smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 ZINC000001727968 561679357 /nfs/dbraw/zinc/67/93/57/561679357.db2.gz HYTUTVAJULMQCQ-UHFFFAOYSA-N 2 2 582.897 5.179 1 0 KKAFLP COc1ccc2cc(C[NH2+]CCCN3CC[NH+](CCC[NH2+]Cc4ccc5cc(OC)ccc5c4)CC3)ccc2c1 ZINC000019370351 561758576 /nfs/dbraw/zinc/75/85/76/561758576.db2.gz CZEZGOBQJKVGIS-UHFFFAOYSA-N 3 2 540.752 5.287 1 0 KKAFLP Clc1ccc2c(NCCCCCCCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026263500 561775865 /nfs/dbraw/zinc/77/58/65/561775865.db2.gz FGEISUJUAGRHKP-UHFFFAOYSA-N 2 2 523.552 9.515 1 0 KKAFLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3c[nH+]c4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790150 /nfs/dbraw/zinc/79/01/50/561790150.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 2 2 665.798 7.101 1 0 KKAFLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3c[nH+]c4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790152 /nfs/dbraw/zinc/79/01/52/561790152.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 2 2 665.798 7.101 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026674922 561813760 /nfs/dbraw/zinc/81/37/60/561813760.db2.gz XUWDLZRLAJISLR-UHFFFAOYSA-N 3 2 592.184 6.756 1 0 KKAFLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845880 561826498 /nfs/dbraw/zinc/82/64/98/561826498.db2.gz ANCRAJKTKYCZOD-WJOKGBTCSA-N 2 2 625.597 5.291 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000027081422 561835146 /nfs/dbraw/zinc/83/51/46/561835146.db2.gz MWFUUYPTTPCXEY-VCXVHRGASA-N 2 2 675.871 5.210 1 0 KKAFLP COc1cc(CC(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846809 561826658 /nfs/dbraw/zinc/82/66/58/561826658.db2.gz STZNIAPDQODKPV-SSEXGKCCSA-N 2 2 669.650 5.228 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000027081422 561835148 /nfs/dbraw/zinc/83/51/48/561835148.db2.gz MWFUUYPTTPCXEY-VCXVHRGASA-N 2 2 675.871 5.210 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000026993626 561832800 /nfs/dbraw/zinc/83/28/00/561832800.db2.gz IBLUYABUHMLNBC-UTEVTPAPSA-N 2 2 708.929 5.619 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000026993626 561832801 /nfs/dbraw/zinc/83/28/01/561832801.db2.gz IBLUYABUHMLNBC-UTEVTPAPSA-N 2 2 708.929 5.619 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026996450 561833358 /nfs/dbraw/zinc/83/33/58/561833358.db2.gz AAUOKFRTADXFAI-UMYWFGJBSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026996450 561833360 /nfs/dbraw/zinc/83/33/60/561833360.db2.gz AAUOKFRTADXFAI-UMYWFGJBSA-N 2 2 707.941 6.224 1 0 KKAFLP CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105032 561839879 /nfs/dbraw/zinc/83/98/79/561839879.db2.gz PCDOWAYMDIDVIY-GDLZYMKVSA-N 2 2 665.279 5.030 1 0 KKAFLP CN(C[C@H](Cc1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517648 561861416 /nfs/dbraw/zinc/86/14/16/561861416.db2.gz QZMOFNPUSZXVHM-MHZLTWQESA-N 2 2 569.634 6.287 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027522708 561864613 /nfs/dbraw/zinc/86/46/13/561864613.db2.gz ZQCPQPVEHGBNPZ-UHFFFAOYSA-N 2 2 592.970 7.613 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027522708 561864615 /nfs/dbraw/zinc/86/46/15/561864615.db2.gz ZQCPQPVEHGBNPZ-UHFFFAOYSA-N 2 2 592.970 7.613 1 0 KKAFLP CC(=[NH2+])N(C)CC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094879 561900613 /nfs/dbraw/zinc/90/06/13/561900613.db2.gz NOISQJMTOKEJSD-UHFFFAOYSA-N 2 2 527.456 5.254 1 0 KKAFLP CC(=[NH2+])N(C)CC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094879 561900614 /nfs/dbraw/zinc/90/06/14/561900614.db2.gz NOISQJMTOKEJSD-UHFFFAOYSA-N 2 2 527.456 5.254 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930397 /nfs/dbraw/zinc/93/03/97/561930397.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 2 2 580.748 6.679 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930398 /nfs/dbraw/zinc/93/03/98/561930398.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 2 2 580.748 6.679 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@H+](C)CC3 ZINC000028538617 561935144 /nfs/dbraw/zinc/93/51/44/561935144.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 2 2 576.693 6.831 1 0 in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@@H+](C)CC3 ZINC000028538617 561935146 /nfs/dbraw/zinc/93/51/46/561935146.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 2 2 576.693 6.831 1 0 in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000028538617 561935148 /nfs/dbraw/zinc/93/51/48/561935148.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 2 2 576.693 6.831 1 0 in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000028538617 561935150 /nfs/dbraw/zinc/93/51/50/561935150.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 2 2 576.693 6.831 1 0 in-vitro KKAFLP CC(C)[NH+]1CCN([C@@H](C[NH+]2CCN(CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646353 561945091 /nfs/dbraw/zinc/94/50/91/561945091.db2.gz VFCUBGIDVRNDJS-UMSFTDKQSA-N 2 2 563.205 6.464 1 0 KKAFLP O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000028572004 561939636 /nfs/dbraw/zinc/93/96/36/561939636.db2.gz QEWJDKVCDFGZSN-LOSJGSFVSA-N 2 2 528.043 6.101 1 0 KKAFLP Clc1ccc2c(NCCC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000028644739 561944465 /nfs/dbraw/zinc/94/44/65/561944465.db2.gz NEDFTNYEDKYQCR-UHFFFAOYSA-N 4 2 673.092 9.400 1 0 KKAFLP O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000028704483 561948565 /nfs/dbraw/zinc/94/85/65/561948565.db2.gz BAFGXZMFFXRBQV-WJOKGBTCSA-N 2 2 563.677 5.888 1 0 KKAFLP [NH2+]=C(Nc1ccccc1)Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])Nc4ccccc4)cc3)s2)cc1 ZINC000028707679 561950040 /nfs/dbraw/zinc/95/00/40/561950040.db2.gz NGQUOKUCKDGULI-UHFFFAOYSA-N 2 2 502.647 8.000 1 0 KKAFLP O=C(Cc1cccc2ccccc21)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714014 561954416 /nfs/dbraw/zinc/95/44/16/561954416.db2.gz QCIKOZJDMJYRIG-UHFFFAOYSA-N 2 2 530.116 5.210 1 0 KKAFLP O=C(Cc1cccc2ccccc21)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714014 561954417 /nfs/dbraw/zinc/95/44/17/561954417.db2.gz QCIKOZJDMJYRIG-UHFFFAOYSA-N 2 2 530.116 5.210 1 0 KKAFLP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCC[NH+]1CCN(CCC[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954434 /nfs/dbraw/zinc/95/44/34/561954434.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 3 2 678.966 5.020 1 0 KKAFLP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCC[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954435 /nfs/dbraw/zinc/95/44/35/561954435.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 3 2 678.966 5.020 1 0 KKAFLP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCCN1CC[NH+](CCC[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954436 /nfs/dbraw/zinc/95/44/36/561954436.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 3 2 678.966 5.020 1 0 KKAFLP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCCN1CC[NH+](CCC[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954437 /nfs/dbraw/zinc/95/44/37/561954437.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 3 2 678.966 5.020 1 0 KKAFLP C[C@@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000028824132 561969074 /nfs/dbraw/zinc/96/90/74/561969074.db2.gz ZMFVDWKCDJOJTP-NRFANRHFSA-N 2 2 518.061 5.187 1 0 KKAFLP [NH2+]=c1n(CCCCCCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 ZINC000028865355 561973364 /nfs/dbraw/zinc/97/33/64/561973364.db2.gz UVHMZLWGCWWYQZ-UHFFFAOYSA-N 2 2 612.866 8.856 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCC[NH2+]C4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889663 561978050 /nfs/dbraw/zinc/97/80/50/561978050.db2.gz WDBDCRKFWGOAAP-OAQYLSRUSA-N 2 2 517.073 5.627 1 0 KKAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCc2ccc(OC)cc2)[nH+]1 ZINC000029039269 561989575 /nfs/dbraw/zinc/98/95/75/561989575.db2.gz GLFDTEYFYJIUSP-UHFFFAOYSA-N 2 2 507.727 5.059 1 0 KKAFLP CC[NH+](CC)CCCNc1nc(NCCc2ccc(OC)cc2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029039269 561989577 /nfs/dbraw/zinc/98/95/77/561989577.db2.gz GLFDTEYFYJIUSP-UHFFFAOYSA-N 2 2 507.727 5.059 1 0 KKAFLP CC[NH+](CC)CCCNc1nc(NCCc2ccc(OC)cc2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039269 561989578 /nfs/dbraw/zinc/98/95/78/561989578.db2.gz GLFDTEYFYJIUSP-UHFFFAOYSA-N 2 2 507.727 5.059 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCC[NH+](CC)CC)[nH+]1 ZINC000029039273 561989591 /nfs/dbraw/zinc/98/95/91/561989591.db2.gz PBQGHODTGZCGRB-UHFFFAOYSA-N 3 2 542.861 6.100 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCCC[NH+](CC)CC)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029039273 561989593 /nfs/dbraw/zinc/98/95/93/561989593.db2.gz PBQGHODTGZCGRB-UHFFFAOYSA-N 3 2 542.861 6.100 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCCC[NH+](CC)CC)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039273 561989594 /nfs/dbraw/zinc/98/95/94/561989594.db2.gz PBQGHODTGZCGRB-UHFFFAOYSA-N 3 2 542.861 6.100 1 0 KKAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]c[nH+]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 ZINC000029545062 562029476 /nfs/dbraw/zinc/02/94/76/562029476.db2.gz DKINVODFRKTDJC-JTDOPDNRSA-N 2 2 669.823 5.472 1 0 KKAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH+]c[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 ZINC000029545062 562029478 /nfs/dbraw/zinc/02/94/78/562029478.db2.gz DKINVODFRKTDJC-JTDOPDNRSA-N 2 2 669.823 5.472 1 0 KKAFLP Cc1cc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000029559524 562032824 /nfs/dbraw/zinc/03/28/24/562032824.db2.gz ONCZFLYTRGGESY-UHFFFAOYSA-N 2 2 548.706 7.230 1 0 KKAFLP CCCCOc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565712 562034332 /nfs/dbraw/zinc/03/43/32/562034332.db2.gz NHMBRKFMTPPSQN-MHZLTWQESA-N 2 2 546.687 5.719 1 0 KKAFLP O=Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351663 562058969 /nfs/dbraw/zinc/05/89/69/562058969.db2.gz HJDXSOXZHJUZJL-UMSFTDKQSA-N 2 2 590.595 7.665 1 0 KKAFLP O=Cc1cccc(-c2ccc3c(c2)CC[N@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351663 562058970 /nfs/dbraw/zinc/05/89/70/562058970.db2.gz HJDXSOXZHJUZJL-UMSFTDKQSA-N 2 2 590.595 7.665 1 0 KKAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351706 562058986 /nfs/dbraw/zinc/05/89/86/562058986.db2.gz YBAMUENHBJVFDO-CLTMYIMISA-N 3 2 562.753 5.391 1 0 KKAFLP C[NH+]1CCC(CC2CCCCC2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157818 562069401 /nfs/dbraw/zinc/06/94/01/562069401.db2.gz NMKAUOMKZJYMKD-JHOUSYSJSA-N 3 2 620.282 5.181 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cc(Cl)ccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157895 562069758 /nfs/dbraw/zinc/06/97/58/562069758.db2.gz XSMSPJMYCSYEIY-UHFFFAOYSA-N 2 2 574.955 7.915 1 0 KKAFLP CCCC[C@@H]1C(=O)N(CC2CC[NH+](CC(F)F)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281663 562653220 /nfs/dbraw/zinc/65/32/20/562653220.db2.gz KRUJQWXOSLKLBD-MUUNZHRXSA-N 2 2 616.842 5.186 1 0 KKAFLP CC(C)[NH+]1CCC(Oc2ccc(CN3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168976 562658121 /nfs/dbraw/zinc/65/81/21/562658121.db2.gz HTHWWQRUXVIKQR-YTTGMZPUSA-N 2 2 518.145 6.499 1 0 KKAFLP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)[nH+]c(Nc2ccc(Br)cc2)n1 ZINC000045230952 562659643 /nfs/dbraw/zinc/65/96/43/562659643.db2.gz DTWSKAHZTRSZPZ-UHFFFAOYSA-N 3 2 505.549 5.561 1 0 KKAFLP Oc1ccc(CCCNc2nc(NCc3ccccc3-c3ccccc3)nc(NC3CC[NH2+]CC3)[nH+]2)cc1 ZINC000045319225 562661016 /nfs/dbraw/zinc/66/10/16/562661016.db2.gz GNICOTSPAVRRCS-UHFFFAOYSA-N 2 2 509.658 5.065 1 0 KKAFLP Oc1ccc(CCCNc2nc(NC3CC[NH2+]CC3)nc(NCc3ccccc3-c3ccccc3)[nH+]2)cc1 ZINC000045319225 562661017 /nfs/dbraw/zinc/66/10/17/562661017.db2.gz GNICOTSPAVRRCS-UHFFFAOYSA-N 2 2 509.658 5.065 1 0 KKAFLP Oc1ccc(CCCNc2nc(NCc3ccccc3-c3ccccc3)[nH+]c(NC3CC[NH2+]CC3)n2)cc1 ZINC000045319225 562661018 /nfs/dbraw/zinc/66/10/18/562661018.db2.gz GNICOTSPAVRRCS-UHFFFAOYSA-N 2 2 509.658 5.065 1 0 KKAFLP COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3C)cc1)CC2 ZINC000045334524 562661247 /nfs/dbraw/zinc/66/12/47/562661247.db2.gz HTGILZNELBSZCT-FGZHOGPDSA-N 2 2 521.665 5.450 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCCc3[nH]c4ccccc4[nH+]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664247 /nfs/dbraw/zinc/66/42/47/562664247.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 3 2 516.693 6.155 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCCc3[nH]c4ccccc4[nH+]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664248 /nfs/dbraw/zinc/66/42/48/562664248.