA-N 2 1 553.711 5.051 1 0 KKAFMP O=C(NC[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000028116606 561903824 /nfs/dbraw/zinc/90/38/24/561903824.db2.gz TXRMMMQHBVOSRA-OAQYLSRUSA-N 2 1 537.963 6.893 1 0 KKAFMP CC[N@@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1 ZINC000028331031 561912726 /nfs/dbraw/zinc/91/27/26/561912726.db2.gz YXAMYMSRDBPPGO-UHFFFAOYSA-N 2 1 504.162 6.481 1 0 KKAFMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028475203 561927759 /nfs/dbraw/zinc/92/77/59/561927759.db2.gz INQGOZPUMJRPOU-YZNIXAGQSA-N 2 1 597.587 5.056 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714107 561954600 /nfs/dbraw/zinc/95/46/00/561954600.db2.gz IQJFWBFLHKBIGS-WHMCYVJPSA-N 2 1 604.855 6.655 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@H+](C)Cc1ccc(F)cc1 ZINC000028714107 561954602 /nfs/dbraw/zinc/95/46/02/561954602.db2.gz IQJFWBFLHKBIGS-WHMCYVJPSA-N 2 1 604.855 6.655 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000028714107 561954604 /nfs/dbraw/zinc/95/46/04/561954604.db2.gz IQJFWBFLHKBIGS-WHMCYVJPSA-N 2 1 604.855 6.655 1 0 KKAFMP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824151 561969204 /nfs/dbraw/zinc/96/92/04/561969204.db2.gz DBGRIWDPDVYMIO-ARNLJNQMSA-N 2 1 555.060 5.452 1 0 KKAFMP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCC[N@@H+]4C)c3)cc2)c1 ZINC000028861791 561971732 /nfs/dbraw/zinc/97/17/32/561971732.db2.gz UBPMTQBRZZVPHI-HEVIKAOCSA-N 4 1 512.786 5.841 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCC[N@@H+]4C)c3)cc2)c1 ZINC000028861791 561971735 /nfs/dbraw/zinc/97/17/35/561971735.db2.gz UBPMTQBRZZVPHI-HEVIKAOCSA-N 3 1 512.786 5.841 1 0 KKAFMP CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCC[N@H+]4C)c3)cc2)c1 ZINC000028861791 561971736 /nfs/dbraw/zinc/97/17/36/561971736.db2.gz UBPMTQBRZZVPHI-HEVIKAOCSA-N 3 1 512.786 5.841 1 0 KKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cn(C)c5ccc(Br)cc45)C3)[nH+]c2c1 ZINC000028951101 561981449 /nfs/dbraw/zinc/98/14/49/561981449.db2.gz HGQDAFURKJZBLS-SFTDATJTSA-N 2 1 507.476 6.319 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH+](C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982862 /nfs/dbraw/zinc/98/28/62/561982862.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 1 552.207 5.138 1 0 KKAFMP CC(C)[NH+]1C[C@H](C(=O)N2CCN(C3(C[N@H+](C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982864 /nfs/dbraw/zinc/98/28/64/561982864.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 1 552.207 5.138 1 0 KKAFMP CC(C)[NH+]1C[C@H](C(=O)N2CCN(C3(C[N@@H+](C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982865 /nfs/dbraw/zinc/98/28/65/561982865.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 1 552.207 5.138 1 0 KKAFMP CC(C)[N@@H+]1C[C@H](C(=O)N2CC[NH+](C3(CN(C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982868 /nfs/dbraw/zinc/98/28/68/561982868.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 1 552.207 5.138 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CC[NH+](C3(CN(C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982870 /nfs/dbraw/zinc/98/28/70/561982870.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 1 552.207 5.138 1 0 KKAFMP CC(=O)N(Cc1ccncc1)CC1([NH+]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954036 561982966 /nfs/dbraw/zinc/98/29/66/561982966.db2.gz JZSMIXXQZDFUGS-JSOSNVBQSA-N 2 1 580.217 5.055 1 0 KKAFMP CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCCCC3)CC2)C1 ZINC000028959720 561983977 /nfs/dbraw/zinc/98/39/77/561983977.db2.gz HDFXTRWAPSCSBM-WUFINQPMSA-N 2 1 509.138 5.099 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000028970306 561985799 /nfs/dbraw/zinc/98/57/99/561985799.db2.gz BHRFYFSYVSXAIC-LMPWOBKPSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[N@@H+]7[C@H]45)C6)c3[nH]c21 ZINC000028970306 561985801 /nfs/dbraw/zinc/98/58/01/561985801.db2.gz BHRFYFSYVSXAIC-LMPWOBKPSA-N 2 1 568.806 7.009 1 0 KKAFMP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000028970306 561985803 /nfs/dbraw/zinc/98/58/03/561985803.db2.gz BHRFYFSYVSXAIC-LMPWOBKPSA-N 2 1 568.806 7.009 1 0 KKAFMP COc1c(C)c(C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)(C)C)c(OC)c2ccccc21 ZINC000029134945 562004425 /nfs/dbraw/zinc/00/44/25/562004425.db2.gz OGRFAXUFZWCPOI-UHFFFAOYSA-N 2 1 506.090 7.327 1 0 KKAFMP COc1c(C)c(C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC(C)(C)C)c(OC)c2ccccc21 ZINC000029134945 562004427 /nfs/dbraw/zinc/00/44/27/562004427.db2.gz OGRFAXUFZWCPOI-UHFFFAOYSA-N 2 1 506.090 7.327 1 0 KKAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCCCCOC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029397030 562018839 /nfs/dbraw/zinc/01/88/39/562018839.db2.gz OWEVFHDZQFKJLN-ZRTHHSRSSA-N 2 1 617.658 7.191 1 0 KKAFMP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@@H+](C)C1CCCCC1 ZINC000029476556 562026499 /nfs/dbraw/zinc/02/64/99/562026499.db2.gz AYVXCTTVJWTRPT-HEVIKAOCSA-N 2 1 590.853 5.574 1 0 KKAFMP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548645 562030509 /nfs/dbraw/zinc/03/05/09/562030509.db2.gz YCGNDFOYUIBXSD-KKLWWLSJSA-N 2 1 622.810 5.488 1 0 KKAFMP CN1CC[NH+](CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+](C)C)c4)C[C@@H]3C2)CC1 ZINC000036351705 562059020 /nfs/dbraw/zinc/05/90/20/562059020.db2.gz OQUSLDHYPYOCKJ-NVDQFQLTSA-N 2 1 569.625 5.886 1 0 KKAFMP CN1CCC(CC2CCCCC2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157817 562069427 /nfs/dbraw/zinc/06/94/27/562069427.db2.gz NMKAUOMKZJYMKD-CZNDPXEESA-N 2 1 620.282 5.181 1 0 KKAFMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@@H](c2ccccc2)C1 ZINC000043065909 562645342 /nfs/dbraw/zinc/64/53/42/562645342.db2.gz HLFQPMNDRXUKAD-HHHXNRCGSA-N 2 1 525.619 5.159 1 0 KKAFMP C[N@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)[C@@H](c2ccccc2)C1 ZINC000043065909 562645343 /nfs/dbraw/zinc/64/53/43/562645343.db2.gz HLFQPMNDRXUKAD-HHHXNRCGSA-N 2 1 525.619 5.159 1 0 KKAFMP c1ccc(CCc2ccccc2CNCCC[NH2+]CCCC[NH2+]Cc2ccccc2CCc2ccccc2)cc1 ZINC000043075259 562645653 /nfs/dbraw/zinc/64/56/53/562645653.db2.gz LTQUMKYKZBIQCO-UHFFFAOYSA-N 2 1 533.804 6.896 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@]4(C[S@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043511423 562648753 /nfs/dbraw/zinc/64/87/53/562648753.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[S@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043511423 562648754 /nfs/dbraw/zinc/64/87/54/562648754.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 2 1 510.744 6.321 1 0 KKAFMP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[S@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043511423 562648755 /nfs/dbraw/zinc/64/87/55/562648755.