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 3 2 516.693 6.155 1 0 KKAFLP CC[NH+](CC)CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)nn2C ZINC000049605355 562665748 /nfs/dbraw/zinc/66/57/48/562665748.db2.gz GLDWMXGARJSCNP-UHFFFAOYSA-N 2 2 558.584 5.976 1 0 KKAFLP COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605448 562665941 /nfs/dbraw/zinc/66/59/41/562665941.db2.gz WQQCWWFROVXTDG-PXLJZGITSA-N 2 2 678.661 5.736 1 0 KKAFLP CCCCOc1cc(C)[nH+]c2ccc(NC(=O)COCC(=O)Nc3ccc4[nH+]c(C)cc(OCCCC)c4c3)cc21 ZINC000049605564 562666002 /nfs/dbraw/zinc/66/60/02/562666002.db2.gz ICWINDHZIXFFKK-UHFFFAOYSA-N 2 2 558.679 6.351 1 0 KKAFLP O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@@H]1CCC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694579 562669510 /nfs/dbraw/zinc/66/95/10/562669510.db2.gz NNHSNTVSIBPBEP-VWLOTQADSA-N 2 2 544.186 5.946 1 0 KKAFLP CCOc1ccc(C(OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(OCC)cc2)c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 ZINC000049695057 562670113 /nfs/dbraw/zinc/67/01/13/562670113.db2.gz XRSSEEYWANEWJZ-LQFQNGICSA-N 2 2 716.916 6.095 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710858 562671875 /nfs/dbraw/zinc/67/18/75/562671875.db2.gz NXBWPAZUEFONEN-WNOXWKSXSA-N 2 2 649.792 5.176 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCCC[NH3+])ncn1 ZINC000049775429 562679082 /nfs/dbraw/zinc/67/90/82/562679082.db2.gz GMIVUSAKVGKIOC-UHFFFAOYSA-N 2 2 574.611 6.289 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCC[C@@H]2COCC[NH2+]2)ncn1 ZINC000049777420 562679982 /nfs/dbraw/zinc/67/99/82/562679982.db2.gz XPIADKIXMMYTSD-RUZDIDTESA-N 2 2 630.675 6.319 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCC[NH3+])ncn1 ZINC000049777944 562680739 /nfs/dbraw/zinc/68/07/39/562680739.db2.gz KIMGPUJDZNAMSM-UHFFFAOYSA-N 2 2 546.557 5.509 1 0 KKAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049867437 562689498 /nfs/dbraw/zinc/68/94/98/562689498.db2.gz SZQLNXSQHMITIF-IBGZPJMESA-N 2 2 541.317 5.235 1 0 KKAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049867437 562689499 /nfs/dbraw/zinc/68/94/99/562689499.db2.gz SZQLNXSQHMITIF-IBGZPJMESA-N 2 2 541.317 5.235 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)[C@H]3COc4ccccc4O3)cs2)cc1 ZINC000049918141 562694476 /nfs/dbraw/zinc/69/44/76/562694476.db2.gz XBRJRQXGAQVGAQ-MUUNZHRXSA-N 2 2 545.709 5.155 1 0 KKAFLP O[C@@H]1C[C@H]2CCC[N@H+](Cc3cccc(I)c3)[C@@H]2C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000053021972 562696072 /nfs/dbraw/zinc/69/60/72/562696072.db2.gz VNKWQLNPJDASGU-MIRJVGOZSA-N 2 2 530.494 5.275 1 0 KKAFLP O[C@@H]1C[C@H]2CCC[N@@H+](Cc3cccc(I)c3)[C@@H]2C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000053021972 562696073 /nfs/dbraw/zinc/69/60/73/562696073.db2.gz VNKWQLNPJDASGU-MIRJVGOZSA-N 2 2 530.494 5.275 1 0 KKAFLP O=C(Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(F)cc3)CC2)c1)C1CC1 ZINC000058583376 562700086 /nfs/dbraw/zinc/70/00/86/562700086.db2.gz OZHWWJKJVFUFNI-UHFFFAOYSA-N 2 2 511.645 6.195 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066066154 562709293 /nfs/dbraw/zinc/70/92/93/562709293.db2.gz ZSOHBIYTNTYVNQ-JWHBBQGKSA-N 2 2 534.695 6.628 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066066154 562709294 /nfs/dbraw/zinc/70/92/94/562709294.db2.gz ZSOHBIYTNTYVNQ-JWHBBQGKSA-N 2 2 534.695 6.628 1 0 KKAFLP Cc1ccc(Nc2nc(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000066066310 562709352 /nfs/dbraw/zinc/70/93/52/562709352.db2.gz AMVTYBHNRLMHDE-UHFFFAOYSA-N 2 2 552.086 6.364 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073981 562709593 /nfs/dbraw/zinc/70/95/93/562709593.db2.gz SCDVTYVEEOZJQT-JWHBBQGKSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073981 562709594 /nfs/dbraw/zinc/70/95/94/562709594.db2.gz SCDVTYVEEOZJQT-JWHBBQGKSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2cc(F)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294460 562716909 /nfs/dbraw/zinc/71/69/09/562716909.db2.gz SGXJYRHEFMZKBV-BETPUDKTSA-N 2 2 550.722 6.916 1 0 KKAFLP Cc1[nH+]c2cc(F)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294460 562716910 /nfs/dbraw/zinc/71/69/10/562716910.db2.gz SGXJYRHEFMZKBV-BETPUDKTSA-N 2 2 550.722 6.916 1 0 KKAFLP C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cc[nH+]cc2)c2ccc(Br)cc2)CC1 ZINC000071296902 562717679 /nfs/dbraw/zinc/71/76/79/562717679.db2.gz AOUQIZRTIMIHNA-DWXRJYCRSA-N 2 2 592.365 6.587 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(=O)(=O)C(C)C)c(F)cc2F)CC1 ZINC000072129838 562726495 /nfs/dbraw/zinc/72/64/95/562726495.db2.gz AYZQTNVKDVUKMD-BWMKXQIXSA-N 2 2 707.863 7.344 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(=O)(=O)C(C)C)c(F)cc2F)CC1 ZINC000072129838 562726496 /nfs/dbraw/zinc/72/64/96/562726496.db2.gz AYZQTNVKDVUKMD-BWMKXQIXSA-N 2 2 707.863 7.344 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129942 562726608 /nfs/dbraw/zinc/72/66/08/562726608.db2.gz DMKRCVCDILPMAA-ULJKERAFSA-N 2 2 664.247 6.217 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129942 562726609 /nfs/dbraw/zinc/72/66/09/562726609.db2.gz DMKRCVCDILPMAA-ULJKERAFSA-N 2 2 664.247 6.217 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129943 562726635 /nfs/dbraw/zinc/72/66/35/562726635.db2.gz LSEYGFKZVFFFCR-ULJKERAFSA-N 2 2 714.254 7.097 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129943 562726636 /nfs/dbraw/zinc/72/66/36/562726636.db2.gz LSEYGFKZVFFFCR-ULJKERAFSA-N 2 2 714.254 7.097 1 0 KKAFLP C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3[nH+]ccn32)CC1)[NH+]1CCCC1 ZINC000072139957 562729133 /nfs/dbraw/zinc/72/91/33/562729133.db2.gz DIVUWJFWEQMVAY-CHJDUVSTSA-N 2 2 503.090 5.812 1 0 KKAFLP COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c1 ZINC000072147603 562729775 /nfs/dbraw/zinc/72/97/75/562729775.db2.gz IZSGQPAFIIQCJJ-NLDZOOGBSA-N 2 2 672.097 7.081 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180647 562732546 /nfs/dbraw/zinc/73/25/46/562732546.db2.gz DWRSFLPJFKITBF-INIZCTEOSA-N 2 2 517.432 5.742 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(F)ccc(F)c1Cl ZINC000072183499 562732947 /nfs/dbraw/zinc/73/29/47/562732947.db2.gz WONIGLPPCGGIDN-PGRDOPGGSA-N 2 2 541.042 6.103 1 0 KKAFLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc3sc(C(=O)Nc4c(C)cccc4Cl)cc3c2)[nH+]1 ZINC000073142321 562733806 /nfs/dbraw/zinc/73/38/06/562733806.db2.gz MRAPVDGQAXFJEG-UHFFFAOYSA-N 2 2 507.063 5.709 1 0 KKAFLP C[NH+]1CCN(C(=O)c2ccc(C(c3cccc4cccnc43)=C3CC[NH+](Cc4cscn4)CC3)cc2)CC1 ZINC000073199167 562735975 /nfs/dbraw/zinc/73/59/75/562735975.db2.gz WZEKVKYZWVQTGZ-UHFFFAOYSA-N 2 2 523.706 5.177 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]CC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140552 562739517 /nfs/dbraw/zinc/73/95/17/562739517.db2.gz IUGXZGHHAZBCAL-SSEXGKCCSA-N 2 2 710.049 6.306 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082156819 562740760 /nfs/dbraw/zinc/74/07/60/562740760.db2.gz XRBCSAZPNWJRJK-SSEXGKCCSA-N 2 2 641.134 5.517 1 0 KKAFLP CC(C)c1c(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082156655 562740777 /nfs/dbraw/zinc/74/07/77/562740777.db2.gz ZFYXFKAYIBXASB-NGUGRHTISA-N 2 2 590.252 7.604 1 0 KKAFLP CN1CC[NH+](Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(C[NH+]7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687443 562748889 /nfs/dbraw/zinc/74/88/89/562748889.db2.gz GVZBBFFCPVRNJF-UHFFFAOYSA-N 2 2 588.756 5.825 1 0 KKAFLP CN1CC[NH+](Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CC[NH+](C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687443 562748890 /nfs/dbraw/zinc/74/88/90/562748890.db2.gz GVZBBFFCPVRNJF-UHFFFAOYSA-N 2 2 588.756 5.825 1 0 KKAFLP C[NH+]1CCN(Cc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CN7CC[NH+](C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687443 562748892 /nfs/dbraw/zinc/74/88/92/562748892.db2.gz GVZBBFFCPVRNJF-UHFFFAOYSA-N 2 2 588.756 5.825 1 0 KKAFLP CN1CC[NH+](CCc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CC[NH+]7CCN(C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687444 562748915 /nfs/dbraw/zinc/74/89/15/562748915.db2.gz UMRVVNFCWQZROS-UHFFFAOYSA-N 2 2 616.810 5.910 1 0 KKAFLP CN1CC[NH+](CCc2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(CCN7CC[NH+](C)CC7)cc6)o5)c4)o3)cc2)CC1 ZINC000084687444 562748916 /nfs/dbraw/zinc/74/89/16/562748916.db2.gz UMRVVNFCWQZROS-UHFFFAOYSA-N 2 2 616.810 5.910 1 0 KKAFLP COc1cc(C[NH+](Cc2ccc(C[NH+](Cc3cc(OC)c(O)c(OC)c3)Cc3cc(OC)c(O)c(OC)c3)cc2)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000095536720 562754094 /nfs/dbraw/zinc/75/40/94/562754094.db2.gz KVSVXNRDYPZJNX-UHFFFAOYSA-N 2 2 800.902 6.983 1 0 KKAFLP COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096902360 562797355 /nfs/dbraw/zinc/79/73/55/562797355.db2.gz XEWBBCDRWZDVGS-MIXBDBMTSA-N 2 2 516.767 5.218 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)(C)C)C2 ZINC000100076420 562806651 /nfs/dbraw/zinc/80/66/51/562806651.db2.gz SFGZIFPFBZEGEC-CSSKISATSA-N 2 2 596.820 6.727 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)(C)C)C2 ZINC000100076420 562806652 /nfs/dbraw/zinc/80/66/52/562806652.db2.gz SFGZIFPFBZEGEC-CSSKISATSA-N 2 2 596.820 6.727 1 0 KKAFLP CC(C)(Cc1[nH]cc[nH+]1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101049769 562808917 /nfs/dbraw/zinc/80/89/17/562808917.db2.gz XKJFSQKYOGSARJ-ZTOMLWHTSA-N 2 2 520.637 5.206 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809851 /nfs/dbraw/zinc/80/98/51/562809851.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 2 2 598.738 7.041 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809852 /nfs/dbraw/zinc/80/98/52/562809852.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 2 2 598.738 7.041 1 0 KKAFLP COCCCN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367537 562810432 /nfs/dbraw/zinc/81/04/32/562810432.db2.gz SGQJPPQXKVUHGS-PSWAGMNNSA-N 2 2 616.170 5.752 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)[N@H+](C)CC5 ZINC000101505144 562811088 /nfs/dbraw/zinc/81/10/88/562811088.db2.gz AVICOTFUCGWABJ-UIOOFZCWSA-N 2 2 548.639 6.606 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)[N@@H+](C)CC5 ZINC000101505144 562811089 /nfs/dbraw/zinc/81/10/89/562811089.db2.gz AVICOTFUCGWABJ-UIOOFZCWSA-N 2 2 548.639 6.606 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 ZINC000103233992 562818511 /nfs/dbraw/zinc/81/85/11/562818511.db2.gz IUXJXLMGFCINNP-PKQPGRETSA-N 2 2 536.720 6.760 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 ZINC000103233992 562818512 /nfs/dbraw/zinc/81/85/12/562818512.db2.gz IUXJXLMGFCINNP-PKQPGRETSA-N 2 2 536.720 6.760 1 0 KKAFLP C[NH+](C)CCc1ccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114035420 562827013 /nfs/dbraw/zinc/82/70/13/562827013.db2.gz JIBOBEAPOUYGHV-UHFFFAOYSA-N 2 2 504.005 6.840 1 0 KKAFLP C[NH+](C)CCCOc1ccc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cn1 ZINC000139596940 562832651 /nfs/dbraw/zinc/83/26/51/562832651.db2.gz DCPPHIRTTFNMRQ-UHFFFAOYSA-N 2 2 512.536 5.078 1 0 KKAFLP O[C@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@@H](O)C[NH+]3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)C[NH+]1CCOCC1 ZINC000150561645 562844911 /nfs/dbraw/zinc/84/49/11/562844911.db2.gz OHOBNUOBOCABGF-PMACEKPBSA-N 2 2 938.187 6.291 1 0 KKAFLP C[NH+]1CCN(C[C@H](O)COc2c(Br)cc(C3(c4cc(Br)c(OC[C@@H](O)CN5CC[NH+](C)CC5)c(Br)c4)CCCC3)cc2Br)CC1 ZINC000150572102 562845135 /nfs/dbraw/zinc/84/51/35/562845135.db2.gz FRIJBBZZVJQGPH-UIOOFZCWSA-N 2 2 882.371 5.571 1 0 KKAFLP O=C1[O+]=NN(c2ccc(Cc3ccc(N4N=[O+]C(=O)C4C[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)cc2)C1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000150582499 562845585 /nfs/dbraw/zinc/84/55/85/562845585.db2.gz PLRRQQFSFKEHCU-UHFFFAOYSA-P 3 2 755.707 5.169 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000169323778 562857190 /nfs/dbraw/zinc/85/71/90/562857190.db2.gz IOGWLHKMGADYHU-UHFFFAOYSA-N 2 2 572.504 6.709 1 0 KKAFLP O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353025 562863333 /nfs/dbraw/zinc/86/33/33/562863333.db2.gz MIMZFWLVKRMQDU-DHUJRADRSA-N 2 2 644.845 7.163 1 0 KKAFLP Cc1[nH+]ccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(Cn5cc[nH+]c5C)c4)s3)s2)c1 ZINC000169698171 562866977 /nfs/dbraw/zinc/86/69/77/562866977.db2.gz IENXRZKVERFFHZ-UHFFFAOYSA-N 2 2 680.864 5.424 1 0 KKAFLP C[NH+](C)[C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988549 562874231 /nfs/dbraw/zinc/87/42/31/562874231.db2.gz RUHPPIMINRPEER-OAQYLSRUSA-N 2 2 546.046 6.272 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000219343175 562878061 /nfs/dbraw/zinc/87/80/61/562878061.db2.gz GXWACTLDHJZZJS-FQEVSTJZSA-N 2 2 520.008 5.881 1 0 KKAFLP CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3CCC([NH+]4CCOCC4)CC3)cc2)c(O)cc1O ZINC000299836528 562887216 /nfs/dbraw/zinc/88/72/16/562887216.db2.gz NIFFFYPXJYKJJY-UHFFFAOYSA-N 2 2 560.695 5.188 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299837712 562887587 /nfs/dbraw/zinc/88/75/87/562887587.db2.gz PFSPMYHTZUFJQW-UHFFFAOYSA-N 2 2 593.882 6.838 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299837712 562887588 /nfs/dbraw/zinc/88/75/88/562887588.db2.gz PFSPMYHTZUFJQW-UHFFFAOYSA-N 2 2 593.882 6.838 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1)C1CC1 ZINC000473152126 562901742 /nfs/dbraw/zinc/90/17/42/562901742.db2.gz OFTNLVBTNHHAJV-LBZQVFOQSA-N 2 2 538.519 6.995 1 0 KKAFLP CN(C)[C@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159164 562902605 /nfs/dbraw/zinc/90/26/05/562902605.db2.gz LGJHZIDUGLYJQL-IGKWTDBASA-N 2 2 565.133 6.021 1 0 KKAFLP CN(C)[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159164 562902606 /nfs/dbraw/zinc/90/26/06/562902606.db2.gz LGJHZIDUGLYJQL-IGKWTDBASA-N 2 2 565.133 6.021 1 0 KKAFLP CO[C@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159260 562902701 /nfs/dbraw/zinc/90/27/01/562902701.db2.gz YCFGCPHYPUXLGA-TZYHBYERSA-N 2 2 552.090 6.106 1 0 KKAFLP CO[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159260 562902702 /nfs/dbraw/zinc/90/27/02/562902702.db2.gz YCFGCPHYPUXLGA-TZYHBYERSA-N 2 2 552.090 6.106 1 0 KKAFLP CO[C@@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159256 562902722 /nfs/dbraw/zinc/90/27/22/562902722.db2.gz YCFGCPHYPUXLGA-SXSPYAJSSA-N 2 2 552.090 6.106 1 0 KKAFLP CO[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159256 562902723 /nfs/dbraw/zinc/90/27/23/562902723.db2.gz YCFGCPHYPUXLGA-SXSPYAJSSA-N 2 2 552.090 6.106 1 0 KKAFLP 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 562903423 /nfs/dbraw/zinc/90/34/23/562903423.db2.gz AUULXWXMBHAERU-STZQEDGTSA-N 2 2 526.052 5.452 1 0 KKAFLP 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 562903424 /nfs/dbraw/zinc/90/34/24/562903424.db2.gz AUULXWXMBHAERU-STZQEDGTSA-N 2 2 526.052 5.452 1 0 KKAFLP CC[NH+](CC)CCO[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473183196 562903571 /nfs/dbraw/zinc/90/35/71/562903571.db2.gz PXWSPOPLDIXUQX-HZCBDIJESA-N 2 2 528.068 6.106 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000473183275 562903643 /nfs/dbraw/zinc/90/36/43/562903643.db2.gz VCRREDPIUQOOIB-DYLHXGEVSA-N 2 2 555.506 5.472 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000473183275 562903644 /nfs/dbraw/zinc/90/36/44/562903644.db2.gz VCRREDPIUQOOIB-DYLHXGEVSA-N 2 2 555.506 5.472 1 0 KKAFLP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473198579 562903763 /nfs/dbraw/zinc/90/37/63/562903763.db2.gz PWNHLINSFSHUOG-SNRMKQJTSA-N 2 2 541.067 5.237 1 0 KKAFLP CCN(CC)c1ccc2cc(C(=O)NCCCC[NH+]3CCC(Nc4[nH+]c5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000653883018 562916909 /nfs/dbraw/zinc/91/69/09/562916909.db2.gz FUCOYJUYPRXNIH-UHFFFAOYSA-N 2 2 638.788 6.263 1 0 KKAFLP COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(cc(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000058569477 565115054 /nfs/dbraw/zinc/11/50/54/565115054.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 2 2 638.761 6.448 1 0 biogenic,in-vitro KKAFLP COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(cc(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000058569477 565115056 /nfs/dbraw/zinc/11/50/56/565115056.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 2 2 638.761 6.448 1 0 biogenic,in-vitro KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(cc(OC)c(OC)c4-3)CC[N@H+]2C)cc1 ZINC000058569477 565115061 /nfs/dbraw/zinc/11/50/61/565115061.db2.gz RRRBUQLZAIRJQZ-VMPREFPWSA-N 2 2 638.761 6.448 1 0 biogenic,in-vitro KKAFLP CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=[NH+]1 ZINC000150350051 565202528 /nfs/dbraw/zinc/20/25/28/565202528.db2.gz RZIDPURBHIEUBW-UHFFFAOYSA-N 2 2 684.813 7.039 1 0 biogenic,in-vitro KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000003979544 561692264 /nfs/dbraw/zinc/69/22/64/561692264.db2.gz KPOCXUHWXCPBCD-UHFFFAOYSA-N 2 2 560.834 6.186 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000003979544 561692266 /nfs/dbraw/zinc/69/22/66/561692266.db2.gz KPOCXUHWXCPBCD-UHFFFAOYSA-N 2 2 560.834 6.186 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000013471100 561713989 /nfs/dbraw/zinc/71/39/89/561713989.db2.gz BOAPENYDEADGEH-UHFFFAOYSA-N 2 2 522.835 5.662 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000013471100 561713990 /nfs/dbraw/zinc/71/39/90/561713990.db2.gz BOAPENYDEADGEH-UHFFFAOYSA-N 2 2 522.835 5.662 1 0 KKAFLP Cc1ccc2[nH]c(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH+]c2c1 ZINC000014958000 561748152 /nfs/dbraw/zinc/74/81/52/561748152.db2.gz HZDSUZFWBQPKML-UHFFFAOYSA-N 2 2 526.648 6.160 1 0 KKAFLP CN1c2ccc(OC(=O)NCCCCCCCCCCCC[NH+]3CCOCC3)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000026182631 561772042 /nfs/dbraw/zinc/77/20/42/561772042.db2.gz HEEOMQHFUSVLEM-DGPALRBDSA-N 2 2 514.755 5.377 1 0 KKAFLP CN1c2ccc(OC(=O)NCCCCCCCCCCCC[NH+]3CCOCC3)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000026182631 561772043 /nfs/dbraw/zinc/77/20/43/561772043.db2.gz HEEOMQHFUSVLEM-DGPALRBDSA-N 2 2 514.755 5.377 1 0 KKAFLP CCc1[nH+]ccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000026388459 561785100 /nfs/dbraw/zinc/78/51/00/561785100.db2.gz OZGKCZPZPBBRDV-UHFFFAOYSA-N 2 2 650.824 5.985 1 0 KKAFLP Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3 ZINC000026403894 561789220 /nfs/dbraw/zinc/78/92/20/561789220.db2.gz PWQSGDXLYIZACP-RUZDIDTESA-N 2 2 512.654 5.321 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCCCC[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026675461 561813864 /nfs/dbraw/zinc/81/38/64/561813864.db2.gz RGULRCINPFBAJQ-UHFFFAOYSA-N 3 2 634.265 7.926 1 0 KKAFLP Cc1c2cc(Cl)cc(Cl)c2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000026716665 561814220 /nfs/dbraw/zinc/81/42/20/561814220.db2.gz HAAPUDFQHBYQJE-UHFFFAOYSA-N 2 2 507.468 5.275 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCOCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026718521 561814710 /nfs/dbraw/zinc/81/47/10/561814710.db2.gz UJPLTYVXAUXUFI-UHFFFAOYSA-N 3 2 594.156 5.602 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026718521 561814711 /nfs/dbraw/zinc/81/47/11/561814711.db2.gz UJPLTYVXAUXUFI-UHFFFAOYSA-N 2 2 594.156 5.602 1 0 KKAFLP C[NH+](C)CCC[NH2+]Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026724321 561815679 /nfs/dbraw/zinc/81/56/79/561815679.db2.gz MKDJRJFSYFWFLC-UHFFFAOYSA-N 4 2 509.098 5.098 1 0 KKAFLP C[NH+](C)CCC[NH2+]Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026724321 561815681 /nfs/dbraw/zinc/81/56/81/561815681.db2.gz MKDJRJFSYFWFLC-UHFFFAOYSA-N 3 2 509.098 5.098 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000026848208 561826916 /nfs/dbraw/zinc/82/69/16/561826916.db2.gz IORNNFZUEYOWBO-SSEXGKCCSA-N 2 2 646.676 5.933 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848895 561827025 /nfs/dbraw/zinc/82/70/25/561827025.db2.gz RSRKUMMFMMRVHW-LJAQVGFWSA-N 2 2 601.525 5.552 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942333 561828137 /nfs/dbraw/zinc/82/81/37/561828137.db2.gz UCQRXBZYKFZLPN-GDLZYMKVSA-N 2 2 634.435 6.580 1 0 KKAFLP CCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)cc[nH+]1 ZINC000026985358 561831886 /nfs/dbraw/zinc/83/18/86/561831886.db2.gz RYBKRFKFUDCLIC-IGYBLTPGSA-N 2 2 590.856 8.024 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027440588 561860728 /nfs/dbraw/zinc/86/07/28/561860728.db2.gz VFTBMHHOSKDGPC-RUZDIDTESA-N 2 2 541.580 6.075 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027521748 561864155 /nfs/dbraw/zinc/86/41/55/561864155.db2.gz OQVYCYWPYVUJHG-UHFFFAOYSA-N 2 2 550.889 6.443 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027521748 561864156 /nfs/dbraw/zinc/86/41/56/561864156.db2.gz OQVYCYWPYVUJHG-UHFFFAOYSA-N 2 2 550.889 6.443 1 0 KKAFLP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4ccsc4)Cc4ccsc4)CC3)cc[nH+]c2c1 ZINC000027640573 561875239 /nfs/dbraw/zinc/87/52/39/561875239.db2.gz PACCCTSXSYUSGQ-UHFFFAOYSA-N 3 2 554.229 6.523 1 0 KKAFLP [NH3+]CCC[NH+](Cc1ccc(-c2ccc(Br)cc2)o1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000027713274 561879987 /nfs/dbraw/zinc/87/99/87/561879987.db2.gz FWILLHCPMIPKKG-UHFFFAOYSA-N 2 2 544.287 7.083 1 0 KKAFLP CN(C)c1nc(NCC2CCC(C[NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028133369 561906171 /nfs/dbraw/zinc/90/61/71/561906171.db2.gz UGTJLUOFSLGNDT-UHFFFAOYSA-N 2 2 566.466 6.365 1 0 KKAFLP COc1cc2c(cc1OCCCCOc1ccc(-c3[nH]c4ccc(N5CC[NH+](C)CC5)cc4[nH+]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028385998 561921021 /nfs/dbraw/zinc/92/10/21/561921021.db2.gz RBBHZQKRPMRMMP-SANMLTNESA-N 2 2 608.743 5.549 1 0 KKAFLP CC(C)[NH+]1CCN([C@H](C[NH+]2CCN(CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646355 561945160 /nfs/dbraw/zinc/94/51/60/561945160.db2.gz VFCUBGIDVRNDJS-UUWRZZSWSA-N 2 2 563.205 6.464 1 0 KKAFLP CN1CC[NH+]([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646240 561944897 /nfs/dbraw/zinc/94/48/97/561944897.db2.gz FBNHMHGIMMCLHO-QNGWXLTQSA-N 2 2 546.803 6.436 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000028714034 561954443 /nfs/dbraw/zinc/95/44/43/561954443.db2.gz NDHYNZNDURMYSZ-UHFFFAOYSA-N 2 2 570.137 5.359 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000028714034 561954444 /nfs/dbraw/zinc/95/44/44/561954444.db2.gz NDHYNZNDURMYSZ-UHFFFAOYSA-N 2 2 570.137 5.359 1 0 KKAFLP Cc1ccc(N[C@@H](O)c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818954 561965513 /nfs/dbraw/zinc/96/55/13/561965513.db2.gz UIQVTQZGYNQWLN-LGGPFLRQSA-N 2 2 592.670 5.491 1 0 KKAFLP Cc1ccc(N[C@@H](O)c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818954 561965515 /nfs/dbraw/zinc/96/55/15/561965515.db2.gz UIQVTQZGYNQWLN-LGGPFLRQSA-N 2 2 592.670 5.491 1 0 KKAFLP C[C@@H]([NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824125 561969051 /nfs/dbraw/zinc/96/90/51/561969051.db2.gz KHIFGJZXVUNEIN-HXUWFJFHSA-N 2 2 506.050 5.456 1 0 KKAFLP Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4[nH+]c5ccc(Cl)cn5c4CC3)n2C)n1 ZINC000029127382 561999881 /nfs/dbraw/zinc/99/98/81/561999881.db2.gz YNRYXTYLZKMJRP-UHFFFAOYSA-N 2 2 518.090 5.223 1 0 KKAFLP Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4[nH+]c5ccc(Cl)cn5c4CC3)n2C)n1 ZINC000029127382 561999884 /nfs/dbraw/zinc/99/98/84/561999884.db2.gz YNRYXTYLZKMJRP-UHFFFAOYSA-N 2 2 518.090 5.223 1 0 KKAFLP CCCCOc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565716 562034279 /nfs/dbraw/zinc/03/42/79/562034279.db2.gz NHMBRKFMTPPSQN-HHHXNRCGSA-N 2 2 546.687 5.719 1 0 KKAFLP CCOC(=O)COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029569592 562035315 /nfs/dbraw/zinc/03/53/15/562035315.db2.gz XHYFULXHOBTXHZ-UHFFFAOYSA-N 2 2 530.644 5.285 1 0 KKAFLP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C(C)C)CC1 ZINC000036285263 562053945 /nfs/dbraw/zinc/05/39/45/562053945.db2.gz GSXDYZPMLCQEKT-ROJLCIKYSA-N 3 2 608.271 5.035 1 0 KKAFLP CC[C@@H](C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285681 562054363 /nfs/dbraw/zinc/05/43/63/562054363.db2.gz TUVLNWRHXNOMHI-IFVWFWILSA-N 2 2 599.569 6.722 1 0 KKAFLP CC(C)(C)c1ccc(C(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000036476050 562060842 /nfs/dbraw/zinc/06/08/42/562060842.db2.gz GPVUPWDIARYBQH-UHFFFAOYSA-N 2 2 522.137 5.425 1 0 KKAFLP CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCN(CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000036476050 562060843 /nfs/dbraw/zinc/06/08/43/562060843.db2.gz GPVUPWDIARYBQH-UHFFFAOYSA-N 2 2 522.137 5.425 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157897 562069785 /nfs/dbraw/zinc/06/97/85/562069785.db2.gz DXZCQJLJSTXNQD-UHFFFAOYSA-N 2 2 574.955 7.915 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CO)[N@@H+]1CCc1c[nH]c2ccccc12 ZINC000040763916 562079366 /nfs/dbraw/zinc/07/93/66/562079366.db2.gz APLXSTNXAUTIFC-CLLHQPRTSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CO)[N@H+]1CCc1c[nH]c2ccccc12 ZINC000040763916 562079368 /nfs/dbraw/zinc/07/93/68/562079368.db2.gz APLXSTNXAUTIFC-CLLHQPRTSA-N 3 2 584.805 5.035 1 0 KKAFLP CCC1C=C(c2cccc(CCc3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C(N2CC[NH2+]CC2)=[NH+]1 ZINC000103533129 560050851 /nfs/dbraw/zinc/05/08/51/560050851.db2.gz RWVFZOIJEXSSFQ-UHFFFAOYSA-N 2 2 580.661 5.124 1 0 biogenic,in-vitro KKAFLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062450 562645205 /nfs/dbraw/zinc/64/52/05/562645205.db2.gz PFTYUXPUTSSSAS-MHZLTWQESA-N 2 2 536.602 5.398 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000043620359 562650226 /nfs/dbraw/zinc/65/02/26/562650226.db2.gz ZNMWOXHKUMOSNW-WJOKGBTCSA-N 2 2 621.226 5.176 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000043620359 562650227 /nfs/dbraw/zinc/65/02/27/562650227.db2.gz ZNMWOXHKUMOSNW-WJOKGBTCSA-N 2 2 621.226 5.176 1 0 KKAFLP O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3[nH]cc(-c4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657056 /nfs/dbraw/zinc/65/70/56/562657056.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 2 2 526.725 6.005 1 0 KKAFLP O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3[nH]cc(-c4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657057 /nfs/dbraw/zinc/65/70/57/562657057.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 2 2 526.725 6.005 1 0 KKAFLP Cc1cccc(Cl)c1Nc1[nH+]c2ccccc2n1-c1cc(Nc2ccc(CC[NH+]3CCOCC3)cn2)ncn1 ZINC000044417776 562657223 /nfs/dbraw/zinc/65/72/23/562657223.db2.gz QKOSSPWEUIPRQF-UHFFFAOYSA-N 2 2 541.059 5.534 1 0 KKAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431656 562657901 /nfs/dbraw/zinc/65/79/01/562657901.db2.gz HIMZSVHQBCOUSW-DEOSSOPVSA-N 2 2 617.415 6.804 1 0 KKAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000044431656 562657902 /nfs/dbraw/zinc/65/79/02/562657902.db2.gz HIMZSVHQBCOUSW-DEOSSOPVSA-N 2 2 617.415 6.804 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5sccc5nc4C(F)(F)F)CC3)c2c1 ZINC000045187729 562658260 /nfs/dbraw/zinc/65/82/60/562658260.db2.gz HGMDYULYYUBCKT-QHCPKHFHSA-N 2 2 516.589 5.160 1 0 KKAFLP CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1cc[nH+]c(NCCC[NH+](C)C)n1 ZINC000045190321 562658469 /nfs/dbraw/zinc/65/84/69/562658469.db2.gz BFFWOYWSQVMILS-UHFFFAOYSA-N 2 2 505.520 5.410 1 0 KKAFLP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658891 /nfs/dbraw/zinc/65/88/91/562658891.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 2 2 503.691 5.557 1 0 KKAFLP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658892 /nfs/dbraw/zinc/65/88/92/562658892.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 2 2 503.691 5.557 1 0 KKAFLP O=c1ccc2ccc(F)c3c2n1C[C@H]3C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202725 562659193 /nfs/dbraw/zinc/65/91/93/562659193.db2.gz NSQVTZMDHHVPBP-JOCHJYFZSA-N 2 2 503.021 5.207 1 0 KKAFLP COc1cc(Nc2cc[nH+]c3cc(-c4nccs4)ccc23)ccc1OCCCc1[nH]c2ccccc2[nH+]1 ZINC000045302369 562660590 /nfs/dbraw/zinc/66/05/90/562660590.db2.gz OUSPIQCRNXQHHJ-UHFFFAOYSA-N 2 2 507.619 6.998 1 0 KKAFLP Cc1cc2[nH+]c(N3CCCC[C@@H]3C[NH+](C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384717 562662341 /nfs/dbraw/zinc/66/23/41/562662341.db2.gz LKPKWKNXRZOSEF-XMMPIXPASA-N 2 2 532.773 6.757 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCCc3[nH]c4ccccc4[nH+]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664296 /nfs/dbraw/zinc/66/42/96/562664296.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 3 2 516.693 6.155 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](CCCc3[nH]c4ccccc4[nH+]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664297 /nfs/dbraw/zinc/66/42/97/562664297.