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 2 1 510.744 6.321 1 0 KKAFMP O[C@@]12C=C(C3=NCCc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CC/C=C\CCCC2 ZINC000044305013 562653294 /nfs/dbraw/zinc/65/32/94/562653294.db2.gz LRUDBTRYFRCTLQ-BDYONYFUSA-N 2 1 552.807 6.491 1 0 KKAFMP CC[NH+](CCCCCCN1CCN(CCCCCC[N@H+](CC)Cc2ccccc2OC)C1=O)Cc1ccccc1OC ZINC000044351007 562654428 /nfs/dbraw/zinc/65/44/28/562654428.db2.gz AHIBLNIHLALZKU-UHFFFAOYSA-N 2 1 580.858 6.906 1 0 KKAFMP O=C(NCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)[C@@H]1CCC[N@H+]1CCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000044351048 562654441 /nfs/dbraw/zinc/65/44/41/562654441.db2.gz SQVWHOMDKZAUNJ-DHUJRADRSA-N 3 1 604.843 6.816 1 0 KKAFMP O=C(NCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)[C@@H]1CCCN1CCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000044351048 562654442 /nfs/dbraw/zinc/65/44/42/562654442.db2.gz SQVWHOMDKZAUNJ-DHUJRADRSA-N 2 1 604.843 6.816 1 0 KKAFMP O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCC[N@H+]3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000044351348 562654614 /nfs/dbraw/zinc/65/46/14/562654614.db2.gz SPQVJBJQVWOEOF-AKCFSLPDSA-N 3 1 566.790 5.706 1 0 KKAFMP O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[N@@H+]4[C@H]12)C3 ZINC000044351348 562654615 /nfs/dbraw/zinc/65/46/15/562654615.db2.gz SPQVJBJQVWOEOF-AKCFSLPDSA-N 3 1 566.790 5.706 1 0 KKAFMP O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCC[NH+]3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[N@H+]4[C@H]12)C3 ZINC000044351348 562654616 /nfs/dbraw/zinc/65/46/16/562654616.db2.gz SPQVJBJQVWOEOF-AKCFSLPDSA-N 3 1 566.790 5.706 1 0 KKAFMP O=C1N(CC[NH+]2CCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000044360468 562655581 /nfs/dbraw/zinc/65/55/81/562655581.db2.gz NJDAIEKCJUPYPX-UHFFFAOYSA-N 2 1 563.573 6.320 1 0 KKAFMP CN(CC[NH+](C)C)Cc1nc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)cs1 ZINC000045167000 562657972 /nfs/dbraw/zinc/65/79/72/562657972.db2.gz HYZLXSJDCCGHQC-UHFFFAOYSA-N 2 1 509.679 6.888 1 0 KKAFMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)CC2)cc1 ZINC000045190997 562658514 /nfs/dbraw/zinc/65/85/14/562658514.db2.gz JWKMVKNPWANSHJ-UHFFFAOYSA-N 3 1 519.689 6.126 1 0 KKAFMP O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CC[N@H+](C1CCC1)CC2 ZINC000045194260 562658811 /nfs/dbraw/zinc/65/88/11/562658811.db2.gz QUZADQLTRKINEQ-UHFFFAOYSA-N 2 1 529.556 5.279 1 0 KKAFMP O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CC[N@@H+](C1CCC1)CC2 ZINC000045194260 562658812 /nfs/dbraw/zinc/65/88/12/562658812.db2.gz QUZADQLTRKINEQ-UHFFFAOYSA-N 2 1 529.556 5.279 1 0 KKAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)c3ccccc23)C1)c1ccc(Cl)c(Cl)c1 ZINC000045209837 562659246 /nfs/dbraw/zinc/65/92/46/562659246.db2.gz LLMYEBLRTYQCOK-QFIPXVFZSA-N 2 1 512.481 5.626 1 0 KKAFMP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CCC[NH+]3CCN(C)CC3)C(=O)/C=C/c3ccccc3)c2)cc1 ZINC000045319709 562661004 /nfs/dbraw/zinc/66/10/04/562661004.db2.gz OXIQENIUUOGTMV-OBGWFSINSA-N 2 1 538.780 5.779 1 0 KKAFMP C[N@@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000045497499 562662790 /nfs/dbraw/zinc/66/27/90/562662790.db2.gz DYIUVKGLWBPAQY-UHFFFAOYSA-N 3 1 521.753 7.167 1 0 KKAFMP COc1cccc(OC)c1CN1CCC([N@@H+](C)CCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1 ZINC000049605358 562665765 /nfs/dbraw/zinc/66/57/65/562665765.db2.gz WOYDDWUUHPCEGI-UHFFFAOYSA-N 2 1 670.939 8.321 1 0 KKAFMP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(C(=[NH2+])N7CCSCC7)cc6[nH]5)cc4)cc3)nc2c1)N1CCSCC1 ZINC000049615847 562666709 /nfs/dbraw/zinc/66/67/09/562666709.db2.gz BUDHWTUEBOQYBM-UHFFFAOYSA-N 2 1 658.857 7.314 1 0 KKAFMP COc1cc2[nH+]c(N3CCC(C[NH2+]Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049626613 562667264 /nfs/dbraw/zinc/66/72/64/562667264.db2.gz UONBOYSLZUGXKE-UHFFFAOYSA-N 2 1 551.613 5.921 1 0 KKAFMP CN1CC[NH+](CCCN(Cc2cccc(-c3cccc(C[NH2+]CCc4ccccc4)c3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049639216 562667690 /nfs/dbraw/zinc/66/76/90/562667690.db2.gz FRASXPXZJMKDKT-UHFFFAOYSA-N 2 1 575.801 6.358 1 0 KKAFMP Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCC[NH2+][C@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710597 562671725 /nfs/dbraw/zinc/67/17/25/562671725.db2.gz ZDEPMBSNSMMZEB-KDURUIRLSA-N 2 1 652.067 6.720 1 0 KKAFMP CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049711739 562672066 /nfs/dbraw/zinc/67/20/66/562672066.db2.gz LBARWLHFNPNTFV-NELUWVLVSA-N 2 1 618.910 8.375 1 0 KKAFMP CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049711739 562672067 /nfs/dbraw/zinc/67/20/67/562672067.db2.gz LBARWLHFNPNTFV-NELUWVLVSA-N 2 1 618.910 8.375 1 0 KKAFMP CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049711739 562672068 /nfs/dbraw/zinc/67/20/68/562672068.db2.gz LBARWLHFNPNTFV-NELUWVLVSA-N 2 1 618.910 8.375 1 0 KKAFMP CC(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771742 562678395 /nfs/dbraw/zinc/67/83/95/562678395.db2.gz WPWIISSMXMKBEB-ZWNDYYEHSA-N 2 1 633.881 7.450 1 0 KKAFMP CC(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c2c1 ZINC000049771742 562678396 /nfs/dbraw/zinc/67/83/96/562678396.db2.gz WPWIISSMXMKBEB-ZWNDYYEHSA-N 2 1 633.881 7.450 1 0 KKAFMP CC(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c2c1 ZINC000049771742 562678397 /nfs/dbraw/zinc/67/83/97/562678397.db2.gz WPWIISSMXMKBEB-ZWNDYYEHSA-N 2 1 633.881 7.450 1 0 KKAFMP COc1ccc(CC[N@@H+](C)CCC[C@](C[NH2+]CC2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049777140 562679704 /nfs/dbraw/zinc/67/97/04/562679704.db2.gz CKXNLQJVGHCHFU-PSXMRANNSA-N 2 1 611.868 6.348 1 0 KKAFMP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000049793493 562684896 /nfs/dbraw/zinc/68/48/96/562684896.db2.gz MHVNYNUTMUHLOQ-UHFFFAOYSA-N 3 1 682.923 5.415 1 0 KKAFMP C[NH+]1CCc2ccccc2Cc2ccc(OCCCOc3ccc4c(c3)CC[N@@H+](C)CCc3ccccc3C4)cc2CC1 ZINC000049803067 562686028 /nfs/dbraw/zinc/68/60/28/562686028.db2.gz OGFANFTYHBKIPN-UHFFFAOYSA-N 2 1 574.809 6.777 1 0 KKAFMP 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+]CCNc4cc[nH+]c5cc(Cl)ccc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000049833203 562687567 /nfs/dbraw/zinc/68/75/67/562687567.db2.gz OIIVAUPRMHYHRI-IAKKQPNNSA-N 2 1 724.383 7.980 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000049841229 562688124 /nfs/dbraw/zinc/68/81/24/562688124.db2.gz IFRDHHIQTSNIJG-UHFFFAOYSA-N 2 1 645.815 8.890 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841428 562688319 /nfs/dbraw/zinc/68/83/19/562688319.db2.gz HWBGBIQGALATDY-HKXOCFPISA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[N@@H+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841428 562688320 /nfs/dbraw/zinc/68/83/20/562688320.db2.gz HWBGBIQGALATDY-HKXOCFPISA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[N@H+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[NH+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841428 562688321 /nfs/dbraw/zinc/68/83/21/562688321.db2.gz HWBGBIQGALATDY-HKXOCFPISA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841429 562688335 /nfs/dbraw/zinc/68/83/35/562688335.db2.gz HWBGBIQGALATDY-UQYIXSGBSA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000049841429 562688336 /nfs/dbraw/zinc/68/83/36/562688336.db2.gz HWBGBIQGALATDY-UQYIXSGBSA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@H](CC)C2)C1 ZINC000049841429 562688337 /nfs/dbraw/zinc/68/83/37/562688337.db2.gz HWBGBIQGALATDY-UQYIXSGBSA-N 2 1 680.934 7.419 1 0 KKAFMP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888968 562691666 /nfs/dbraw/zinc/69/16/66/562691666.db2.gz LOOANSAOYXBBSO-QFIPXVFZSA-N 2 1 554.135 5.018 1 0 KKAFMP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888968 562691667 /nfs/dbraw/zinc/69/16/67/562691667.db2.gz LOOANSAOYXBBSO-QFIPXVFZSA-N 2 1 554.135 5.018 1 0 KKAFMP COc1cc(NC(=O)CCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)ccc1N1CC[NH+](C(C)C)CC1 ZINC000049917891 562694068 /nfs/dbraw/zinc/69/40/68/562694068.db2.gz XYBJTRRZOLJVGE-UHFFFAOYSA-N 2 1 548.559 5.073 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CC[NH+]4C)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000049898607 562692702 /nfs/dbraw/zinc/69/27/02/562692702.