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 3 2 516.693 6.155 1 0 KKAFLP CC[NH+](CC)CCCCNc1cc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc3cc(OC)ccc3c2)cc[nH+]1 ZINC000049605329 562665670 /nfs/dbraw/zinc/66/56/70/562665670.db2.gz MCRUWWVVNHULLR-UHFFFAOYSA-N 2 2 588.583 8.808 1 0 KKAFLP CCCC[NH+](CCCC)CCCN(CCC[NH+](CCCC)CCCC)c1cc(C)[nH+]c(Nc2ccc(Cl)cc2)n1 ZINC000049613931 562666490 /nfs/dbraw/zinc/66/64/90/562666490.db2.gz AWWJWEMOLRHUMY-UHFFFAOYSA-N 3 2 573.314 8.573 1 0 KKAFLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668315 /nfs/dbraw/zinc/66/83/15/562668315.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 2 2 607.457 7.114 1 0 KKAFLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668312 /nfs/dbraw/zinc/66/83/12/562668312.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 2 2 607.457 7.114 1 0 KKAFLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668313 /nfs/dbraw/zinc/66/83/13/562668313.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 2 2 607.457 7.114 1 0 KKAFLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049677753 562668314 /nfs/dbraw/zinc/66/83/14/562668314.db2.gz DFVORCVGALOMLM-UHFFFAOYSA-N 2 2 607.457 7.114 1 0 KKAFLP CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH+]c[nH]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000049678683 562668610 /nfs/dbraw/zinc/66/86/10/562668610.db2.gz YTGOCWXNLVYIAS-QXTOHPMLSA-N 2 2 541.865 6.754 1 0 KKAFLP CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH]c[nH+]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000049678683 562668611 /nfs/dbraw/zinc/66/86/11/562668611.db2.gz YTGOCWXNLVYIAS-QXTOHPMLSA-N 2 2 541.865 6.754 1 0 KKAFLP FC(F)(F)c1cccc2c1[nH+]cc(C1N=NC(=S)N1c1ccccc1)c2N1CC[NH+](C2CCCCC2)CC1 ZINC000049695037 562670142 /nfs/dbraw/zinc/67/01/42/562670142.db2.gz ZTFWSADDRRDSDQ-UHFFFAOYSA-N 2 2 538.643 6.245 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049710855 562671843 /nfs/dbraw/zinc/67/18/43/562671843.db2.gz NXBWPAZUEFONEN-DYKQPOOOSA-N 2 2 649.792 5.176 1 0 KKAFLP O=C(Nc1ccc2ccccc2c1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049710903 562671886 /nfs/dbraw/zinc/67/18/86/562671886.db2.gz CWASXGBLPWOOID-UHFFFAOYSA-N 2 2 586.765 7.574 1 0 KKAFLP COc1cc2c(cc1OCC[NH+]1CCC([NH+]3CCCCC3)CC1)N(C(=O)/C=C/c1ccccc1OC(F)(F)F)CC2 ZINC000049745447 562673873 /nfs/dbraw/zinc/67/38/73/562673873.db2.gz ZDGJZVVRIFAAAY-MDZDMXLPSA-N 2 2 573.656 5.525 1 0 KKAFLP CC[NH+](CC)CCCNc1nc(N(C)c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc[nH+]1 ZINC000049757350 562675896 /nfs/dbraw/zinc/67/58/96/562675896.db2.gz NDNBFELYIGNBEW-UHFFFAOYSA-N 2 2 533.574 6.190 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCC[C@@H]2CCC[NH2+]2)ncn1 ZINC000049775261 562678990 /nfs/dbraw/zinc/67/89/90/562678990.db2.gz PTTXMHGPBHSAPT-QHCPKHFHSA-N 2 2 600.649 6.693 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049784297 562683549 /nfs/dbraw/zinc/68/35/49/562683549.db2.gz WLXOCNXXBZJGFO-XRSDMRJBSA-N 2 2 584.804 7.712 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049784297 562683550 /nfs/dbraw/zinc/68/35/50/562683550.db2.gz WLXOCNXXBZJGFO-XRSDMRJBSA-N 2 2 584.804 7.712 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792788 562684507 /nfs/dbraw/zinc/68/45/07/562684507.db2.gz DNCGWEOXZZUXOR-JXLNJXQWSA-N 2 2 542.723 6.542 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792788 562684508 /nfs/dbraw/zinc/68/45/08/562684508.db2.gz DNCGWEOXZZUXOR-JXLNJXQWSA-N 2 2 542.723 6.542 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792788 562684509 /nfs/dbraw/zinc/68/45/09/562684509.db2.gz DNCGWEOXZZUXOR-JXLNJXQWSA-N 2 2 542.723 6.542 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792788 562684510 /nfs/dbraw/zinc/68/45/10/562684510.db2.gz DNCGWEOXZZUXOR-JXLNJXQWSA-N 2 2 542.723 6.542 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823276 562687141 /nfs/dbraw/zinc/68/71/41/562687141.db2.gz CPNBSBOGRZLYDZ-UHFFFAOYSA-N 2 2 681.322 5.666 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049844793 562688624 /nfs/dbraw/zinc/68/86/24/562688624.db2.gz PSHKQRKZPLDLPG-UHFFFAOYSA-N 2 2 681.322 5.666 1 0 KKAFLP FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(CC[NH+]6CCOCC6)CC5)c4)cc3)nc2c1 ZINC000049917871 562694108 /nfs/dbraw/zinc/69/41/08/562694108.db2.gz PSNLCDNYYPPULE-UHFFFAOYSA-N 2 2 549.641 5.366 1 0 KKAFLP COCC[N@H+](C)CCCOc1cc2c(cc1OC)[nH+]cn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049918000 562694269 /nfs/dbraw/zinc/69/42/69/562694269.db2.gz USMWVHDMUJVVGK-UHFFFAOYSA-N 2 2 592.640 5.139 1 0 KKAFLP COCC[N@@H+](C)CCCOc1cc2c(cc1OC)[nH+]cn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049918000 562694270 /nfs/dbraw/zinc/69/42/70/562694270.db2.gz USMWVHDMUJVVGK-UHFFFAOYSA-N 2 2 592.640 5.139 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5s4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918112 562694456 /nfs/dbraw/zinc/69/44/56/562694456.db2.gz RLEGSRXMQFKDBA-DYKQPOOOSA-N 2 2 665.860 5.644 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCC[NH3+])ncn1 ZINC000049925434 562694742 /nfs/dbraw/zinc/69/47/42/562694742.db2.gz PTWXGAHPCIQUHL-UHFFFAOYSA-N 2 2 560.584 5.899 1 0 KKAFLP Clc1ccc2c(NCCC[NH+]3CCN(CCC[NH+](Cc4cccc(Oc5ccccc5)c4)Cc4cccc(Oc5ccccc5)c4)CC3)cc[nH+]c2c1 ZINC000049938422 562695308 /nfs/dbraw/zinc/69/53/08/562695308.db2.gz AOAAPUUOAQPXBG-UHFFFAOYSA-N 3 2 726.365 9.985 1 0 KKAFLP CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058583611 562700148 /nfs/dbraw/zinc/70/01/48/562700148.db2.gz OGJZVHOTZCVDJK-UHFFFAOYSA-N 2 2 513.661 6.441 1 0 KKAFLP O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[NH2+][C@@H](Cn2cc[nH+]c2)C(=O)OCc2ccccc2)n1 ZINC000058584011 562700218 /nfs/dbraw/zinc/70/02/18/562700218.db2.gz LUDAVSFJSNQMJR-HKBQPEDESA-N 2 2 573.653 5.214 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)cn1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097304 562710767 /nfs/dbraw/zinc/71/07/67/562710767.db2.gz NVLXALPQAJFRPI-LJAQVGFWSA-N 2 2 556.776 5.826 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccccc2)nc(Nc2cccc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)n1 ZINC000066167171 562714267 /nfs/dbraw/zinc/71/42/67/562714267.db2.gz FMIZXUGFADJEEA-UHFFFAOYSA-N 2 2 554.102 7.058 1 0 KKAFLP C[N@H+](CC[C@@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330138 562719103 /nfs/dbraw/zinc/71/91/03/562719103.db2.gz KROSHEKWTTXFGB-XMMPIXPASA-N 2 2 512.500 6.547 1 0 KKAFLP C[N@@H+](CC[C@@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330138 562719104 /nfs/dbraw/zinc/71/91/04/562719104.db2.gz KROSHEKWTTXFGB-XMMPIXPASA-N 2 2 512.500 6.547 1 0 KKAFLP Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)Cc2ccccc2-1 ZINC000072142812 562729644 /nfs/dbraw/zinc/72/96/44/562729644.db2.gz QUXSCHHIUKJGMX-UHFFFAOYSA-N 2 2 595.618 10.014 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140053 562739295 /nfs/dbraw/zinc/73/92/95/562739295.db2.gz WAZNVPCGIXCIMD-JGCGQSQUSA-N 2 2 655.186 5.219 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]C4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140475 562739442 /nfs/dbraw/zinc/73/94/42/562739442.db2.gz BNEOQGQIDGGDLZ-GDLZYMKVSA-N 2 2 673.041 5.556 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082152196 562740013 /nfs/dbraw/zinc/74/00/13/562740013.db2.gz GDBCMTDZMLTMSZ-MGBGTMOVSA-N 2 2 635.636 5.796 1 0 KKAFLP COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)[NH+]1C ZINC000084670872 562748424 /nfs/dbraw/zinc/74/84/24/562748424.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)[NH+]1C ZINC000084670872 562748425 /nfs/dbraw/zinc/74/84/25/562748425.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)[N@@H+]1C ZINC000084670872 562748426 /nfs/dbraw/zinc/74/84/26/562748426.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)[N@H+]1C ZINC000084670872 562748427 /nfs/dbraw/zinc/74/84/27/562748427.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 2 2 638.761 6.523 1 0 KKAFLP CCCC[C@@H](OC(=O)C[NH+]1CCCC1)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@@H](CCCC)OC(=O)C[NH+]1CCCC1 ZINC000095582810 562772751 /nfs/dbraw/zinc/77/27/51/562772751.db2.gz FAGSBLZOBVEPGN-GRZXRCNGSA-N 2 2 748.914 5.976 1 0 KKAFLP Cc1cc(NC2CCCC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NC5CCCC5)cc(C)[nH+]4)cc3)cc2)[nH+]1 ZINC000095595270 562776667 /nfs/dbraw/zinc/77/66/67/562776667.db2.gz TUSSUAQUFMOZFU-UHFFFAOYSA-N 2 2 636.845 8.708 1 0 KKAFLP O=C(Nc1cccc(Nc2[nH]c3ccccc3[nH+]2)c1)N(CCC(c1ccccc1)c1ccccc1)CC[NH+]1CCOCC1 ZINC000095602258 562780009 /nfs/dbraw/zinc/78/00/09/562780009.db2.gz VMWATGHIKLTNHD-UHFFFAOYSA-N 2 2 574.729 6.695 1 0 KKAFLP COc1ccccc1C[NH+]1CCN(c2nc(-n3nc(-c4cc(OC)c(OC)c(OC)c4)cc3SC)nc(N3CC[NH+](Cc4ccccc4OC)CC3)n2)CC1 ZINC000095606746 562782362 /nfs/dbraw/zinc/78/23/62/562782362.db2.gz SOVWSHBGTDRTMG-UHFFFAOYSA-N 2 2 767.957 5.134 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(SC(F)(F)F)ccc12 ZINC000095696508 562788501 /nfs/dbraw/zinc/78/85/01/562788501.db2.gz ZSHCWNWXGBPSSN-UHFFFAOYSA-N 2 2 552.622 6.569 1 0 KKAFLP COC(=O)[C@H](CCCC[NH3+])[N@@H+](/C=C/Cc1cccc(Oc2ccccc2)c1)Cc1cccc(Oc2ccccc2)c1 ZINC000100863138 562808275 /nfs/dbraw/zinc/80/82/75/562808275.db2.gz CKPBTNSFIIVLDR-SDFIUTEQSA-N 2 2 550.699 7.500 1 0 KKAFLP COC(=O)[C@H](CCCC[NH3+])[N@H+](/C=C/Cc1cccc(Oc2ccccc2)c1)Cc1cccc(Oc2ccccc2)c1 ZINC000100863138 562808276 /nfs/dbraw/zinc/80/82/76/562808276.db2.gz CKPBTNSFIIVLDR-SDFIUTEQSA-N 2 2 550.699 7.500 1 0 KKAFLP CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511141 562811164 /nfs/dbraw/zinc/81/11/64/562811164.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 3 2 611.781 6.702 1 0 KKAFLP CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511141 562811165 /nfs/dbraw/zinc/81/11/65/562811165.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 3 2 611.781 6.702 1 0 KKAFLP CCN(C(=O)c1ccc(-n2c[nH+]c(C)c2)c(OC)c1)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225467 562817716 /nfs/dbraw/zinc/81/77/16/562817716.db2.gz OWOZPIGYQRDQRB-HSZRJFAPSA-N 2 2 500.565 5.335 1 0 KKAFLP CCN(C(=O)c1ccc(-n2c[nH+]c(C)c2)c(OC)c1)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225467 562817717 /nfs/dbraw/zinc/81/77/17/562817717.db2.gz OWOZPIGYQRDQRB-HSZRJFAPSA-N 2 2 500.565 5.335 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225795 562817788 /nfs/dbraw/zinc/81/77/88/562817788.db2.gz GHBCBQSQGDNBNN-QODLHPCFSA-N 2 2 542.749 5.839 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225795 562817789 /nfs/dbraw/zinc/81/77/89/562817789.db2.gz GHBCBQSQGDNBNN-QODLHPCFSA-N 2 2 542.749 5.839 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103234833 562818691 /nfs/dbraw/zinc/81/86/91/562818691.db2.gz OYKWKRULMOLOFA-GPOLMCQNSA-N 2 2 597.631 8.178 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103234833 562818692 /nfs/dbraw/zinc/81/86/92/562818692.db2.gz OYKWKRULMOLOFA-GPOLMCQNSA-N 2 2 597.631 8.178 1 0 KKAFLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264973 562822058 /nfs/dbraw/zinc/82/20/58/562822058.db2.gz ZLTPHYKLWOKMHT-UHFFFAOYSA-N 2 2 606.693 7.038 1 0 KKAFLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264973 562822059 /nfs/dbraw/zinc/82/20/59/562822059.db2.gz ZLTPHYKLWOKMHT-UHFFFAOYSA-N 2 2 606.693 7.038 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000105485383 562825277 /nfs/dbraw/zinc/82/52/77/562825277.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000105485383 562825278 /nfs/dbraw/zinc/82/52/78/562825278.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000105485383 562825279 /nfs/dbraw/zinc/82/52/79/562825279.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000105485383 562825280 /nfs/dbraw/zinc/82/52/80/562825280.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037587 562827202 /nfs/dbraw/zinc/82/72/02/562827202.db2.gz CHEFFCXFEZUVQX-SFHVURJKSA-N 2 2 503.990 5.148 1 0 KKAFLP [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)C1 ZINC000114037612 562827226 /nfs/dbraw/zinc/82/72/26/562827226.db2.gz RNDRXUOKCDOSTQ-IBGZPJMESA-N 2 2 515.564 5.544 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cnc(N5CCC([NH3+])CC5)nc4)c3c2)cc(Cl)c1O ZINC000114037801 562827242 /nfs/dbraw/zinc/82/72/42/562827242.db2.gz ITUIEGXLOPAYCZ-UHFFFAOYSA-N 2 2 545.043 5.323 1 0 KKAFLP C[NH+]1CCN(C2CCN(c3c(C(=O)C4CC4)c[nH+]c4ccc(-c5ccc(O)c(Cl)c5)cc43)CC2)CC1 ZINC000114038691 562827338 /nfs/dbraw/zinc/82/73/38/562827338.db2.gz LHQNZJAFQOLFDX-UHFFFAOYSA-N 2 2 505.062 5.070 1 0 KKAFLP CN1CC[NH+](C2CCN(c3c(C(=O)C4CC4)c[nH+]c4ccc(-c5ccc(O)c(Cl)c5)cc43)CC2)CC1 ZINC000114038691 562827339 /nfs/dbraw/zinc/82/73/39/562827339.db2.gz LHQNZJAFQOLFDX-UHFFFAOYSA-N 2 2 505.062 5.070 1 0 KKAFLP C[NH+](C)CCN1CCC(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000114039169 562827431 /nfs/dbraw/zinc/82/74/31/562827431.db2.gz VTUKFPKHGIWCSA-UHFFFAOYSA-N 2 2 511.041 5.431 1 0 KKAFLP C[NH+]1CCN(C[C@@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@@H](O)CN4CC[NH+](C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561648 562844887 /nfs/dbraw/zinc/84/48/87/562844887.db2.gz GGMPSENEASCRJD-SZPZYZBQSA-N 2 2 964.273 6.122 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](c4ccccc4)[NH+](C)C)cc3)o2)cc1)c1ccccc1 ZINC000150598879 562846934 /nfs/dbraw/zinc/84/69/34/562846934.db2.gz TUPGLXHNPGFRSO-HTNZGVODSA-N 2 2 767.931 6.473 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000150617845 562848841 /nfs/dbraw/zinc/84/88/41/562848841.db2.gz UGLVIKJMMLMSFT-CYFDYVNOSA-N 2 2 643.829 6.000 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000150617845 562848842 /nfs/dbraw/zinc/84/88/42/562848842.db2.gz UGLVIKJMMLMSFT-CYFDYVNOSA-N 2 2 643.829 6.000 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3cccc(Cl)c3)n2)CC1 ZINC000169323769 562857117 /nfs/dbraw/zinc/85/71/17/562857117.db2.gz XSSNPINAQFWCRG-UHFFFAOYSA-N 2 2 572.504 6.709 1 0 KKAFLP Clc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000169323783 562857165 /nfs/dbraw/zinc/85/71/65/562857165.db2.gz DRYJKYXRZCBBHQ-UHFFFAOYSA-N 2 2 616.557 7.092 1 0 