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 2 1 670.803 6.477 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CC[N@H+]4C)c(OC)cc3CC[NH+]2C)cc1O ZINC000049898607 562692703 /nfs/dbraw/zinc/69/27/03/562692703.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 2 1 670.803 6.477 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CC[N@@H+]4C)c(OC)cc3CC[NH+]2C)cc1O ZINC000049898607 562692704 /nfs/dbraw/zinc/69/27/04/562692704.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 2 1 670.803 6.477 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC(=O)Oc2ccc4c(c2)-c2cccc5c2[C@@H](C4)[N@@H+](CCC)CC5)c1-3 ZINC000049899524 562693175 /nfs/dbraw/zinc/69/31/75/562693175.db2.gz MFYPDFYITWHTII-FZNHDDJXSA-N 2 1 654.851 8.433 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)CCCC(=O)Oc2cccc4c2-c2cccc5c2[C@@H](C4)[N@H+](CCC)CC5)cc1-3 ZINC000049899524 562693176 /nfs/dbraw/zinc/69/31/76/562693176.db2.gz MFYPDFYITWHTII-FZNHDDJXSA-N 2 1 654.851 8.433 1 0 KKAFMP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)CCCC(=O)Oc2cccc4c2-c2cccc5c2[C@@H](C4)[N@@H+](CCC)CC5)cc1-3 ZINC000049899524 562693177 /nfs/dbraw/zinc/69/31/77/562693177.db2.gz MFYPDFYITWHTII-FZNHDDJXSA-N 2 1 654.851 8.433 1 0 KKAFMP [NH3+]CCc1c2c(ccc([O-])c2[C@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899643 562693320 /nfs/dbraw/zinc/69/33/20/562693320.db2.gz KJQYELPBSPDCOH-NHCUHLMSSA-N 2 1 650.419 6.044 1 0 KKAFMP C[C@H]1CN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)[NH2+]1 ZINC000049917861 562694045 /nfs/dbraw/zinc/69/40/45/562694045.db2.gz GRBGQMNUHSAYID-SFTDATJTSA-N 2 1 577.655 5.716 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942266 562695422 /nfs/dbraw/zinc/69/54/22/562695422.db2.gz ZHNVEXZKXNWTHM-IJERKEDCSA-N 3 1 725.911 7.980 1 0 KKAFMP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000058468606 562697941 /nfs/dbraw/zinc/69/79/41/562697941.db2.gz OCUVBNBZPYQEBS-SPWOZAQASA-N 3 1 722.809 7.227 1 0 KKAFMP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058522358 562698579 /nfs/dbraw/zinc/69/85/79/562698579.db2.gz YFDJQAZBRSGJIT-FTJBHMTQSA-N 3 1 594.247 8.547 1 0 KKAFMP CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@H+](C)CCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058522358 562698580 /nfs/dbraw/zinc/69/85/80/562698580.db2.gz YFDJQAZBRSGJIT-FTJBHMTQSA-N 2 1 594.247 8.547 1 0 KKAFMP CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058522358 562698581 /nfs/dbraw/zinc/69/85/81/562698581.db2.gz YFDJQAZBRSGJIT-FTJBHMTQSA-N 2 1 594.247 8.547 1 0 KKAFMP CCC[NH+](CCC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058563915 562699403 /nfs/dbraw/zinc/69/94/03/562699403.db2.gz WPFJNBQSGBXUAA-ILJQZKEFSA-N 2 1 560.818 5.994 1 0 KKAFMP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058638793 562701200 /nfs/dbraw/zinc/70/12/00/562701200.db2.gz DLMKTWKCMCVAMJ-RPBOFIJWSA-N 3 1 628.692 9.201 1 0 KKAFMP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685468 562701545 /nfs/dbraw/zinc/70/15/45/562701545.db2.gz RMUPNRJFGFALOJ-DPGPWOJDSA-N 3 1 685.846 7.200 1 0 KKAFMP COc1cc(-c2nc(C[NH2+]CCC[NH+](C)C)cc3c4ccccc4n(CCCc4ccccc4)c32)cc(OC)c1OC ZINC000064447261 562705347 /nfs/dbraw/zinc/70/53/47/562705347.db2.gz JWIYRTANBHHNEM-UHFFFAOYSA-N 2 1 566.746 6.556 1 0 KKAFMP Cc1c(C(=O)NCCCCCCC[N@@H+](C)CCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064512195 562706228 /nfs/dbraw/zinc/70/62/28/562706228.db2.gz JGRAAQQKBSBAQR-UHFFFAOYSA-N 2 1 621.097 8.329 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074418 562709857 /nfs/dbraw/zinc/70/98/57/562709857.db2.gz BEKQWPIRNPOIER-YTTGMZPUSA-N 2 1 562.762 5.602 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCC[NH+]2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077226 562710264 /nfs/dbraw/zinc/71/02/64/562710264.db2.gz SNXPYOZDXRKEER-PMERELPUSA-N 2 1 525.737 6.209 1 0 KKAFMP CC[NH+](CC)CCCCCCCOc1ccc(C(=O)c2ccc(C[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000071317124 562718163 /nfs/dbraw/zinc/71/81/63/562718163.db2.gz SDRNTFZOPOEUSB-UHFFFAOYSA-N 2 1 500.727 7.221 1 0 KKAFMP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@@H+](CCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071317207 562718172 /nfs/dbraw/zinc/71/81/72/562718172.db2.gz REXVRCXDIWIKGL-UUWRZZSWSA-N 2 1 641.300 7.945 1 0 KKAFMP C[N@@H+](CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000071318496 562718502 /nfs/dbraw/zinc/71/85/02/562718502.db2.gz QQERDUJEEYWVED-UHFFFAOYSA-N 2 1 615.262 7.240 1 0 KKAFMP C[N@H+](CC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330166 562719066 /nfs/dbraw/zinc/71/90/66/562719066.db2.gz QJIHBQHUALITFU-XMMPIXPASA-N 2 1 510.509 5.570 1 0 KKAFMP C[N@@H+](CC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330166 562719067 /nfs/dbraw/zinc/71/90/67/562719067.db2.gz QJIHBQHUALITFU-XMMPIXPASA-N 2 1 510.509 5.570 1 0 KKAFMP O=S(=O)(Nc1cc(-c2ccc3[nH+]ccc(N4CC[NH+](Cc5ccncc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073159002 562733994 /nfs/dbraw/zinc/73/39/94/562733994.db2.gz GHYIOUMBYNIERQ-UHFFFAOYSA-N 2 1 589.096 5.607 1 0 KKAFMP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000073279983 562737433 /nfs/dbraw/zinc/73/74/33/562737433.db2.gz PNYWSRFQQRUDKN-BHVANESWSA-N 2 1 615.884 6.032 1 0 KKAFMP CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(CNc3cc(C)cc[nH+]3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084587877 562743530 /nfs/dbraw/zinc/74/35/30/562743530.db2.gz NJXHXZFCLWKLTJ-UHFFFAOYSA-N 2 1 540.152 5.158 1 0 KKAFMP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1CC[N@@H+](C)[C@@H]3C2 ZINC000084653888 562747064 /nfs/dbraw/zinc/74/70/64/562747064.db2.gz KDAKERGIGVRSPM-FQLXRVMXSA-N 2 1 594.708 6.517 1 0 KKAFMP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540219 562755597 /nfs/dbraw/zinc/75/55/97/562755597.db2.gz AUVBVPKFTGJIST-PRURZLHWSA-N 3 1 805.956 8.848 1 0 KKAFMP C[NH+](CCOC(=O)CCCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540370 562755681 /nfs/dbraw/zinc/75/56/81/562755681.db2.gz YRMBXNMYKBLVGW-UHFFFAOYSA-N 2 1 807.735 6.936 1 0 KKAFMP C[NH+](CCOC(=O)CCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540370 562755682 /nfs/dbraw/zinc/75/56/82/562755682.db2.gz YRMBXNMYKBLVGW-UHFFFAOYSA-N 2 1 807.735 6.936 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095612956 562785944 /nfs/dbraw/zinc/78/59/44/562785944.db2.gz CISZZHPGYPWFDW-IVMGJWPSSA-N 3 1 769.923 8.406 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000096900361 562796842 /nfs/dbraw/zinc/79/68/42/562796842.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 2 1 751.880 8.854 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000096900361 562796843 /nfs/dbraw/zinc/79/68/43/562796843.