KKAFLP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353019 562863336 /nfs/dbraw/zinc/86/33/36/562863336.db2.gz JRWMGKBZYBCNSS-DIPNUNPCSA-N 2 2 691.251 7.894 1 0 KKAFLP O=C(OC[C@H]([C@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353032 562863353 /nfs/dbraw/zinc/86/33/53/562863353.db2.gz OVBWQROKKIVGSL-NBWQQBAWSA-N 2 2 638.816 7.102 1 0 KKAFLP CCN(CC)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697640 562866493 /nfs/dbraw/zinc/86/64/93/562866493.db2.gz BXMVUEBGZCWIKD-UHFFFAOYSA-N 2 2 614.798 6.154 1 0 KKAFLP CC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697634 562866495 /nfs/dbraw/zinc/86/64/95/562866495.db2.gz YQFLDUBZECPVCJ-UHFFFAOYSA-N 2 2 531.664 6.054 1 0 KKAFLP CCC(=O)N1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697643 562866516 /nfs/dbraw/zinc/86/65/16/562866516.db2.gz RXORTACENZHOOR-UHFFFAOYSA-N 2 2 572.717 5.128 1 0 KKAFLP CCN(c1cc(-c2ccc(N3CCC([NH+](C)C)CC3)[nH+]c2)cc(C(=O)NCc2c(=O)[nH]c(C)cc2C(C)C)c1C)C1CCOCC1 ZINC000205713623 562875718 /nfs/dbraw/zinc/87/57/18/562875718.db2.gz RMZUMPMWMNRRJH-UHFFFAOYSA-N 2 2 628.862 5.643 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000206289926 562876442 /nfs/dbraw/zinc/87/64/42/562876442.db2.gz ZSOHBIYTNTYVNQ-WRENHGGMSA-N 2 2 534.695 6.628 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000206289926 562876443 /nfs/dbraw/zinc/87/64/43/562876443.db2.gz ZSOHBIYTNTYVNQ-WRENHGGMSA-N 2 2 534.695 6.628 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnc(C)c(CC[NH+]2CCCC2)c1 ZINC000219344428 562878033 /nfs/dbraw/zinc/87/80/33/562878033.db2.gz INBKUQAZGFJIRU-UHFFFAOYSA-N 2 2 519.020 6.688 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836392 562887175 /nfs/dbraw/zinc/88/71/75/562887175.db2.gz ZQMJKQGLBIJIRP-UMSFTDKQSA-N 2 2 575.797 7.185 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836392 562887176 /nfs/dbraw/zinc/88/71/76/562887176.db2.gz ZQMJKQGLBIJIRP-UMSFTDKQSA-N 2 2 575.797 7.185 1 0 KKAFLP Cc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871644 562895723 /nfs/dbraw/zinc/89/57/23/562895723.db2.gz YYMPRYMXNROTIP-XMMPIXPASA-N 2 2 534.582 5.715 1 0 KKAFLP CO[C@@H]1C[C@@](CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473082449 562896721 /nfs/dbraw/zinc/89/67/21/562896721.db2.gz HQBVENHUOCSWIS-SXQNJKPJSA-N 2 2 523.693 6.426 1 0 KKAFLP CO[C@@H]1C[C@@](CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473082449 562896722 /nfs/dbraw/zinc/89/67/22/562896722.db2.gz HQBVENHUOCSWIS-SXQNJKPJSA-N 2 2 523.693 6.426 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC1 ZINC000473165267 562902946 /nfs/dbraw/zinc/90/29/46/562902946.db2.gz VMHYHAFCWNMERH-UKIBZPOASA-N 2 2 514.016 5.944 1 0 KKAFLP CC(=O)c1c(C)[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473183399 562903591 /nfs/dbraw/zinc/90/35/91/562903591.db2.gz ZQLZSVZVVIDGDF-IRJFHVNHSA-N 2 2 500.470 6.379 1 0 KKAFLP O=S(=O)(c1ccc(C2=C[C@@H]3[NH+]=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609774 562905720 /nfs/dbraw/zinc/90/57/20/562905720.db2.gz UXEZNMPSFXNTRD-LBNVMWSVSA-N 2 2 595.146 5.317 1 0 KKAFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)c(OC)cc6[C@@H](C5)[N@@H+]4C)cc32)cc1 ZINC000095486210 565174088 /nfs/dbraw/zinc/17/40/88/565174088.db2.gz FYMPOGVSVFWCEF-DCMFLLSESA-N 2 2 608.735 6.475 1 0 biogenic,in-vitro KKAFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)c(OC)cc6[C@@H](C5)[N@H+]4C)cc32)cc1 ZINC000095486210 565174096 /nfs/dbraw/zinc/17/40/96/565174096.db2.gz FYMPOGVSVFWCEF-DCMFLLSESA-N 2 2 608.735 6.475 1 0 biogenic,in-vitro KKAFLP C[NH2+]CC[NH2+]CC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595797 291951855 /nfs/dbraw/zinc/95/18/55/291951855.db2.gz AXNOELZFYCDSCL-HDJQEDSCSA-N 2 2 608.776 5.125 1 0 biogenic,in-vitro KKAFLP C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000003934165 561688241 /nfs/dbraw/zinc/68/82/41/561688241.db2.gz NJYXPRQYHXQQOR-VWLOTQADSA-N 2 2 540.752 5.897 1 0 KKAFLP COc1cc2c(cc1OCC[NH2+]CCO)[nH+]ccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000003938685 561688892 /nfs/dbraw/zinc/68/88/92/561688892.db2.gz VQCDZFWRGXFUMS-UHFFFAOYSA-N 2 2 501.627 6.038 1 0 in-vivo KKAFLP CC[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000003975895 561691912 /nfs/dbraw/zinc/69/19/12/561691912.db2.gz RNPJZURAMHJCGB-YTTGMZPUSA-N 2 2 562.758 6.939 1 0 KKAFLP COc1ccc(-n2nc(Cn3cc[nH+]c3)c3nc(C)n(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4)c(=O)c32)cc1 ZINC000014950545 561745578 /nfs/dbraw/zinc/74/55/78/561745578.db2.gz VPVYKOHZRXOPHE-UHFFFAOYSA-N 2 2 571.685 5.396 1 0 KKAFLP C[N@@H+]1CCC[C@@H]1COc1cc(Nc2[nH]c3cc(Oc4ccnc5ccccc54)ccc3[nH+]2)ccc1C(F)(F)F ZINC000014965255 561749488 /nfs/dbraw/zinc/74/94/88/561749488.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 2 2 533.554 7.139 1 0 KKAFLP C[N@H+]1CCC[C@@H]1COc1cc(Nc2[nH]c3cc(Oc4ccnc5ccccc54)ccc3[nH+]2)ccc1C(F)(F)F ZINC000014965255 561749490 /nfs/dbraw/zinc/74/94/90/561749490.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 2 2 533.554 7.139 1 0 KKAFLP C[N@H+](CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000026018275 561766522 /nfs/dbraw/zinc/76/65/22/561766522.db2.gz JDCWWINOFGMBJY-UHFFFAOYSA-N 2 2 620.770 5.912 1 0 KKAFLP C[N@@H+](CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000026018275 561766523 /nfs/dbraw/zinc/76/65/23/561766523.db2.gz JDCWWINOFGMBJY-UHFFFAOYSA-N 2 2 620.770 5.912 1 0 KKAFLP COc1c(-c2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)co2)cc(Br)c2ccccc21 ZINC000026172244 561770168 /nfs/dbraw/zinc/77/01/68/561770168.db2.gz DRRIHRQXXFYPBU-FQEVSTJZSA-N 2 2 506.444 5.878 1 0 KKAFLP COc1c(-c2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)co2)cc(Br)c2ccccc21 ZINC000026172244 561770169 /nfs/dbraw/zinc/77/01/69/561770169.db2.gz DRRIHRQXXFYPBU-FQEVSTJZSA-N 2 2 506.444 5.878 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026183904 561772301 /nfs/dbraw/zinc/77/23/01/561772301.db2.gz RJSLEEVKHLKNSO-UHFFFAOYSA-N 2 2 667.295 5.278 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026262046 561775631 /nfs/dbraw/zinc/77/56/31/561775631.db2.gz PBDSLBBYXQQLNV-UHFFFAOYSA-N 2 2 671.714 5.923 1 0 KKAFLP COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)C3 ZINC000026403363 561789057 /nfs/dbraw/zinc/78/90/57/561789057.db2.gz DICOBUHJULWHPR-VWLOTQADSA-N 2 2 526.681 5.624 1 0 KKAFLP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(Cl)c(Cl)s1 ZINC000026576914 561800831 /nfs/dbraw/zinc/80/08/31/561800831.db2.gz QOFAUGXZWPNQDY-UHFFFAOYSA-N 2 2 577.003 5.045 1 0 KKAFLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)ccc1-2 ZINC000026647157 561807647 /nfs/dbraw/zinc/80/76/47/561807647.db2.gz ZNBINDDZICZOBG-UHFFFAOYSA-N 2 2 642.804 5.200 1 0 KKAFLP CC1CC[NH+](CCCCCCCC(=O)Nc2cc(CO)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026716691 561814249 /nfs/dbraw/zinc/81/42/49/561814249.db2.gz HFTWDZZJDOKKHB-UHFFFAOYSA-N 2 2 523.121 7.135 1 0 KKAFLP C[C@H]([NH2+]CCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817021 561820380 /nfs/dbraw/zinc/82/03/80/561820380.db2.gz CWQFUYIPHGCENY-FCVSRBRRSA-N 2 2 517.802 7.049 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000027081430 561835127 /nfs/dbraw/zinc/83/51/27/561835127.db2.gz MWFUUYPTTPCXEY-SDZVROEXSA-N 2 2 675.871 5.210 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(F)cc1 ZINC000027081430 561835128 /nfs/dbraw/zinc/83/51/28/561835128.db2.gz MWFUUYPTTPCXEY-SDZVROEXSA-N 2 2 675.871 5.210 1 0 KKAFLP COc1cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843821 561826290 /nfs/dbraw/zinc/82/62/90/561826290.db2.gz RMHALYQZHFLFFL-LJAQVGFWSA-N 2 2 655.623 5.299 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC000027081964 561835255 /nfs/dbraw/zinc/83/52/55/561835255.db2.gz PIAPBQYSIJZAPM-DPGDXNODSA-N 2 2 687.907 5.080 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC000027081964 561835257 /nfs/dbraw/zinc/83/52/57/561835257.db2.gz PIAPBQYSIJZAPM-DPGDXNODSA-N 2 2 687.907 5.080 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000027073587 561833886 /nfs/dbraw/zinc/83/38/86/561833886.db2.gz HAELTQWQFNWTBQ-FBBJSWSOSA-N 2 2 657.881 5.071 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000027073587 561833888 /nfs/dbraw/zinc/83/38/88/561833888.db2.gz HAELTQWQFNWTBQ-FBBJSWSOSA-N 2 2 657.881 5.071 1 0 KKAFLP CCCN(c1cccc[nH+]1)C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859866 /nfs/dbraw/zinc/85/98/66/561859866.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 2 2 518.746 5.512 1 0 KKAFLP CCCN(c1cccc[nH+]1)C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859868 /nfs/dbraw/zinc/85/98/68/561859868.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 2 2 518.746 5.512 1 0 KKAFLP CN(C[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027436979 561860223 /nfs/dbraw/zinc/86/02/23/561860223.db2.gz IXFOAHRLJSIABO-SANMLTNESA-N 2 2 555.607 6.417 1 0 KKAFLP Clc1ccc2c(NCCCOCCCCOCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027436994 561860380 /nfs/dbraw/zinc/86/03/80/561860380.db2.gz QJFFLLADPAOIBK-UHFFFAOYSA-N 2 2 527.496 7.207 1 0 KKAFLP COc1ccccc1[C@@H]([C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517325 561861060 /nfs/dbraw/zinc/86/10/60/561861060.db2.gz OIPUCUYEXWXJEQ-PXJZQJOASA-N 2 2 611.671 7.419 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000027547946 561867319 /nfs/dbraw/zinc/86/73/19/561867319.db2.gz JCYZHZLOVJMVOX-UHFFFAOYSA-N 2 2 541.477 6.830 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000028538560 561935176 /nfs/dbraw/zinc/93/51/76/561935176.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000028538560 561935177 /nfs/dbraw/zinc/93/51/77/561935177.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CC[N@H+]1C ZINC000028538560 561935178 /nfs/dbraw/zinc/93/51/78/561935178.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CC[N@@H+]1C ZINC000028538560 561935179 /nfs/dbraw/zinc/93/51/79/561935179.db2.gz CUWLASKQLWUARF-CLJLJLNGSA-N 2 2 548.639 6.645 1 0 KKAFLP O=C(CCCCc1ccccc1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714030 561954357 /nfs/dbraw/zinc/95/43/57/561954357.db2.gz VFAUJOHXJJLUGE-UHFFFAOYSA-N 2 2 522.137 5.227 1 0 KKAFLP O=C(CCCCc1ccccc1)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714030 561954359 /nfs/dbraw/zinc/95/43/59/561954359.db2.gz VFAUJOHXJJLUGE-UHFFFAOYSA-N 2 2 522.137 5.227 1 0 KKAFLP O=C(CCCc1c[nH]c2ccccc12)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714016 561954455 /nfs/dbraw/zinc/95/44/55/561954455.db2.gz NFRCQVVXANJLNS-UHFFFAOYSA-N 2 2 547.147 5.318 1 0 KKAFLP O=C(CCCc1c[nH]c2ccccc12)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714016 561954456 /nfs/dbraw/zinc/95/44/56/561954456.db2.gz NFRCQVVXANJLNS-UHFFFAOYSA-N 2 2 547.147 5.318 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(Cl)cc(Cl)c1 ZINC000028714033 561954463 /nfs/dbraw/zinc/95/44/63/561954463.db2.gz QWCZJWWYSIXZOO-UHFFFAOYSA-N 2 2 534.919 5.435 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(Cl)cc(Cl)c1 ZINC000028714033 561954464 /nfs/dbraw/zinc/95/44/64/561954464.db2.gz QWCZJWWYSIXZOO-UHFFFAOYSA-N 2 2 534.919 5.435 1 0 KKAFLP CNC(=O)c1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823404 561967952 /nfs/dbraw/zinc/96/79/52/561967952.db2.gz DADQHECQKQBHAW-UHFFFAOYSA-N 2 2 574.814 6.550 1 0 KKAFLP C[NH+]1CCC(Cn2c3ccccc3c3cc(C(=O)N4CC[NH+](C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 ZINC000028889637 561978018 /nfs/dbraw/zinc/97/80/18/561978018.db2.gz QQSBLRVDNSHDAC-UHFFFAOYSA-N 2 2 531.100 5.970 1 0 KKAFLP C[NH+](CCC[N@@H+](C)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029205364 562005115 /nfs/dbraw/zinc/00/51/15/562005115.db2.gz BTOUXBIKDFEGTL-UHFFFAOYSA-N 2 2 660.821 6.568 1 0 KKAFLP C[NH+](CCC[N@H+](C)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029205364 562005116 /nfs/dbraw/zinc/00/51/16/562005116.db2.gz BTOUXBIKDFEGTL-UHFFFAOYSA-N 2 2 660.821 6.568 1 0 KKAFLP O=C(CCCCCCC[NH+]1CCCCC1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029408335 562021244 /nfs/dbraw/zinc/02/12/44/562021244.db2.gz UZUHWGICSCOJGQ-UHFFFAOYSA-N 3 2 661.722 8.072 1 0 KKAFLP c1ccc(-c2ccccc2C[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000034893355 562044010 /nfs/dbraw/zinc/04/40/10/562044010.db2.gz VMSXOJFAOPXPFB-UHFFFAOYSA-N 4 2 520.765 6.250 1 0 KKAFLP [NH3+]CC[NH2+][C@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285819 562054537 /nfs/dbraw/zinc/05/45/37/562054537.db2.gz OMCXUMCRYQFZNQ-MUUNZHRXSA-N 2 2 573.540 5.220 1 0 KKAFLP O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCN(CCC[NH+]4CCOCC4)CC3)ccc2c1 ZINC000038149726 562066123 /nfs/dbraw/zinc/06/61/23/562066123.db2.gz CXZNETVGABHSHU-UHFFFAOYSA-N 2 2 615.203 5.156 1 0 KKAFLP c1cc[n+](CCCC2=CNc3ccccc3NC=C(CCC[n+]3ccccc3)C=[NH+]c3ccccc3N=C2)cc1 ZINC000040619725 562078563 /nfs/dbraw/zinc/07/85/63/562078563.db2.gz CVWJFRVBPNSGDW-UHFFFAOYSA-N 3 2 528.704 6.932 1 0 KKAFLP O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[N@@H+](C[C@@]56C[C@H](CC1)[NH+]2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089784 /nfs/dbraw/zinc/08/97/84/562089784.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 2 2 562.758 6.623 1 0 KKAFLP O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[N@H+](C[C@@]56C[C@H](CC1)[NH+]2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089785 /nfs/dbraw/zinc/08/97/85/562089785.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 2 2 562.758 6.623 1 0 KKAFLP O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[NH+](C[C@@]56C[C@H](CC1)[N@H+]2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089787 /nfs/dbraw/zinc/08/97/87/562089787.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 2 2 562.758 6.623 1 0 KKAFLP O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[NH+](C[C@@]56C[C@H](CC1)[N@@H+]2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089788 /nfs/dbraw/zinc/08/97/88/562089788.