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 2 1 751.880 8.854 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096900361 562796844 /nfs/dbraw/zinc/79/68/44/562796844.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 2 1 751.880 8.854 1 0 KKAFMP Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccc(N(C)C)cc45)cc3)cc2)nc(N)[nH+]1 ZINC000096927668 562802666 /nfs/dbraw/zinc/80/26/66/562802666.db2.gz RYKZNTSPBNUUQR-UHFFFAOYSA-N 2 1 504.598 5.721 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccccc1 ZINC000096939392 562804776 /nfs/dbraw/zinc/80/47/76/562804776.db2.gz QFIJRPPWZAIMLZ-AREMUKBSSA-N 2 1 565.061 5.434 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccccc1 ZINC000096939392 562804777 /nfs/dbraw/zinc/80/47/77/562804777.db2.gz QFIJRPPWZAIMLZ-AREMUKBSSA-N 2 1 565.061 5.434 1 0 KKAFMP COC(=O)[C@@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809857 /nfs/dbraw/zinc/80/98/57/562809857.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 2 1 604.839 7.468 1 0 KKAFMP COC(=O)[C@@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809858 /nfs/dbraw/zinc/80/98/58/562809858.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 2 1 604.839 7.468 1 0 KKAFMP 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 562810502 /nfs/dbraw/zinc/81/05/02/562810502.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 2 1 511.714 5.185 1 0 KKAFMP CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1C[NH+](Cc1ccccc1)CC3)C2)c1ccccc1 ZINC000101391276 562810503 /nfs/dbraw/zinc/81/05/03/562810503.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 2 1 511.714 5.185 1 0 KKAFMP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1C[NH+](Cc1ccccc1)CC3)C2)c1ccccc1 ZINC000101391276 562810504 /nfs/dbraw/zinc/81/05/04/562810504.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 2 1 511.714 5.185 1 0 KKAFMP CC(=O)N[C@@H](CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1C[N@H+](Cc1ccccc1)CC3)C2)c1ccccc1 ZINC000101391276 562810505 /nfs/dbraw/zinc/81/05/05/562810505.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 2 1 511.714 5.185 1 0 KKAFMP CC(=O)N[C@@H](CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1C[N@@H+](Cc1ccccc1)CC3)C2)c1ccccc1 ZINC000101391276 562810506 /nfs/dbraw/zinc/81/05/06/562810506.db2.gz ADIIDPCAUUQSIB-KJHMZRPRSA-N 2 1 511.714 5.185 1 0 KKAFMP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[N@@H+](C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795433 562830674 /nfs/dbraw/zinc/83/06/74/562830674.db2.gz OQQLKHVTFRESEW-BHYPCEDZSA-N 2 1 576.181 6.949 1 0 KKAFMP COc1ccc2c(c1)CC[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@@H+]3CCCc1ccccc1)C2 ZINC000135799553 562831068 /nfs/dbraw/zinc/83/10/68/562831068.db2.gz XHEDQUWNGKQHNB-NFQPKNNSSA-N 2 1 581.801 5.709 1 0 KKAFMP COc1ccc2c(c1)CC[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@H+]3CCCc1ccccc1)C2 ZINC000135799553 562831069 /nfs/dbraw/zinc/83/10/69/562831069.db2.gz XHEDQUWNGKQHNB-NFQPKNNSSA-N 2 1 581.801 5.709 1 0 KKAFMP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC[NH+]2CCN(C3CC3)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147324090 562839268 /nfs/dbraw/zinc/83/92/68/562839268.db2.gz STTMNXBGPHZZKN-LWPCESSHSA-N 2 1 630.636 5.169 1 0 KKAFMP 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 562846616 /nfs/dbraw/zinc/84/66/16/562846616.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 2 1 642.844 7.043 1 0 KKAFMP 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)cc4C[NH+]4CCOCC4)c3)CC2)c1 ZINC000167518033 562850914 /nfs/dbraw/zinc/85/09/14/562850914.db2.gz JHTLYFBBYQROBV-DZHYTCOUSA-N 2 1 764.943 6.179 1 0 KKAFMP O=c1c(CCCCCC[NH+]2CCN(c3ccccc3)CC2)c(O)c2ccccc2n1CCC[NH+]1CCCCC1 ZINC000169319125 562856193 /nfs/dbraw/zinc/85/61/93/562856193.db2.gz QJVMWDGVNXQZNK-PMERELPUSA-N 2 1 530.757 5.481 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000169369694 562864726 /nfs/dbraw/zinc/86/47/26/562864726.db2.gz HWBGBIQGALATDY-JUNREGNCSA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000169369694 562864727 /nfs/dbraw/zinc/86/47/27/562864727.db2.gz HWBGBIQGALATDY-JUNREGNCSA-N 2 1 680.934 7.419 1 0 KKAFMP CC[C@@H]1CCC[NH+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000169369694 562864728 /nfs/dbraw/zinc/86/47/28/562864728.db2.gz HWBGBIQGALATDY-JUNREGNCSA-N 2 1 680.934 7.419 1 0 KKAFMP C[NH+]1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000195459515 562871929 /nfs/dbraw/zinc/87/19/29/562871929.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 2 1 578.665 6.268 1 0 KKAFMP C[NH+]1CCc2cc(O)c3cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc4c(c2O3)OCO4)CC[N@H+]1C ZINC000195459515 562871930 /nfs/dbraw/zinc/87/19/30/562871930.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 2 1 578.665 6.268 1 0 KKAFMP O=C(c1ccc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)s1)N1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000299830757 562885358 /nfs/dbraw/zinc/88/53/58/562885358.db2.gz OFGCDFSZKFIXGZ-JPCUOKRQSA-N 2 1 600.873 5.819 1 0 KKAFMP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848924 562896495 /nfs/dbraw/zinc/89/64/95/562896495.db2.gz JWVSSJAMGAPEKH-UHFFFAOYSA-N 2 1 545.691 6.144 1 0 KKAFMP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CCNCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000473090684 562897577 /nfs/dbraw/zinc/89/75/77/562897577.db2.gz ACRRBPSGPZFHQR-UHFFFAOYSA-N 2 1 511.582 5.143 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152113 562901788 /nfs/dbraw/zinc/90/17/88/562901788.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 2 1 564.126 5.975 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152113 562901789 /nfs/dbraw/zinc/90/17/89/562901789.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 2 1 564.126 5.975 1 0 KKAFMP CCN(CC)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 ZINC000473215499 562904066 /nfs/dbraw/zinc/90/40/66/562904066.db2.gz SLDOEMMXEYOUDQ-QXGXYANZSA-N 2 1 573.870 6.829 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CCC[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 ZINC000473215499 562904067 /nfs/dbraw/zinc/90/40/67/562904067.db2.gz SLDOEMMXEYOUDQ-QXGXYANZSA-N 2 1 573.870 6.829 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CCC[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 ZINC000473215499 562904068 /nfs/dbraw/zinc/90/40/68/562904068.db2.gz SLDOEMMXEYOUDQ-QXGXYANZSA-N 2 1 573.870 6.829 1 0 KKAFMP COCCOCCOCC[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 ZINC000473215529 562904079 /nfs/dbraw/zinc/90/40/79/562904079.db2.gz YZANRAPUIYAEBV-KCAPOMIWSA-N 2 1 592.869 6.422 1 0 KKAFMP COCCOCCOCC[NH+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215529 562904080 /nfs/dbraw/zinc/90/40/80/562904080.db2.gz YZANRAPUIYAEBV-KCAPOMIWSA-N 2 1 592.869 6.422 1 0 KKAFMP COCCOCCOCC[NH+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215529 562904081 /nfs/dbraw/zinc/90/40/81/562904081.db2.gz YZANRAPUIYAEBV-KCAPOMIWSA-N 2 1 592.869 6.422 1 0 KKAFMP CCN(CC)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 ZINC000473236449 562904677 /nfs/dbraw/zinc/90/46/77/562904677.db2.gz ITKASYXFOFGZNO-CCMYSEMPSA-N 2 1 587.897 7.076 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236449 562904678 /nfs/dbraw/zinc/90/46/78/562904678.db2.gz ITKASYXFOFGZNO-CCMYSEMPSA-N 2 1 587.897 7.076 1 0 KKAFMP CCN(CC)C(=O)C[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236449 562904679 /nfs/dbraw/zinc/90/46/79/562904679.db2.gz ITKASYXFOFGZNO-CCMYSEMPSA-N 2 1 587.897 7.076 1 0 KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[NH+]2C)OCO4)cc1 ZINC000085541015 565139113 /nfs/dbraw/zinc/13/91/13/565139113.db2.gz DNVRACCNTZAQFE-ACHIHNKUSA-N 2 1 652.788 6.785 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000085541015 565139118 /nfs/dbraw/zinc/13/91/18/565139118.db2.gz DNVRACCNTZAQFE-ACHIHNKUSA-N 2 1 652.788 6.785 1 0 biogenic,in-vitro KKAFMP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@@H+]2C)OCO4)cc1 ZINC000085541015 565139125 /nfs/dbraw/zinc/13/91/25/565139125.db2.gz DNVRACCNTZAQFE-ACHIHNKUSA-N 2 1 652.788 6.785 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000085849252 565170478 /nfs/dbraw/zinc/17/04/78/565170478.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000085849252 565170483 /nfs/dbraw/zinc/17/04/83/565170483.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000085849252 565170488 /nfs/dbraw/zinc/17/04/88/565170488.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 2 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1O)[C@H]1C[NH+](C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[N@H+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173551 /nfs/dbraw/zinc/17/35/51/565173551.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 2 1 636.789 6.169 1 0 biogenic,in-vitro KKAFMP COc1cc2c(cc1O)[C@H]1C[NH+](C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173554 /nfs/dbraw/zinc/17/35/54/565173554.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 2 1 636.789 6.169 1 0 biogenic,in-vitro KKAFMP C[NH+](C)CCCOc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(OCCC[NH+](C)C)cc6)[nH]c5c4)ccc3[nH]2)cc1 ZINC000003927239 561686794 /nfs/dbraw/zinc/68/67/94/561686794.db2.gz MZGMYDKOHYOXKR-UHFFFAOYSA-N 2 1 588.756 7.101 1 0 in-vivo KKAFMP C[NH+](C)CCCOc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(OCCC[NH+](C)C)cc6)[nH]c5c4)cc3[nH]2)cc1 ZINC000003927239 561686796 /nfs/dbraw/zinc/68/67/96/561686796.db2.gz MZGMYDKOHYOXKR-UHFFFAOYSA-N 2 1 588.756 7.101 1 0 in-vivo KKAFMP O=C(NCCC[NH+](CCCC[N@H+](CCCNC(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F ZINC000005834429 561698919 /nfs/dbraw/zinc/69/89/19/561698919.db2.gz XQSNHBODALMVGJ-UHFFFAOYSA-N 2 1 630.718 5.773 1 0 KKAFMP C[NH+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000005888491 561699942 /nfs/dbraw/zinc/69/99/42/561699942.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 2 1 578.665 6.268 1 0 KKAFMP C[NH+]1CCc2cc(O)c3cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CC[N@H+]1C ZINC000005888491 561699943 /nfs/dbraw/zinc/69/99/43/561699943.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 2 1 578.665 6.268 1 0 KKAFMP CC[NH+](CC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000022453292 561759435 /nfs/dbraw/zinc/75/94/35/561759435.db2.gz TYSIODYUHDFTRK-YIKNKFAXSA-N 2 1 532.764 5.214 1 0 KKAFMP COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026571178 561798194 /nfs/dbraw/zinc/79/81/94/561798194.db2.gz IVVCZKUEEUXLCC-QNGWXLTQSA-N 2 1 724.730 5.396 1 0 KKAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(C(F)(F)F)cc1Cl ZINC000026577650 561802211 /nfs/dbraw/zinc/80/22/11/561802211.db2.gz RGELNGVLMUXMQG-UHFFFAOYSA-N 2 1 604.526 5.349 1 0 KKAFMP C[N@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578545 561803576 /nfs/dbraw/zinc/80/35/76/561803576.db2.gz GUOKNTMJTLPMSI-RUZDIDTESA-N 2 1 557.587 6.420 1 0 KKAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(Cl)cc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672250 561812707 /nfs/dbraw/zinc/81/27/07/561812707.db2.gz MUHNHFMHKZGXIB-UHFFFAOYSA-N 2 1 548.518 6.999 1 0 KKAFMP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc(C)[nH+]c(C)c2)c1 ZINC000026988465 561832222 /nfs/dbraw/zinc/83/22/22/561832222.db2.gz GTJRPDQITAQKGK-PKWVSMGWSA-N 2 1 590.856 8.078 1 0 KKAFMP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998182 561833732 /nfs/dbraw/zinc/83/37/32/561833732.db2.gz QDLKZCSBLHDQJF-JPWVNMMBSA-N 2 1 703.994 6.716 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421194 561857633 /nfs/dbraw/zinc/85/76/33/561857633.db2.gz XWGIRFFCAHGQSB-FLTDCMPJSA-N 2 1 682.262 5.006 1 0 KKAFMP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425214 561858209 /nfs/dbraw/zinc/85/82/09/561858209.db2.gz KJKZOKVFJPDHQM-ZFLFPPOXSA-N 2 1 679.906 6.291 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2ncccc2C1 ZINC000027638407 561874870 /nfs/dbraw/zinc/87/48/70/561874870.db2.gz ICSKSUDWIFZFHG-MUUNZHRXSA-N 2 1 513.792 5.570 1 0 KKAFMP CCC[NH+](CCCCCC[N@H+](CCC)[C@@H]1CCc2ncccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027638407 561874871 /nfs/dbraw/zinc/87/48/71/561874871.db2.gz ICSKSUDWIFZFHG-MUUNZHRXSA-N 2 1 513.792 5.570 1 0 KKAFMP CCC[NH+](CCCCCC[N@@H+](CCC)[C@@H]1CCc2ncccc2C1)CCc1ccc(S(C)(=O)=O)cc1 ZINC000027638407 561874873 /nfs/dbraw/zinc/87/48/73/561874873.db2.gz ICSKSUDWIFZFHG-MUUNZHRXSA-N 2 1 513.792 5.570 1 0 KKAFMP CSc1ccc(CNCCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000027642945 561875595 /nfs/dbraw/zinc/87/55/95/561875595.db2.gz MQUJGWCQAPOSDI-UHFFFAOYSA-N 3 1 516.865 5.920 1 0 KKAFMP OCCC[NH2+]CCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C[N@H+](Cc2ccccc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000027843383 561885316 /nfs/dbraw/zinc/88/53/16/561885316.db2.gz UFYBFZKGIOUKOB-UHFFFAOYSA-N 2 1 644.704 7.296 1 0 KKAFMP OCCC[NH2+]CCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C[N@@H+](Cc2ccccc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000027843383 561885318 /nfs/dbraw/zinc/88/53/18/561885318.db2.gz UFYBFZKGIOUKOB-UHFFFAOYSA-N 2 1 644.704 7.296 1 0 KKAFMP C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374280 561918950 /nfs/dbraw/zinc/91/89/50/561918950.db2.gz ACJLOAVPAVWLDZ-MIKVKYOKSA-N 2 1 668.257 5.463 1 0 KKAFMP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523470 561930157 /nfs/dbraw/zinc/93/01/57/561930157.db2.gz XGUXGMNSUSHHSV-IZZNHLLZSA-N 3 1 642.719 9.591 1 0 in-vivo KKAFMP O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1[NH+]1CCCCC1 ZINC000028570004 561938440 /nfs/dbraw/zinc/93/84/40/561938440.db2.gz KCDRUJOXDKLRND-VSGBNLITSA-N 2 1 520.117 6.732 1 0 KKAFMP CC1CC[NH+](CCC(=O)N[C@H]2C[C@H]3C[C@@](c4cccc(O)c4)(C2)[C@@H](C)C[N@H+]3CCCc2ccccc2)CC1 ZINC000028571138 561939297 /nfs/dbraw/zinc/93/92/97/561939297.db2.gz PXFXMBOPCYLKTA-FKOIDOADSA-N 2 1 517.758 5.374 1 0 KKAFMP COc1ccc2ccccc2c1CCCCN1CC[NH+](C[C@H](c2ccc(F)cc2)C2CC[NH+](C(C)C)CC2)CC1 ZINC000028645906 561944598 /nfs/dbraw/zinc/94/45/98/561944598.db2.gz YQAIQMBVUVSWQU-UUWRZZSWSA-N 2 1 545.787 6.832 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645913 561944651 /nfs/dbraw/zinc/94/46/51/561944651.db2.gz PSEZXKUUBYWUDL-DHUJRADRSA-N 2 1 527.772 6.947 1 0 KKAFMP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028645973 561944771 /nfs/dbraw/zinc/94/47/71/561944771.db2.gz KDCUNRVJJBHDMD-UMSFTDKQSA-N 2 1 545.762 7.086 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCC[NH+](C)Cc1ccncc1 ZINC000028714102 561954625 /nfs/dbraw/zinc/95/46/25/561954625.db2.gz MGZNEHSJDBFOMJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@H+](C)Cc1ccncc1 ZINC000028714102 561954628 /nfs/dbraw/zinc/95/46/28/561954628.db2.gz MGZNEHSJDBFOMJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@@H+](C)Cc1ccncc1 ZINC000028714102 561954629 /nfs/dbraw/zinc/95/46/29/561954629.db2.gz MGZNEHSJDBFOMJ-WWEBLFKJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714099 561954687 /nfs/dbraw/zinc/95/46/87/561954687.db2.gz QHJDMNHCYRMBOT-QCVXTWCJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@H+](C)Cc1ccccn1 ZINC000028714099 561954689 /nfs/dbraw/zinc/95/46/89/561954689.db2.gz QHJDMNHCYRMBOT-QCVXTWCJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCCCC[N@@H+](C)Cc1ccccn1 ZINC000028714099 561954690 /nfs/dbraw/zinc/95/46/90/561954690.db2.gz QHJDMNHCYRMBOT-QCVXTWCJSA-N 2 1 587.853 5.911 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@@H+](C)CCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714096 561954706 /nfs/dbraw/zinc/95/47/06/561954706.db2.gz WQIZDPGNODXVFZ-LTGROYGMSA-N 2 1 559.799 5.131 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCC[N@H+](C)Cc1ccccn1 ZINC000028714096 561954707 /nfs/dbraw/zinc/95/47/07/561954707.db2.gz WQIZDPGNODXVFZ-LTGROYGMSA-N 2 1 559.799 5.131 1 0 KKAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[NH+](C)CCCCCCCC[N@@H+](C)Cc1ccccn1 ZINC000028714096 561954708 /nfs/dbraw/zinc/95/47/08/561954708.db2.gz WQIZDPGNODXVFZ-LTGROYGMSA-N 2 1 559.799 5.131 1 0 KKAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@@H+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864183 561972705 /nfs/dbraw/zinc/97/27/05/561972705.db2.gz NJYDXWWAPTWRLL-AREMUKBSSA-N 2 1 564.721 5.022 1 0 KKAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864183 561972707 /nfs/dbraw/zinc/97/27/07/561972707.db2.gz NJYDXWWAPTWRLL-AREMUKBSSA-N 2 1 564.721 5.022 1 0 KKAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864183 561972709 /nfs/dbraw/zinc/97/27/09/561972709.db2.gz NJYDXWWAPTWRLL-AREMUKBSSA-N 2 1 564.721 5.022 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953696 561982505 /nfs/dbraw/zinc/98/25/05/561982505.db2.gz OVARUEQUPRIBML-IHLOFXLRSA-N 2 1 537.192 5.401 1 0 KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3n(C)c21 ZINC000028970237 561985732 /nfs/dbraw/zinc/98/57/32/561985732.db2.gz LANFUCOONSVQMQ-URBSAYNRSA-N 2 1 592.828 6.875 1 0 in-vivo KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@@H+]7[C@H]45)C6)c3n(C)c21 ZINC000028970237 561985734 /nfs/dbraw/zinc/98/57/34/561985734.db2.gz LANFUCOONSVQMQ-URBSAYNRSA-N 2 1 592.828 6.875 1 0 in-vivo KKAFMP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[N@H+]7[C@H]45)C6)c3n(C)c21 ZINC000028970237 561985736 /nfs/dbraw/zinc/98/57/36/561985736.db2.gz LANFUCOONSVQMQ-URBSAYNRSA-N 2 1 592.828 6.875 1 0 in-vivo KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953957 561982729 /nfs/dbraw/zinc/98/27/29/561982729.db2.gz NDTAGRYZZLDJDF-WDYNHAJCSA-N 2 1 555.182 5.540 1 0 KKAFMP CC(=O)Nc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953989 561982742 /nfs/dbraw/zinc/98/27/42/561982742.db2.gz GKBZIDAPUQDQQA-ZWXJPIIXSA-N 2 1 594.244 5.359 1 0 KKAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4C(F)(F)F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953965 561982744 /nfs/dbraw/zinc/98/27/44/561982744.db2.gz MYAVYVFIGUUHEJ-WDYNHAJCSA-N 2 1 605.189 6.420 1 0 KKAFMP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055900 561994967 /nfs/dbraw/zinc/99/49/67/561994967.db2.gz XNVOHDDYQCZZQX-CZNDPXEESA-N 2 1 506.775 7.236 1 0 in-vivo KKAFMP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cc[nH+]c4C)c3=O)CC2)C(C)C)c1 ZINC000029063577 561996318 /nfs/dbraw/zinc/99/63/18/561996318.db2.gz ULSQCYSSRBVLAT-LJAQVGFWSA-N 2 1 531.701 5.261 1 0 KKAFMP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029130667 562002732 /nfs/dbraw/zinc/00/27/32/562002732.db2.gz ADDYZXQTBNTXEL-QXIHQKPUSA-N 2 1 600.223 5.017 1 0 KKAFMP CN(C[C@@H](CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334570 562014189 /nfs/dbraw/zinc/01/41/89/562014189.db2.gz JVIZOQMXVALTOM-AREMUKBSSA-N 2 1 536.547 6.376 1 0 KKAFMP O=C(CC[NH+]1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029398354 562019072 /nfs/dbraw/zinc/01/90/72/562019072.db2.gz FZWBQCHFFBIVSI-UHFFFAOYSA-N 2 1 591.587 6.121 1 0 KKAFMP CCN(CC)C(=S)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485596 562028269 /nfs/dbraw/zinc/02/82/69/562028269.db2.gz IGTFZSOMLHHHPK-WMPKNSHKSA-N 2 1 502.838 5.449 1 0 KKAFMP CCN(CC)C(=S)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485596 562028270 /nfs/dbraw/zinc/02/82/70/562028270.db2.gz IGTFZSOMLHHHPK-WMPKNSHKSA-N 2 1 502.838 5.449 1 0 KKAFMP CCN(CC)C(=S)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485596 562028272 /nfs/dbraw/zinc/02/82/72/562028272.db2.gz IGTFZSOMLHHHPK-WMPKNSHKSA-N 2 1 502.838 5.449 1 0 KKAFMP Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3C[N@@H+](CCc3ccccn3)CC4)CC2)c1 ZINC000036093031 562047007 /nfs/dbraw/zinc/04/70/07/562047007.db2.gz LHEHOKKOUQZWGF-UHFFFAOYSA-N 2 1 514.117 5.503 1 0 KKAFMP Clc1cccc(N2CC[NH+](CCCn3c4ccccc4c4c3C[N@H+](CCc3ccccn3)CC4)CC2)c1 ZINC000036093031 562047009 /nfs/dbraw/zinc/04/70/09/562047009.db2.gz LHEHOKKOUQZWGF-UHFFFAOYSA-N 2 1 514.117 5.503 1 0 KKAFMP O=C(C[N@@H+]1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351653 562058809 /nfs/dbraw/zinc/05/88/09/562058809.db2.gz AOGVTUDRZQZUJZ-MGBGTMOVSA-N 2 1 631.475 9.160 1 0 KKAFMP O=C(C[N@H+]1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351653 562058811 /nfs/dbraw/zinc/05/88/11/562058811.db2.gz AOGVTUDRZQZUJZ-MGBGTMOVSA-N 2 1 631.475 9.160 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000040404028 562074844 /nfs/dbraw/zinc/07/48/44/562074844.db2.gz JUXILMXYDLWECU-OBWKWBNQSA-N 2 1 518.698 5.066 1 0 KKAFMP CC1CC[NH+]([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000040563991 562077776 /nfs/dbraw/zinc/07/77/76/562077776.db2.gz GWEWFPMLAGKWMJ-FQLXRVMXSA-N 2 1 534.144 6.978 1 0 KKAFMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000040662653 562078824 /nfs/dbraw/zinc/07/88/24/562078824.db2.gz KTCPZYZGBDYZCM-ACHIHNKUSA-N 2 1 546.800 5.514 1 0 KKAFMP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccc(C(=[NH2+])NC(C)C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000042807133 562090037 /nfs/dbraw/zinc/09/00/37/562090037.db2.gz WBAKRNQLBTYHKM-UHFFFAOYSA-N 2 1 582.756 7.205 1 0 KKAFMP COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)[N@@H+](C)CC4 ZINC000095485898 560061920 /nfs/dbraw/zinc/06/19/20/560061920.db2.gz DYGNICRHRUENKM-WUFINQPMSA-N 2 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMP Cc1[nH+]ccn1C[C@@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043070419 562645530 /nfs/dbraw/zinc/64/55/30/562645530.db2.gz DSZJLBHBEBATRS-GDLZYMKVSA-N 2 1 549.641 6.161 1 0 KKAFMP CC(C)[NH2+]CCC[NH+](CCCC[N@H+](CCC[NH2+]C(C)C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000043523788 562648858 /nfs/dbraw/zinc/64/88/58/562648858.db2.gz HLXYDWIRUJCSDA-UHFFFAOYSA-N 4 1 566.878 7.854 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281406 562653086 /nfs/dbraw/zinc/65/30/86/562653086.db2.gz RJMPZVNRFHISRQ-LRCGEFFCSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2CCC[C@@H]3c2[nH]c3ccccc3c2CC[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000044281406 