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 2 2 562.758 6.623 1 0 KKAFLP C[NH+]1CCN(c2nccc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc32)CC1 ZINC000044280380 562652837 /nfs/dbraw/zinc/65/28/37/562652837.db2.gz PZFNMEWHFCZOJU-UHFFFAOYSA-N 2 2 621.793 6.275 1 0 KKAFLP C[NH+]1CCN(c2nccc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc32)CC1 ZINC000044280380 562652838 /nfs/dbraw/zinc/65/28/38/562652838.db2.gz PZFNMEWHFCZOJU-UHFFFAOYSA-N 2 2 621.793 6.275 1 0 KKAFLP C[NH+]1CCN(c2cc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3cn2)CC1 ZINC000044307022 562653907 /nfs/dbraw/zinc/65/39/07/562653907.db2.gz HGJRXEBEESPYHD-UHFFFAOYSA-N 2 2 621.793 6.275 1 0 KKAFLP C[NH+]1CCN(c2cc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3cn2)CC1 ZINC000044307022 562653908 /nfs/dbraw/zinc/65/39/08/562653908.db2.gz HGJRXEBEESPYHD-UHFFFAOYSA-N 2 2 621.793 6.275 1 0 KKAFLP CC(C)[NH+]1CCN([C@@H](C[NH+]2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318791 562660915 /nfs/dbraw/zinc/66/09/15/562660915.db2.gz FLEFAPOLARGJQP-UMSFTDKQSA-N 2 2 544.759 5.647 1 0 KKAFLP Cc1cc2[nH+]c(N3CCCC[C@H]3C[NH+](C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384722 562662311 /nfs/dbraw/zinc/66/23/11/562662311.db2.gz LKPKWKNXRZOSEF-DEOSSOPVSA-N 2 2 532.773 6.757 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000048307333 562662927 /nfs/dbraw/zinc/66/29/27/562662927.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 2 2 546.202 6.547 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000048307333 562662928 /nfs/dbraw/zinc/66/29/28/562662928.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 2 2 546.202 6.547 1 0 KKAFLP CC(C)[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000049604954 562665118 /nfs/dbraw/zinc/66/51/18/562665118.db2.gz LNLRTCHOFHKJKW-DHUJRADRSA-N 2 2 576.785 7.185 1 0 KKAFLP FC(F)(F)c1cccc2c1[nH+]cc(C1N=NC(=S)N1Cc1ccccc1)c2N1CC[NH+](C2CCCCC2)CC1 ZINC000049694636 562669603 /nfs/dbraw/zinc/66/96/03/562669603.db2.gz RWXVYCAUKCECQA-UHFFFAOYSA-N 2 2 552.670 6.304 1 0 KKAFLP Cc1ccc(C(OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000049694850 562669853 /nfs/dbraw/zinc/66/98/53/562669853.db2.gz QKABGOLJDASWHS-LQFQNGICSA-N 2 2 596.812 5.733 1 0 KKAFLP Cc1cc(OC[C@@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cc(OC[C@@H]5CCCO5)c4c3)ccc2[nH+]1 ZINC000049722985 562672767 /nfs/dbraw/zinc/67/27/67/562672767.db2.gz MZWJZNPINJXXFH-ZEQRLZLVSA-N 2 2 570.646 5.093 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCC[C@H]3CCC[N@@H+]3C)nc21 ZINC000049723234 562673109 /nfs/dbraw/zinc/67/31/09/562673109.db2.gz UOYQTZDZPSCJOI-QGZVFWFLSA-N 2 2 574.558 5.868 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCC[C@H]3CCC[N@H+]3C)nc21 ZINC000049723234 562673110 /nfs/dbraw/zinc/67/31/10/562673110.db2.gz UOYQTZDZPSCJOI-QGZVFWFLSA-N 2 2 574.558 5.868 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744991 562673598 /nfs/dbraw/zinc/67/35/98/562673598.db2.gz DVIHZVCGTLUNKJ-MSEJLTFDSA-N 2 2 619.766 5.167 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049744993 562673616 /nfs/dbraw/zinc/67/36/16/562673616.db2.gz DVIHZVCGTLUNKJ-JUKUECOXSA-N 2 2 619.766 5.167 1 0 KKAFLP C[NH2+]CCCN(C)C(=O)Oc1c(Br)c(C)[nH+]c(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049745508 562673901 /nfs/dbraw/zinc/67/39/01/562673901.db2.gz XQWLAAMKJITTFG-UHFFFAOYSA-N 2 2 582.417 6.859 1 0 KKAFLP Cc1[nH+]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000049745703 562674031 /nfs/dbraw/zinc/67/40/31/562674031.db2.gz ICZJRPNFYSRRMY-UHFFFAOYSA-N 2 2 570.995 7.991 1 0 KKAFLP Cc1cccc(NC(=O)c2ccc(C)c(Nc3[nH+]c4ccccc4n3-c3cc(NCCN4CC[NH+](C)CC4)ncn3)c2)c1 ZINC000049780460 562681760 /nfs/dbraw/zinc/68/17/60/562681760.db2.gz BLOGCIUNNJYXBR-UHFFFAOYSA-N 2 2 575.721 5.088 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792792 562684475 /nfs/dbraw/zinc/68/44/75/562684475.db2.gz DPSGNUCYQIFAFM-QWKHHPMFSA-N 2 2 668.966 10.053 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792792 562684476 /nfs/dbraw/zinc/68/44/76/562684476.db2.gz DPSGNUCYQIFAFM-QWKHHPMFSA-N 2 2 668.966 10.053 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792792 562684477 /nfs/dbraw/zinc/68/44/77/562684477.db2.gz DPSGNUCYQIFAFM-QWKHHPMFSA-N 2 2 668.966 10.053 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792792 562684478 /nfs/dbraw/zinc/68/44/78/562684478.db2.gz DPSGNUCYQIFAFM-QWKHHPMFSA-N 2 2 668.966 10.053 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049898415 562692531 /nfs/dbraw/zinc/69/25/31/562692531.db2.gz LLLMQELQQHOHOI-UHFFFAOYSA-N 2 2 667.295 5.276 1 0 KKAFLP FC(F)(F)c1ccc2c(NCCC[NH+]3CCN(c4cc[nH+]c5cc(C(F)(F)F)ccc54)CC3)cc[nH+]c2c1 ZINC000064527797 562707174 /nfs/dbraw/zinc/70/71/74/562707174.db2.gz NOFVUSFDHWXYEF-UHFFFAOYSA-N 3 2 533.520 6.445 1 0 KKAFLP C[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000064548918 562707954 /nfs/dbraw/zinc/70/79/54/562707954.db2.gz LDLBFITVAGVRNV-UHFFFAOYSA-N 3 2 558.090 5.345 1 0 KKAFLP C[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064548918 562707955 /nfs/dbraw/zinc/70/79/55/562707955.db2.gz LDLBFITVAGVRNV-UHFFFAOYSA-N 2 2 558.090 5.345 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc(N2CCCCC2)n1 ZINC000066074078 562709669 /nfs/dbraw/zinc/70/96/69/562709669.db2.gz DYGCNAYMPPFBJV-UHFFFAOYSA-N 2 2 546.123 6.304 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097315 562710773 /nfs/dbraw/zinc/71/07/73/562710773.db2.gz OGNORWCOELPFMG-RUZDIDTESA-N 2 2 502.684 5.134 1 0 KKAFLP Cc1ccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000066104981 562711814 /nfs/dbraw/zinc/71/18/14/562711814.db2.gz DRIPUVZVZIMASL-UHFFFAOYSA-N 2 2 552.086 6.364 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715684 /nfs/dbraw/zinc/71/56/84/562715684.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 2 2 679.809 6.566 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715685 /nfs/dbraw/zinc/71/56/85/562715685.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 2 2 679.809 6.566 1 0 KKAFLP CC(C)Oc1cc(NC(=[NH2+])c2ccc(N)cn2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccc(N)cn3)cc2OC(C)C)o1 ZINC000072112314 562722048 /nfs/dbraw/zinc/72/20/48/562722048.db2.gz UMIGGQJXHHMUGJ-UHFFFAOYSA-N 2 2 604.715 7.017 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129927 562726598 /nfs/dbraw/zinc/72/65/98/562726598.db2.gz FDOKOHKREXFVQN-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129927 562726599 /nfs/dbraw/zinc/72/65/99/562726599.db2.gz FDOKOHKREXFVQN-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP C[C@H](Nc1cc(N2CCC[C@H]([N@@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000073198247 562735613 /nfs/dbraw/zinc/73/56/13/562735613.db2.gz FJAVFDVEPOTXLF-CUNXSJBXSA-N 2 2 525.100 6.392 1 0 KKAFLP C[C@H](Nc1cc(N2CCC[C@H]([N@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000073198247 562735614 /nfs/dbraw/zinc/73/56/14/562735614.db2.gz FJAVFDVEPOTXLF-CUNXSJBXSA-N 2 2 525.100 6.392 1 0 KKAFLP C[N@@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000073198355 562735669 /nfs/dbraw/zinc/73/56/69/562735669.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 2 2 514.505 5.384 1 0 KKAFLP C[N@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000073198355 562735670 /nfs/dbraw/zinc/73/56/70/562735670.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 2 2 514.505 5.384 1 0 KKAFLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073219645 562736222 /nfs/dbraw/zinc/73/62/22/562736222.db2.gz LWPKSWPTIIGBGQ-UFLJZRJVSA-N 2 2 504.700 5.104 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000073351284 562738253 /nfs/dbraw/zinc/73/82/53/562738253.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000073351284 562738254 /nfs/dbraw/zinc/73/82/54/562738254.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CC[N@H+]1C ZINC000073351284 562738255 /nfs/dbraw/zinc/73/82/55/562738255.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CC[N@@H+]1C ZINC000073351284 562738256 /nfs/dbraw/zinc/73/82/56/562738256.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N 2 2 548.639 6.645 1 0 KKAFLP COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CC[NH2+]C3CC3)ccc2Cl)C2CC2)cc1 ZINC000082153267 562740183 /nfs/dbraw/zinc/74/01/83/562740183.db2.gz JWSLCJYWKOZTQB-UUWRZZSWSA-N 2 2 661.243 5.125 1 0 KKAFLP COC(=O)[C@H](CCCC[NH3+])[NH+](Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000084402610 562742952 /nfs/dbraw/zinc/74/29/52/562742952.db2.gz OMNYLWJEBSUDFO-UMSFTDKQSA-N 2 2 552.715 6.517 1 0 KKAFLP Cc1ccc2[nH+]c(N(C)C)nc(NCc3ccc(C(=O)NC4CC[NH+](Cc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084617370 562744869 /nfs/dbraw/zinc/74/48/69/562744869.db2.gz WHQVOTXBLAETFF-UHFFFAOYSA-N 2 2 526.660 5.150 1 0 KKAFLP C[C@@H](Oc1cc(-c2cc(-c3cccc(C[NH+](C)C)c3)c[nH+]c2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654627 562747284 /nfs/dbraw/zinc/74/72/84/562747284.db2.gz SJDSHZKOFYRALI-GOSISDBHSA-N 2 2 534.582 6.317 1 0 KKAFLP Clc1ccc2c(NCCC[NH2+]Cc3ccc(-c4ccc(-c5ccc(C[NH2+]CCCNc6cc[nH+]c7cc(Cl)ccc67)cc5)s4)cc3)cc[nH+]c2c1 ZINC000084710369 562750494 /nfs/dbraw/zinc/75/04/94/562750494.db2.gz PNSWLESSSAWXHT-UHFFFAOYSA-N 4 2 731.797 10.669 1 0 KKAFLP C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(C(=O)CCCCCCCCC(=O)N3c4ccc(Cl)cc4N=C(N4CC[NH+](C)CC4)c4ccccc43)c3ccccc32)CC1 ZINC000095550333 562760098 /nfs/dbraw/zinc/76/00/98/562760098.db2.gz PEXULPFPDMJMCB-UHFFFAOYSA-N 2 2 819.882 9.422 1 0 KKAFLP O=C(CN(N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000095610730 562784582 /nfs/dbraw/zinc/78/45/82/562784582.db2.gz XGWVIOHVJIXJHZ-RRHRGVEJSA-N 2 2 793.901 6.877 1 0 KKAFLP C#[N+]c1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174092 562791630 /nfs/dbraw/zinc/79/16/30/562791630.db2.gz DQYBYJWDNGTPCE-UHFFFAOYSA-N 2 2 538.615 5.562 1 0 KKAFLP Cc1cc(=O)oc2cc(OCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271839 562793911 /nfs/dbraw/zinc/79/39/11/562793911.db2.gz BGOVDTOQIRZTJP-UHFFFAOYSA-N 2 2 568.718 5.334 1 0 KKAFLP O=C(CN1CC[NH+](CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271834 562793932 /nfs/dbraw/zinc/79/39/32/562793932.db2.gz XAPQIBLRQAOZQR-UHFFFAOYSA-N 2 2 568.718 5.416 1 0 KKAFLP O=c1cc(-c2ccccc2)oc2cc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc(O)c12 ZINC000096285560 562795882 /nfs/dbraw/zinc/79/58/82/562795882.db2.gz VBAJECZQEAYMJO-UHFFFAOYSA-N 2 2 618.778 6.481 1 0 KKAFLP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCNc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3 ZINC000098082455 562805247 /nfs/dbraw/zinc/80/52/47/562805247.db2.gz YOXXIBFRJFXOCW-UHFFFAOYSA-N 2 2 502.684 5.132 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)c1ccccc1)C2 ZINC000100076383 562806647 /nfs/dbraw/zinc/80/66/47/562806647.db2.gz PCTGVUVZMRLXPO-NZEZUYSSSA-N 2 2 616.810 6.995 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)c1ccccc1)C2 ZINC000100076383 562806648 /nfs/dbraw/zinc/80/66/48/562806648.db2.gz PCTGVUVZMRLXPO-NZEZUYSSSA-N 2 2 616.810 6.995 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCCC1)C2 ZINC000100076399 562806680 /nfs/dbraw/zinc/80/66/80/562806680.db2.gz ZWNFPZMDGAJTDD-VZRBIBDDSA-N 2 2 608.831 6.872 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCCC1)C2 ZINC000100076399 562806681 /nfs/dbraw/zinc/80/66/81/562806681.db2.gz ZWNFPZMDGAJTDD-VZRBIBDDSA-N 2 2 608.831 6.872 1 0 KKAFLP CCN(CC)C(=O)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193536 562809794 /nfs/dbraw/zinc/80/97/94/562809794.db2.gz BSIFCMAWFLQILY-WLNZHLEZSA-N 2 2 527.757 6.398 1 0 KKAFLP CCN(CC)C(=O)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193536 562809795 /nfs/dbraw/zinc/80/97/95/562809795.db2.gz BSIFCMAWFLQILY-WLNZHLEZSA-N 2 2 527.757 6.398 1 0 KKAFLP CN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)c(F)c4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367554 562810464 /nfs/dbraw/zinc/81/04/64/562810464.db2.gz SKBWQUPLWQUWPH-WGSAOQKQSA-N 2 2 576.080 5.484 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235743 562818718 /nfs/dbraw/zinc/81/87/18/562818718.db2.gz ICSKIEUWVASLGU-BSFYYBBGSA-N 2 2 583.604 7.788 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235743 562818719 /nfs/dbraw/zinc/81/87/19/562818719.db2.gz ICSKIEUWVASLGU-BSFYYBBGSA-N 2 2 583.604 7.788 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261471 562821369 /nfs/dbraw/zinc/82/13/69/562821369.db2.gz LAMYCJIXYOSQFI-MUUNZHRXSA-N 2 2 592.584 5.882 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261471 562821370 /nfs/dbraw/zinc/82/13/70/562821370.db2.gz LAMYCJIXYOSQFI-MUUNZHRXSA-N 2 2 592.584 5.882 1 0 KKAFLP [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035874 562827076 /nfs/dbraw/zinc/82/70/76/562827076.db2.gz XCIFPBRCAMMOCR-IBGZPJMESA-N 2 2 532.019 6.059 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cccc(C[NH+](C)C)c4)c3c2)cc(Cl)c1O ZINC000114036490 562827135 /nfs/dbraw/zinc/82/71/35/562827135.db2.gz UFKYZXYZLCQHOX-UHFFFAOYSA-N 2 2 502.014 6.667 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([NH+](C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798414 562830740 /nfs/dbraw/zinc/83/07/40/562830740.db2.gz GYPIVOQVWAXHTL-CQEVQQNYSA-N 2 2 590.208 7.292 1 0 KKAFLP C[NH+]1CCN(C[C@@H](O)COc2c(Br)cc(C3(c4cc(Br)c(OC[C@H](O)CN5CC[NH+](C)CC5)c(Br)c4)CCCC3)cc2Br)CC1 ZINC000150572101 562845137 /nfs/dbraw/zinc/84/51/37/562845137.db2.gz FRIJBBZZVJQGPH-CLJLJLNGSA-N 2 2 882.371 5.571 1 0 KKAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C[C@H]6CCC[N@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529206 562849348 /nfs/dbraw/zinc/84/93/48/562849348.db2.gz ZOZVPIRGEIVLGJ-QFIPXVFZSA-N 2 2 649.722 5.215 1 0 KKAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C[C@H]6CCC[N@@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529206 562849349 /nfs/dbraw/zinc/84/93/49/562849349.db2.gz ZOZVPIRGEIVLGJ-QFIPXVFZSA-N 2 2 649.722 5.215 1 0 KKAFLP CC(C)[NH+]1CCN(CC(=O)Nc2cc(Oc3ccc4c(c3)[nH+]c(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1 ZINC000166699783 562850526 /nfs/dbraw/zinc/85/05/26/562850526.db2.gz ZKNOTFQILSPCMY-UHFFFAOYSA-N 2 2 585.606 5.627 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3cccc(F)c3)n2)CC1 ZINC000169322268 562856808 /nfs/dbraw/zinc/85/68/08/562856808.db2.gz RWAVUILCMVIXAP-UHFFFAOYSA-N 2 2 570.076 6.585 1 0 KKAFLP O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCc5[nH+]cccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327459 562858101 /nfs/dbraw/zinc/85/81/01/562858101.db2.gz UGHYNFYBSSXCOO-PTUXOGIPSA-N 2 2 531.726 5.712 1 0 KKAFLP C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000169361172 562864196 /nfs/dbraw/zinc/86/41/96/562864196.db2.gz RTJZMWSCHLSZOW-GRKNLSHJSA-N 2 2 591.196 6.780 1 0 KKAFLP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000169361172 562864197 /nfs/dbraw/zinc/86/41/97/562864197.db2.gz RTJZMWSCHLSZOW-GRKNLSHJSA-N 2 2 591.196 6.780 1 0 KKAFLP CC(=O)OC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697635 562866497 /nfs/dbraw/zinc/86/64/97/562866497.db2.gz DKADWWCHCFQWRZ-UHFFFAOYSA-N 2 2 575.673 5.350 1 0 KKAFLP O=C(CC[NH+]1CCOCC1)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC(=O)CC[NH+]3CCOCC3)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698225 562867031 /nfs/dbraw/zinc/86/70/31/562867031.db2.gz FBGOFGHVFTXEHV-KKLWWLSJSA-N 2 2 875.858 5.152 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000203987772 562874307 /nfs/dbraw/zinc/87/43/07/562874307.db2.gz CHOFQCXHQXMKTL-UHFFFAOYSA-N 2 2 520.008 5.883 1 0 KKAFLP CCCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(C[NH+](C)C)cc1 ZINC000219346857 562878030 /nfs/dbraw/zinc/87/80/30/562878030.db2.gz JRJWMURUNQTVCO-UHFFFAOYSA-N 2 2 504.030 7.057 1 0 KKAFLP C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000219381803 562878178 /nfs/dbraw/zinc/87/81/78/562878178.db2.gz KDAYLEBBCHJLHH-UHFFFAOYSA-N 2 2 518.032 7.578 1 0 KKAFLP Nc1[nH+]cnc2c1c(-c1ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c1)nn2[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC000253665700 562882669 /nfs/dbraw/zinc/88/26/69/562882669.db2.gz LIAHZGBRLZUXFH-WGSAOQKQSA-N 2 2 577.520 5.665 1 0 KKAFLP Nc1[nH+]cnc2c1c(-c1ccc3[nH]c(Cc4c(Cl)cccc4Cl)nc3c1)nn2[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC000253665700 562882670 /nfs/dbraw/zinc/88/26/70/562882670.db2.gz LIAHZGBRLZUXFH-WGSAOQKQSA-N 2 2 577.520 5.665 1 0 KKAFLP COCC(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473081299 562896631 /nfs/dbraw/zinc/89/66/31/562896631.db2.gz CAFYOFMRFOIFOW-IGYGKHONSA-N 2 2 523.693 6.006 1 0 KKAFLP COCC(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473081299 562896632 /nfs/dbraw/zinc/89/66/32/562896632.db2.gz CAFYOFMRFOIFOW-IGYGKHONSA-N 2 2 523.693 6.006 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473165246 562902932 /nfs/dbraw/zinc/90/29/32/562902932.db2.gz TTXYXNAGFDQSJT-RUCARUNLSA-N 2 2 500.470 6.461 1 0 KKAFLP 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 562902960 /nfs/dbraw/zinc/90/29/60/562902960.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 2 2 528.480 5.576 1 0 KKAFLP 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 562902961 /nfs/dbraw/zinc/90/29/61/562902961.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 2 2 528.480 5.576 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000473179716 562903451 /nfs/dbraw/zinc/90/34/51/562903451.db2.gz HXRLOEMGARLZIA-DUXKGJEZSA-N 2 2 527.496 5.542 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000473179716 562903452 /nfs/dbraw/zinc/90/34/52/562903452.db2.gz HXRLOEMGARLZIA-DUXKGJEZSA-N 2 2 527.496 5.542 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000473197877 562903679 /nfs/dbraw/zinc/90/36/79/562903679.db2.gz JTPDTMCQGLNTTC-DRGJWEBESA-N 2 2 557.522 5.751 1 0 KKAFLP COc1ccc(Cn2c3ccsc3c(C[NH2+][C@@H](C)c3ccccc3)c2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000653796430 562913130 /nfs/dbraw/zinc/91/31/30/562913130.db2.gz SGLAYWKDSWOYPA-SANMLTNESA-N 2 2 578.782 6.569 1 0 KKAFLP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916986 /nfs/dbraw/zinc/91/69/86/562916986.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 2 2 519.652 5.309 1 0 KKAFLP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916987 /nfs/dbraw/zinc/91/69/87/562916987.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 2 2 519.652 5.309 1 0 KKAFLP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916988 /nfs/dbraw/zinc/91/69/88/562916988.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 2 2 519.652 5.309 1 0 KKAFLP O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916989 /nfs/dbraw/zinc/91/69/89/562916989.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 2 2 519.652 5.309 1 0 KKAFLP CCC[NH2+][C@@H](C[NH2+]C)C1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595769 565154053 /nfs/dbraw/zinc/15/40/53/565154053.db2.gz ONNQDVMAHUNDFK-AISHCKFISA-N 2 2 636.830 5.903 1 0 biogenic,in-vitro KKAFLP CN1C[C@@H](c2ccccc2)[N@H+](CCCCN2C[C@@H](c3ccccc3)[NH+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758873 /nfs/dbraw/zinc/75/88/73/561758873.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 2 558.814 7.227 1 0 KKAFLP CN1C[C@@H](c2ccccc2)[N@@H+](CCCCN2C[C@@H](c3ccccc3)[NH+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758875 /nfs/dbraw/zinc/75/88/75/561758875.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 2 558.814 7.227 1 0 KKAFLP CN1C[C@@H](c2ccccc2)[NH+](CCCCN2C[C@@H](c3ccccc3)[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758876 /nfs/dbraw/zinc/75/88/76/561758876.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 2 558.814 7.227 1 0 KKAFLP CN1C[C@@H](c2ccccc2)[NH+](CCCCN2C[C@@H](c3ccccc3)[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758878 /nfs/dbraw/zinc/75/88/78/561758878.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 2 558.814 7.227 1 0 KKAFLP COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000022453262 561759361 /nfs/dbraw/zinc/75/93/61/561759361.db2.gz LGNBQFHEQKEZPV-ROJLCIKYSA-N 2 2 510.678 6.069 1 0 KKAFLP COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1Cn1cc[nH+]c1 ZINC000026396654 561787137 /nfs/dbraw/zinc/78/71/37/561787137.db2.gz RNSBYFTUPUCXPI-UHFFFAOYSA-N 2 2 523.637 5.185 1 0 KKAFLP CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CC[NH+](C)CC5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026579760 561805197 /nfs/dbraw/zinc/80/51/97/561805197.db2.gz UWHZXDTYTDZLHA-XNTDXEJSSA-N 2 2 689.644 5.333 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCC[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026674919 561813794 /nfs/dbraw/zinc/81/37/94/561813794.db2.gz QTQUJTULPNBWLD-UHFFFAOYSA-N 3 2 606.211 7.146 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843211 561826159 /nfs/dbraw/zinc/82/61/59/561826159.db2.gz WSYQSMJFBSIBRN-GDLZYMKVSA-N 2 2 701.539 7.311 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848223 561826891 /nfs/dbraw/zinc/82/68/91/561826891.db2.gz YYLWLQSLLOQPBL-LJAQVGFWSA-N 2 2 565.545 5.273 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027522713 561864655 /nfs/dbraw/zinc/86/46/55/561864655.db2.gz SACCLAHUORGRHA-UHFFFAOYSA-N 2 2 536.862 6.052 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027522713 561864657 /nfs/dbraw/zinc/86/46/57/561864657.db2.gz SACCLAHUORGRHA-UHFFFAOYSA-N 2 2 536.862 6.052 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027524252 561865521 /nfs/dbraw/zinc/86/55/21/561865521.db2.gz JHSRAFIAXWJDEF-UHFFFAOYSA-N 2 2 564.916 6.833 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027524252 561865522 /nfs/dbraw/zinc/86/55/22/561865522.db2.gz JHSRAFIAXWJDEF-UHFFFAOYSA-N 2 2 564.916 6.833 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2[C@@H](Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1 ZINC000027527246 561866777 /nfs/dbraw/zinc/86/67/77/561866777.db2.gz OYBVZJCDJJMVCO-LJAQVGFWSA-N 2 2 539.572 7.945 1 0 KKAFLP CN(CCCc1ccc(Cl)cc1)c1nc(N2CC[NH+](C3CCCC3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027633919 561874118 /nfs/dbraw/zinc/87/41/18/561874118.db2.gz GQHUTLHEBZVCAN-UHFFFAOYSA-N 2 2 550.151 5.019 1 0 KKAFLP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000027732387 561881388 /nfs/dbraw/zinc/88/13/88/561881388.db2.gz SDGLFROMTUFTNB-UHFFFAOYSA-N 2 2 556.728 5.985 1 0 KKAFLP Cc1[nH]c2ccc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)cc2[nH+]1 ZINC000027897867 561890559 /nfs/dbraw/zinc/89/05/59/561890559.db2.gz ONPNRCWCFNPMNG-BKLRJVBYSA-N 2 2 601.839 8.003 1 0 KKAFLP Cc1[nH]c2cc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)ccc2[nH+]1 ZINC000027897867 561890561 /nfs/dbraw/zinc/89/05/61/561890561.db2.gz ONPNRCWCFNPMNG-BKLRJVBYSA-N 2 2 601.839 8.003 1 0 KKAFLP CN(C)c1nc(NC2CCC([NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028129566 561905593 /nfs/dbraw/zinc/90/55/93/561905593.db2.gz PUTAQVRRQAPAQX-UHFFFAOYSA-N 2 2 538.412 5.870 1 0 KKAFLP CN(C)c1nc(NCC2CCC(C[N@H+](C)Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028134008 561906328 /nfs/dbraw/zinc/90/63/28/561906328.db2.gz KSWFHJFVFLWBLC-UHFFFAOYSA-N 2 2 580.493 6.707 1 0 KKAFLP CN(C)c1nc(NCC2CCC(C[N@@H+](C)Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000028134008 561906330 /nfs/dbraw/zinc/90/63/30/561906330.db2.gz KSWFHJFVFLWBLC-UHFFFAOYSA-N 2 2 580.493 6.707 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CC[NH+](C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565138 561935896 /nfs/dbraw/zinc/93/58/96/561935896.db2.gz ACWCZTSMEMBDNR-UHFFFAOYSA-N 3 2 626.659 5.225 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565138 561935899 /nfs/dbraw/zinc/93/58/99/561935899.db2.gz ACWCZTSMEMBDNR-UHFFFAOYSA-N 2 2 626.659 5.225 1 0 KKAFLP O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C(=O)N1[C@H]1CCCc2ccccc21 ZINC000028704485 561948545 /nfs/dbraw/zinc/94/85/45/561948545.db2.gz BAFGXZMFFXRBQV-HKBQPEDESA-N 2 2 563.677 5.888 1 0 KKAFLP COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5c[nH+]ccc5OC)cc4)CC3)C2=O)c1 ZINC000028704512 561948682 /nfs/dbraw/zinc/94/86/82/561948682.db2.gz IIFWQQSTZJCTCC-UHFFFAOYSA-N 2 2 580.660 5.909 1 0 KKAFLP Cc1ccc(N[C@H](O)c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818951 561965545 /nfs/dbraw/zinc/96/55/45/561965545.db2.gz UIQVTQZGYNQWLN-KCWXNJEJSA-N 2 2 592.670 5.491 1 0 KKAFLP Cc1ccc(N[C@H](O)c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028818951 561965546 /nfs/dbraw/zinc/96/55/46/561965546.db2.gz UIQVTQZGYNQWLN-KCWXNJEJSA-N 2 2 592.670 5.491 1 0 KKAFLP COc1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823402 561967959 /nfs/dbraw/zinc/96/79/59/561967959.db2.gz YXQLMJXUEWTNKD-UHFFFAOYSA-N 2 2 547.788 7.199 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(C(N)=O)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823405 561967963 /nfs/dbraw/zinc/96/79/63/561967963.db2.gz ARZAWPCHSKVMLU-UHFFFAOYSA-N 2 2 560.787 6.289 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(CC4CC[NH2+]CC4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889632 561978065 /nfs/dbraw/zinc/97/80/65/561978065.db2.gz SJYNPVUODRUKRP-UHFFFAOYSA-N 2 2 517.073 5.627 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCC2)[nH+]1 ZINC000029039263 561989609 /nfs/dbraw/zinc/98/96/09/561989609.db2.gz BBKBHFNIKBCSSN-UHFFFAOYSA-N 2 2 511.803 6.701 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029039263 561989611 /nfs/dbraw/zinc/98/96/11/561989611.db2.gz BBKBHFNIKBCSSN-UHFFFAOYSA-N 2 2 511.803 6.701 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039263 561989612 /nfs/dbraw/zinc/98/96/12/561989612.db2.gz BBKBHFNIKBCSSN-UHFFFAOYSA-N 2 2 511.803 6.701 1 0 KKAFLP Oc1cccc2c3cc[nH+]c([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 561991368 /nfs/dbraw/zinc/99/13/68/561991368.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 3 2 570.822 7.100 1 0 KKAFLP Oc1cccc2c3cc[nH+]c([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 561991369 /nfs/dbraw/zinc/99/13/69/561991369.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 3 2 570.822 7.100 1 0 KKAFLP Oc1cccc2c3cc[nH+]c([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 561991370 /nfs/dbraw/zinc/99/13/70/561991370.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 3 2 570.822 7.100 1 0 KKAFLP Oc1cccc2c3cc[nH+]c([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 561991371 /nfs/dbraw/zinc/99/13/71/561991371.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 3 2 570.822 7.100 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)[nH+]c2cc(NCc3ccc(Cl)c(Cl)c3)ccc21 ZINC000029206291 562005214 /nfs/dbraw/zinc/00/52/14/562005214.db2.gz OBXBSEIUUKNDCN-UHFFFAOYSA-N 2 2 578.375 8.353 1 0 KKAFLP CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400462 562019596 /nfs/dbraw/zinc/01/95/96/562019596.db2.gz DFFKKGAFYQETOC-UHFFFAOYSA-N 2 2 623.585 6.160 1 0 KKAFLP C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000029411747 562021906 /nfs/dbraw/zinc/02/19/06/562021906.db2.gz PDGYBCXJKZHOPO-SANMLTNESA-N 2 2 538.780 7.051 1 0 KKAFLP Cn1c(Cc2ccc(C(N)=[NH2+])cc2)[nH+]c2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000029471040 562025549 /nfs/dbraw/zinc/02/55/49/562025549.db2.gz DGTKDVQDJOYSOI-UHFFFAOYSA-N 2 2 555.504 5.287 1 0 KKAFLP [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]c[nH+]2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000029489735 562029192 /nfs/dbraw/zinc/02/91/92/562029192.db2.gz OGKLLMOSPWTKLM-IMEMCKAMSA-N 2 2 668.835 6.077 1 0 KKAFLP [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH+]c[nH]2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000029489735 562029193 /nfs/dbraw/zinc/02/91/93/562029193.db2.gz OGKLLMOSPWTKLM-IMEMCKAMSA-N 2 2 668.835 6.077 1 0 KKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CCN(CC[NH+](Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000029562658 562033569 /nfs/dbraw/zinc/03/35/69/562033569.db2.gz NUJYKVDVUYYGQC-UHFFFAOYSA-N 2 2 547.722 6.802 1 0 KKAFLP c1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029563231 562033681 /nfs/dbraw/zinc/03/36/81/562033681.db2.gz DOSDFMYCNVKQJK-UHFFFAOYSA-N 2 2 500.690 7.183 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037610 /nfs/dbraw/zinc/03/76/10/562037610.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 2 2 504.650 5.012 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037613 /nfs/dbraw/zinc/03/76/13/562037613.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 2 2 504.650 5.012 1 0 KKAFLP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C(C)C)CC1 ZINC000036285267 562053953 /nfs/dbraw/zinc/05/39/53/562053953.db2.gz GSXDYZPMLCQEKT-AJQTZOPKSA-N 3 2 608.271 5.035 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccc(F)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157906 562069831 /nfs/dbraw/zinc/06/98/31/562069831.db2.gz REFUSBFXTDLFNM-UHFFFAOYSA-N 2 2 524.055 6.747 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157908 562069871 /nfs/dbraw/zinc/06/98/71/562069871.db2.gz JYXIOKSALYJMSX-UHFFFAOYSA-N 2 2 574.062 7.627 1 0 KKAFLP O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000040828214 562079984 /nfs/dbraw/zinc/07/99/84/562079984.db2.gz WGNAXVWSCNZJNU-QFIPXVFZSA-N 2 2 501.515 5.547 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090200 /nfs/dbraw/zinc/09/02/00/562090200.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 2 2 554.779 6.101 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090201 /nfs/dbraw/zinc/09/02/01/562090201.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 2 2 554.779 6.101 1 0 KKAFLP CCc1[nH]c(Cc2ccccc2)[nH+]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090202 /nfs/dbraw/zinc/09/02/02/562090202.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 2 2 554.779 6.101 1 0 KKAFLP CCc1[nH]c(Cc2ccccc2)[nH+]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090203 /nfs/dbraw/zinc/09/02/03/562090203.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 2 2 554.779 6.101 1 0 KKAFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)ccc6[C@@H](C5)[N@@H+]4C)cc32)cc1 ZINC000095486208 560061609 /nfs/dbraw/zinc/06/16/09/560061609.db2.gz DITYVQQGERRPEX-WIHCDAFUSA-N 2 2 578.709 6.466 1 0 biogenic,in-vitro KKAFLP COc1ccc(C[C@@H]2[NH2+]CCc3ccc(Oc4c5c(cc(OC)c4OC)[C@H]4Cc6cc(O)ccc6[C@@H](C5)[N@H+]4C)cc32)cc1 ZINC000095486208 560061610 /nfs/dbraw/zinc/06/16/10/560061610.db2.gz DITYVQQGERRPEX-WIHCDAFUSA-N 2 2 578.709 6.466 1 0 biogenic,in-vitro KKAFLP C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(NC5CC[NH+](C)CC5)[nH+]c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000043152533 562646375 /nfs/dbraw/zinc/64/63/75/562646375.db2.gz VPGSHWKKZVAVBK-LJQANCHMSA-N 2 2 587.149 6.547 1 0 KKAFLP CCCC[C@H]1C(=O)N(CC2CC[NH+](CC(F)F)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281666 562653187 /nfs/dbraw/zinc/65/31/87/562653187.db2.gz KRUJQWXOSLKLBD-NDEPHWFRSA-N 2 2 616.842 5.186 1 0 KKAFLP Nc1ccc2[nH]cc(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2[nH+]1 ZINC000045189766 562658445 /nfs/dbraw/zinc/65/84/45/562658445.db2.gz BSTXWLWHVCACKB-QHHAFSJGSA-N 2 2 512.485 5.583 1 0 KKAFLP CC(C)[NH+]1CCN([C@@H](C[NH+]2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190154 562658449 /nfs/dbraw/zinc/65/84/49/562658449.db2.gz MEJKIBRHTNWGNT-YTTGMZPUSA-N 2 2 518.721 5.133 1 0 KKAFLP CCCCCCNC(=O)c1nn(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000045195881 562658910 /nfs/dbraw/zinc/65/89/10/562658910.db2.gz JKQGAPGIPVBPJX-UHFFFAOYSA-N 2 2 520.549 5.727 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)Nc3ccc(CC)cc3)cs2)cc1 ZINC000045229789 562659554 /nfs/dbraw/zinc/65/95/54/562659554.db2.gz UMIXIKSQNNUFLO-UHFFFAOYSA-N 2 2 530.742 6.583 1 0 KKAFLP Cc1cccc2[nH+]c(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)[nH]c21 ZINC000045230389 562659604 /nfs/dbraw/zinc/65/96/04/562659604.db2.gz YHFYLXKAGLAXDG-SOFGYWHQSA-N 2 2 511.497 6.310 1 0 KKAFLP Cc1cccc2[nH]c(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)[nH+]c21 ZINC000045230389 562659605 /nfs/dbraw/zinc/65/96/05/562659605.db2.gz YHFYLXKAGLAXDG-SOFGYWHQSA-N 2 2 511.497 6.310 1 0 KKAFLP CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045289822 562660299 /nfs/dbraw/zinc/66/02/99/562660299.db2.gz SDWUHFKDVMJUGL-KMYXTYCYSA-N 2 2 504.681 7.193 1 0 KKAFLP CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045289825 562660308 /nfs/dbraw/zinc/66/03/08/562660308.db2.gz SDWUHFKDVMJUGL-ZQWKZUOPSA-N 2 2 504.681 7.193 1 0 KKAFLP CC(C)[NH+]1CCN([C@H](C[NH+]2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318793 562660925 /nfs/dbraw/zinc/66/09/25/562660925.db2.gz FLEFAPOLARGJQP-UUWRZZSWSA-N 2 2 544.759 5.647 1 0 KKAFLP O=c1cc(NCCC[NH2+][C@@H](C[NH2+]CCc2ccccc2)c2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605107 562665369 /nfs/dbraw/zinc/66/53/69/562665369.db2.gz PCSDQIHDKNLAEG-SANMLTNESA-N 2 2 598.383 6.018 1 0 KKAFLP COc1ccc(Cn2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3[nH+]c2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049605439 562665879 /nfs/dbraw/zinc/66/58/79/562665879.db2.gz MANIAWQRPJQPAL-UHFFFAOYSA-N 2 2 572.031 6.335 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCCCC[NH+]3CCCC3)nc21 ZINC000049605433 562665882 /nfs/dbraw/zinc/66/58/82/562665882.db2.gz ZLVOTHZTCUBWHZ-UHFFFAOYSA-N 2 2 570.595 6.120 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCCCN3CC[NH+](C)CC3)nc21 ZINC000049625812 562666906 /nfs/dbraw/zinc/66/69/06/562666906.db2.gz PWRJTRCMIRREJU-UHFFFAOYSA-N 2 2 603.600 5.021 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745832 562674103 /nfs/dbraw/zinc/67/41/03/562674103.db2.gz WSQWFQGNZPVTQC-UHFFFAOYSA-N 2 2 592.810 5.258 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745832 562674104 /nfs/dbraw/zinc/67/41/04/562674104.db2.gz WSQWFQGNZPVTQC-UHFFFAOYSA-N 2 2 592.810 5.258 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746460 562674431 /nfs/dbraw/zinc/67/44/31/562674431.db2.gz FWWHROPNFJVMDD-UHFFFAOYSA-N 3 2 576.855 6.885 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746460 562674432 /nfs/dbraw/zinc/67/44/32/562674432.db2.gz FWWHROPNFJVMDD-UHFFFAOYSA-N 3 2 576.855 6.885 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049783988 562683332 /nfs/dbraw/zinc/68/33/32/562683332.db2.gz XIWZJWVJYRBFBA-NCRNUEESSA-N 2 2 612.858 8.492 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049783988 562683333 /nfs/dbraw/zinc/68/33/33/562683333.db2.gz XIWZJWVJYRBFBA-NCRNUEESSA-N 2 2 612.858 8.492 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000049823241 562687115 /nfs/dbraw/zinc/68/71/15/562687115.db2.gz DSMOGQVECWIDRP-UHFFFAOYSA-N 2 2 667.295 5.276 1 0 KKAFLP OCC[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049833531 562687852 /nfs/dbraw/zinc/68/78/52/562687852.db2.gz SQYAUXNWQOZSIY-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP OCC[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049833531 562687853 /nfs/dbraw/zinc/68/78/53/562687853.db2.gz SQYAUXNWQOZSIY-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP OCC[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049833531 562687854 /nfs/dbraw/zinc/68/78/54/562687854.db2.gz SQYAUXNWQOZSIY-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000049899406 562693085 /nfs/dbraw/zinc/69/30/85/562693085.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 2 2 698.813 6.466 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000049899406 562693086 /nfs/dbraw/zinc/69/30/86/562693086.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 2 2 698.813 6.466 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000049899406 562693087 /nfs/dbraw/zinc/69/30/87/562693087.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 2 2 698.813 6.466 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000049899406 562693088 /nfs/dbraw/zinc/69/30/88/562693088.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 2 2 698.813 6.466 1 0 KKAFLP CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)cs1 ZINC000049908059 562693483 /nfs/dbraw/zinc/69/34/83/562693483.db2.gz KBKFSBFGLPLCGX-UHFFFAOYSA-N 2 2 531.663 5.423 1 0 KKAFLP O=C(CCC[NH2+]Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059126069 562701713 /nfs/dbraw/zinc/70/17/13/562701713.db2.gz SXZPHXWUKCRLIY-MUUNZHRXSA-N 2 2 530.927 6.450 1 0 KKAFLP Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064510754 562706182 /nfs/dbraw/zinc/70/61/82/562706182.db2.gz FYIHUHLFTBIBLG-LJAQVGFWSA-N 2 2 505.493 6.751 1 0 KKAFLP Cc1ccccc1Nc1nc(NCCC[NH+]2CCOCC2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066074548 562709810 /nfs/dbraw/zinc/70/98/10/562709810.db2.gz JRSHCOWPGZTVIG-UHFFFAOYSA-N 2 2 596.139 6.747 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(C)cc3)nc(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)n2)CC1 ZINC000066076709 562710190 /nfs/dbraw/zinc/71/01/90/562710190.db2.gz XXFHVTFZUJALDI-UHFFFAOYSA-N 2 2 566.113 6.754 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066111644 562711874 /nfs/dbraw/zinc/71/18/74/562711874.db2.gz UOHZJSZZUQBRQX-UHFFFAOYSA-N 2 2 568.129 7.366 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000071280839 562716611 /nfs/dbraw/zinc/71/66/11/562716611.db2.gz CDTNCXQMEVRILN-BWMKXQIXSA-N 2 2 611.812 5.424 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000071280839 562716612 /nfs/dbraw/zinc/71/66/12/562716612.db2.gz CDTNCXQMEVRILN-BWMKXQIXSA-N 2 2 611.812 5.424 1 0 KKAFLP C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cc[nH+]cc2)c2ccc(Br)cc2)CC1 ZINC000071296900 562717659 /nfs/dbraw/zinc/71/76/59/562717659.db2.gz AOUQIZRTIMIHNA-WXTAPIANSA-N 2 2 592.365 6.587 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129822 562726419 /nfs/dbraw/zinc/72/64/19/562726419.db2.gz CWZOYVDAZZFHBO-ULJKERAFSA-N 2 2 664.247 6.217 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129822 562726420 /nfs/dbraw/zinc/72/64/20/562726420.db2.gz CWZOYVDAZZFHBO-ULJKERAFSA-N 2 2 664.247 6.217 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(CO)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129870 562726517 /nfs/dbraw/zinc/72/65/17/562726517.db2.gz MEXNPODCUIKOLP-BWMKXQIXSA-N 2 2 676.283 5.570 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(CO)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129870 562726518 /nfs/dbraw/zinc/72/65/18/562726518.db2.gz MEXNPODCUIKOLP-BWMKXQIXSA-N 2 2 676.283 5.570 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726550 /nfs/dbraw/zinc/72/65/50/562726550.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 2 2 722.302 7.149 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726551 /nfs/dbraw/zinc/72/65/51/562726551.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 2 2 722.302 7.149 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(OC(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129929 562726612 /nfs/dbraw/zinc/72/66/12/562726612.db2.gz DHRNPOMOQBZXFW-BETPUDKTSA-N 2 2 704.337 6.865 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(OC(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129929 562726613 /nfs/dbraw/zinc/72/66/13/562726613.db2.gz DHRNPOMOQBZXFW-BETPUDKTSA-N 2 2 704.337 6.865 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180646 562732541 /nfs/dbraw/zinc/73/25/41/562732541.db2.gz QKKQTHMHWWMDSY-GOSISDBHSA-N 2 2 557.497 6.617 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)cccc1Cl ZINC000072183320 562732884 /nfs/dbraw/zinc/73/28/84/562732884.db2.gz LVGDISGNKYDSAM-WMZHIEFXSA-N 2 2 539.507 6.478 1 0 KKAFLP C[N@@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000073198354 562735704 /nfs/dbraw/zinc/73/57/04/562735704.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 2 2 514.505 5.384 1 0 KKAFLP C[N@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000073198354 562735705 /nfs/dbraw/zinc/73/57/05/562735705.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 2 2 514.505 5.384 1 0 KKAFLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4[nH]c5ccccc5[nH+]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224881 562736787 /nfs/dbraw/zinc/73/67/87/562736787.db2.gz APRPXBJRNYTSIL-UFLJZRJVSA-N 2 2 543.737 5.585 1 0 KKAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140058 562739315 /nfs/dbraw/zinc/73/93/15/562739315.db2.gz IQQUNQCHEMRMKM-GDLZYMKVSA-N 2 2 646.015 5.628 1 0 KKAFLP COc1cc(C[N@@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670683 562748348 /nfs/dbraw/zinc/74/83/48/562748348.db2.gz DQRHHCDOOFBYIO-DEOSSOPVSA-N 2 2 552.706 6.795 1 0 KKAFLP COc1cc(C[N@H+]2CC[C@@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670683 562748349 /nfs/dbraw/zinc/74/83/49/562748349.db2.gz DQRHHCDOOFBYIO-DEOSSOPVSA-N 2 2 552.706 6.795 1 0 KKAFLP CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CC[NH+](CCOC(=O)C[NH3+])CC1 ZINC000095605510 562781606 /nfs/dbraw/zinc/78/16/06/562781606.db2.gz SFBNMCNCNUYODX-IOWSJCHKSA-N 2 2 743.497 5.403 1 0 KKAFLP O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1 ZINC000095610106 562784170 /nfs/dbraw/zinc/78/41/70/562784170.db2.gz KAIRDRAOLOPZSO-YDAXCOIMSA-N 2 2 827.764 7.370 1 0 KKAFLP O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC000095610106 562784171 /nfs/dbraw/zinc/78/41/71/562784171.db2.gz KAIRDRAOLOPZSO-YDAXCOIMSA-N 2 2 827.764 7.370 1 0 KKAFLP COc1c2occ(F)c2c(OC)c2c(=O)cc(C[NH+]3CCC(CCC4CC[NH+](Cc5cc(=O)c6c(OC)c7c(F)coc7c(OC)c6