562653087 /nfs/dbraw/zinc/65/30/87/562653087.db2.gz RJMPZVNRFHISRQ-LRCGEFFCSA-N 2 1 564.862 8.377 1 0 KKAFMP CC[C@H]1CCC[NH+](CCc2c3ccccc3n3c2CCC[C@@H]3c2[nH]c3ccccc3c2CC[N@H+]2CCC[C@H](CC)C2)C1 ZINC000044281406 562653088 /nfs/dbraw/zinc/65/30/88/562653088.db2.gz RJMPZVNRFHISRQ-LRCGEFFCSA-N 2 1 564.862 8.377 1 0 KKAFMP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH2+][C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000044305562 562653500 /nfs/dbraw/zinc/65/35/00/562653500.db2.gz ZETVLYHFBVWEKQ-VSGBNLITSA-N 2 1 592.692 6.532 1 0 KKAFMP C[NH+](C)CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044361139 562655709 /nfs/dbraw/zinc/65/57/09/562655709.db2.gz KTAGYIIOIMNXTN-UHFFFAOYSA-N 2 1 537.535 5.785 1 0 KKAFMP CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)c1 ZINC000045201244 562659003 /nfs/dbraw/zinc/65/90/03/562659003.db2.gz LSXDEHPAPIIKDD-UHFFFAOYSA-N 2 1 523.658 6.572 1 0 KKAFMP COc1cc(NCC2(C[NH2+]Cc3cn(Cc4ccccc4)c4ccccc34)CCCCC2)[nH+]c2ccccc21 ZINC000045201698 562659065 /nfs/dbraw/zinc/65/90/65/562659065.db2.gz HYPQPFBYCHZLJN-UHFFFAOYSA-N 2 1 518.705 7.399 1 0 KKAFMP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)c3)CC2)CC1 ZINC000045202906 562659264 /nfs/dbraw/zinc/65/92/64/562659264.db2.gz OOIAAXQTVVBHOF-UHFFFAOYSA-N 2 1 533.642 6.128 1 0 KKAFMP Cc1cc([C@@H]2CCCC[N@H+]2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045301744 562660510 /nfs/dbraw/zinc/66/05/10/562660510.db2.gz RZWZITKJKXKDSG-HKBQPEDESA-N 2 1 535.732 6.378 1 0 KKAFMP O=S(=O)(Nc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045302177 562660609 /nfs/dbraw/zinc/66/06/09/562660609.db2.gz VOUSMHMYYCKHSK-UHFFFAOYSA-N 2 1 519.711 5.773 1 0 KKAFMP Clc1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccc(Cl)cc4)C2[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000045321886 562661061 /nfs/dbraw/zinc/66/10/61/562661061.db2.gz IEHODYGTQZFDPN-KEANYWJXSA-N 2 1 533.587 8.196 1 0 KKAFMP O=C(c1ccccc1)N1COC[C@](CC[NH+]2CCC([NH+]3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045323665 562661173 /nfs/dbraw/zinc/66/11/73/562661173.db2.gz RCOHBGZMIZEYKM-MUUNZHRXSA-N 2 1 516.513 5.312 1 0 KKAFMP c1sc(C[NH2+]CCN2CCOCC2)nc1-c1ccc2c(Nc3ccc(Oc4ccccc4)cc3)cc[nH+]c2c1 ZINC000048308777 562663121 /nfs/dbraw/zinc/66/31/21/562663121.db2.gz NALIJKYPYIIEPT-UHFFFAOYSA-N 2 1 537.689 6.316 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC4 ZINC000049613940 562666473 /nfs/dbraw/zinc/66/64/73/562666473.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 2 1 692.853 8.105 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC4 ZINC000049613940 562666474 /nfs/dbraw/zinc/66/64/74/562666474.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 2 1 692.853 8.105 1 0 KKAFMP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049613940 562666475 /nfs/dbraw/zinc/66/64/75/562666475.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 2 1 692.853 8.105 1 0 KKAFMP CC[C@@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049775268 562679005 /nfs/dbraw/zinc/67/90/05/562679005.db2.gz JOVYDFKTLBYDPY-HJIFFOSASA-N 3 1 633.929 6.113 1 0 KKAFMP O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@]1(c3ccc(Cl)c(Cl)c3)CC[N@@H+](Cc3ccco3)C1)CC2 ZINC000049881468 562690799 /nfs/dbraw/zinc/69/07/99/562690799.db2.gz JEFCMVCLMZSGMS-PMERELPUSA-N 2 1 567.561 5.939 1 0 KKAFMP COc1cc(N[C@@H]2CCC[C@H]([NH2+]Cc3cn(S(=O)(=O)c4ccccc4)c4ccccc34)C2)[nH+]c2ccccc21 ZINC000049917851 562693991 /nfs/dbraw/zinc/69/39/91/562693991.db2.gz CRKRTZSDQVCDCH-BJKOFHAPSA-N 2 1 540.689 5.948 1 0 KKAFMP C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)[NH2+]1 ZINC000049917862 562694029 /nfs/dbraw/zinc/69/40/29/562694029.db2.gz GRBGQMNUHSAYID-NHCUHLMSSA-N 2 1 577.655 5.716 1 0 KKAFMP C[NH2+]C(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 ZINC000058583901 562700202 /nfs/dbraw/zinc/70/02/02/562700202.db2.gz UATRFBUIAAPMMP-MWSYKCOMSA-N 2 1 602.166 5.708 1 0 KKAFMP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[N@H+]4CC[C@@H]5CCCC[C@H]5C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000058631453 562701142 /nfs/dbraw/zinc/70/11/42/562701142.db2.gz YDBRDSDKSOYGNU-YTMVLYRLSA-N 2 1 750.998 5.968 1 0 KKAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCC[NH+]2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077228 562710255 /nfs/dbraw/zinc/71/02/55/562710255.db2.gz SNXPYOZDXRKEER-SSEXGKCCSA-N 2 1 525.737 6.209 1 0 KKAFMP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@@H+](Cc3ccccc3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118070 562723413 /nfs/dbraw/zinc/72/34/13/562723413.db2.gz XUZDGFZXJNROCP-UHFFFAOYSA-N 3 1 615.867 5.500 1 0 KKAFMP CC[N@H+](Cc1ccncc1)Cc1cccc(-c2ccc(CC[NH2+]CCc3ccc(O)c4[nH]c(=O)sc43)cc2)c1 ZINC000073197804 562735482 /nfs/dbraw/zinc/73/54/82/562735482.db2.gz LVCVCTIAAMQWIR-UHFFFAOYSA-N 2 1 538.717 5.754 1 0 KKAFMP CC[N@@H+](Cc1ccncc1)Cc1cccc(-c2ccc(CC[NH2+]CCc3ccc(O)c4[nH]c(=O)sc43)cc2)c1 ZINC000073197804 562735483 /nfs/dbraw/zinc/73/54/83/562735483.db2.gz LVCVCTIAAMQWIR-UHFFFAOYSA-N 2 1 538.717 5.754 1 0 KKAFMP C[C@H](Cc1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)sc21 ZINC000073199509 562736030 /nfs/dbraw/zinc/73/60/30/562736030.db2.gz WONPWDMMWFWEFC-GYCJOSAFSA-N 2 1 546.520 5.189 1 0 KKAFMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)sc32)cc1)c1ccccc1 ZINC000082155686 562740557 /nfs/dbraw/zinc/74/05/57/562740557.db2.gz XNZJTBRCBWPOTP-PBBNMVCDSA-N 2 1 539.701 5.679 1 0 KKAFMP O=c1[nH]c2c(s1)c(CC[NH2+]CCc1cccc(-c3cccc(C[NH2+]Cc4ccccc4)c3)c1)ccc2O ZINC000082159895 562741122 /nfs/dbraw/zinc/74/11/22/562741122.db2.gz UGGHXKYYWLVRAE-UHFFFAOYSA-N 2 1 509.675 5.627 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)CCc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084652105 562746400 /nfs/dbraw/zinc/74/64/00/562746400.db2.gz BQJYGXHBKYDNDO-SBVPHTNJSA-N 2 1 687.864 5.900 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084654841 562747363 /nfs/dbraw/zinc/74/73/63/562747363.db2.gz AEPMTVIAOAXCNH-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084654841 562747364 /nfs/dbraw/zinc/74/73/64/562747364.db2.gz AEPMTVIAOAXCNH-YHZWMNSLSA-N 2 1 659.810 5.815 1 0 KKAFMP [NH3+]CCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095539688 562755218 /nfs/dbraw/zinc/75/52/18/562755218.db2.gz PDNGGOJOABECHQ-PXLJZGITSA-N 2 1 793.200 5.894 1 0 KKAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095571654 562769177 /nfs/dbraw/zinc/76/91/77/562769177.db2.gz WURITZSMFADXAJ-YXCIKLIPSA-N 2 1 576.866 7.290 1 0 KKAFMP Cc1cc(N2CC[NH+](C)CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(C)cc(N5CC[NH+](C)CC5)n4)cc3)cc2)n1 ZINC000095594325 562776431 /nfs/dbraw/zinc/77/64/31/562776431.db2.gz AQCPIRFDWIJTBW-UHFFFAOYSA-N 2 1 666.875 5.502 1 0 KKAFMP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095606940 562782536 /nfs/dbraw/zinc/78/25/36/562782536.db2.gz CISZZHPGYPWFDW-XMEMUAMXSA-N 3 1 769.923 8.406 1 0 KKAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000096319070 562796645 /nfs/dbraw/zinc/79/66/45/562796645.db2.gz TWSXEPWFFLQDCT-HEWHEBQFSA-N 2 1 614.234 5.052 1 0 KKAFMP CC(C)Sc1nnc(-c2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933313 562803608 /nfs/dbraw/zinc/80/36/08/562803608.db2.gz HWTTVFJGRYDBMJ-UHFFFAOYSA-N 2 1 514.743 5.987 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccccc1 ZINC000096939391 562804756 /nfs/dbraw/zinc/80/47/56/562804756.db2.gz QFIJRPPWZAIMLZ-SANMLTNESA-N 2 1 565.061 5.434 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccccc1 ZINC000096939391 562804757 /nfs/dbraw/zinc/80/47/57/562804757.db2.gz QFIJRPPWZAIMLZ-SANMLTNESA-N 2 1 565.061 5.434 1 0 KKAFMP C[N@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Cl)cc1 ZINC000096939389 562804769 /nfs/dbraw/zinc/80/47/69/562804769.db2.gz NKPNQEOGFCIQAF-SANMLTNESA-N 2 1 599.506 6.087 1 0 KKAFMP C[N@@H+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Cl)cc1 ZINC000096939389 562804770 /nfs/dbraw/zinc/80/47/70/562804770.db2.gz NKPNQEOGFCIQAF-SANMLTNESA-N 2 1 599.506 6.087 1 0 KKAFMP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)C(CCCCC)C1C(=O)OCC[NH+](C)Cc1ccccc1 ZINC000100033937 562806263 /nfs/dbraw/zinc/80/62/63/562806263.db2.gz ZRTPUCOSWVPGMB-JLPMCGNQSA-N 3 1 561.767 6.525 1 0 KKAFMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809834 /nfs/dbraw/zinc/80/98/34/562809834.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 2 1 576.785 6.851 1 0 KKAFMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809835 /nfs/dbraw/zinc/80/98/35/562809835.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 2 1 576.785 6.851 1 0 KKAFMP COC(=O)[C@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809924 /nfs/dbraw/zinc/80/99/24/562809924.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 2 1 604.839 7.468 1 0 KKAFMP COC(=O)[C@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809925 /nfs/dbraw/zinc/80/99/25/562809925.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 2 1 604.839 7.468 1 0 KKAFMP C[N@H+]1CCC[C@H]1CC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696339 562811846 /nfs/dbraw/zinc/81/18/46/562811846.db2.gz UAUUAICBVJBOLW-QHCPKHFHSA-N 2 1 610.780 6.067 1 0 KKAFMP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000101892967 562812319 /nfs/dbraw/zinc/81/23/19/562812319.db2.gz BQIVPPWUXSHORF-XBYDVLEOSA-N 2 1 610.843 5.579 1 0 KKAFMP CCC[N@@H+](CCCC[NH+]1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253155 562820490 /nfs/dbraw/zinc/82/04/90/562820490.db2.gz DEEUBMPGKJRJJU-AREMUKBSSA-N 2 1 519.759 5.270 1 0 KKAFMP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524259 562843663 /nfs/dbraw/zinc/84/36/63/562843663.db2.gz XOWSSUSVVZAUSO-AQOUDTPCSA-N 2 1 717.786 6.115 1 0 KKAFMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524259 562843664 /nfs/dbraw/zinc/84/36/64/562843664.db2.gz XOWSSUSVVZAUSO-AQOUDTPCSA-N 2 1 717.786 6.115 1 0 KKAFMP O=C([C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524259 562843665 /nfs/dbraw/zinc/84/36/65/562843665.db2.gz XOWSSUSVVZAUSO-AQOUDTPCSA-N 2 1 717.786 6.115 1 0 KKAFMP CC[NH+](CCCOc1cc(=O)c2c(O)c(-c3ccc(OCCC[N@H+](CC)Cc4ccccc4OC)cc3)coc-2c1)Cc1ccccc1OC ZINC000150599231 562846966 /nfs/dbraw/zinc/84/69/66/562846966.db2.gz OUZOUVHYPWUOIP-UHFFFAOYSA-N 2 1 680.842 7.765 1 0 KKAFMP CC[NH+](CCCOc1ccc(-c2coc3cc(OCCC[N@H+](CC)Cc4ccccc4OC)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000150599231 562846967 /nfs/dbraw/zinc/84/69/67/562846967.db2.gz OUZOUVHYPWUOIP-UHFFFAOYSA-N 2 1 680.842 7.765 1 0 KKAFMP CC[NH+](CCCOc1ccc(-c2coc3cc(OCCC[N@@H+](CC)Cc4ccccc4OC)cc(=O)c-3c2O)cc1)Cc1ccccc1OC ZINC000150599231 562846968 /nfs/dbraw/zinc/84/69/68/562846968.db2.gz OUZOUVHYPWUOIP-UHFFFAOYSA-N 2 1 680.842 7.765 1 0 KKAFMP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)C[N@@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296752 562852467 /nfs/dbraw/zinc/85/24/67/562852467.db2.gz MSTVIUSEPJSWBX-CMACJVPWSA-N 2 1 882.411 8.498 1 0 KKAFMP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@H]3C2)ccc1O ZINC000169323333 562857019 /nfs/dbraw/zinc/85/70/19/562857019.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 2 1 729.340 6.570 1 0 KKAFMP Cc1[nH+]ccn1Cc1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698436 562867237 /nfs/dbraw/zinc/86/72/37/562867237.db2.gz FKWAPTAZKOGWII-UHFFFAOYSA-N 2 1 584.750 5.121 1 0 KKAFMP C[N@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874287 /nfs/dbraw/zinc/87/42/87/562874287.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N 2 1 520.008 6.199 1 0 KKAFMP O=c1cc(C[NH2+]CCCCNc2cc[nH+]c3cc(Cl)ccc23)n(C2CC2)cc1OCc1ccccc1 ZINC000299839713 562888282 /nfs/dbraw/zinc/88/82/82/562888282.db2.gz SSGFFPVBFUTSGH-UHFFFAOYSA-N 2 1 503.046 5.946 1 0 KKAFMP O=c1ccc2ccc(OCCCCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863172 562893775 /nfs/dbraw/zinc/89/37/75/562893775.db2.gz ORSILIXUUUCZAS-UHFFFAOYSA-N 2 1 568.762 6.279 1 0 KKAFMP C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299866180 562894586 /nfs/dbraw/zinc/89/45/86/562894586.db2.gz OQCFGGOXRNFFJG-VTBMCNPUSA-N 2 1 545.683 5.790 1 0 KKAFMP C[C@H](C[NH+](C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299866179 562894613 /nfs/dbraw/zinc/89/46/13/562894613.db2.gz OQCFGGOXRNFFJG-LQVDNHGOSA-N 2 1 545.683 5.790 1 0 KKAFMP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299867315 562894858 /nfs/dbraw/zinc/89/48/58/562894858.db2.gz QDLRHMZRLCCZQC-LABVJWKOSA-N 2 1 557.694 5.936 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159092 562902647 /nfs/dbraw/zinc/90/26/47/562902647.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 2 1 550.099 5.321 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159092 562902648 /nfs/dbraw/zinc/90/26/48/562902648.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 2 1 550.099 5.321 1 0 KKAFMP CC[NH+](CC)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc32)CC1 ZINC000473179788 562903503 /nfs/dbraw/zinc/90/35/03/562903503.db2.gz ZIHDSIALAURIIH-XYWHTSSQSA-N 2 1 510.078 6.206 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)CC(C)C)c(N[C@H]4CC[C@H]([NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200890 562903801 /nfs/dbraw/zinc/90/38/01/562903801.db2.gz JDYQGZNDVPWOBA-MEMLXQNLSA-N 2 1 510.078 6.205 1 0 KKAFMP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473201020 562903811 /nfs/dbraw/zinc/90/38/11/562903811.db2.gz PYEKSCSBXYVZAI-CYWCHRQTSA-N 2 1 508.062 5.816 1 0 KKAFMP CCN(c1cc(-c2ccc(C[N@H+]3CCCN(C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245325 562904962 /nfs/dbraw/zinc/90/49/62/562904962.db2.gz YTLCPZXQXZISIH-AQOCXMLWSA-N 2 1 640.917 6.146 1 0 KKAFMP CCN(c1cc(-c2ccc(CN3CCC[N@H+](C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245325 562904963 /nfs/dbraw/zinc/90/49/63/562904963.db2.gz YTLCPZXQXZISIH-AQOCXMLWSA-N 2 1 640.917 6.146 1 0 KKAFMP CCN(c1cc(-c2ccc(CN3CCC[N@@H+](C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245325 562904964 /nfs/dbraw/zinc/90/49/64/562904964.db2.gz YTLCPZXQXZISIH-AQOCXMLWSA-N 2 1 640.917 6.146 1 0 KKAFMP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000085509425 565133333 /nfs/dbraw/zinc/13/33/33/565133333.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000085509425 565133338 /nfs/dbraw/zinc/13/33/38/565133338.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000085509425 565133346 /nfs/dbraw/zinc/13/33/46/565133346.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 2 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMP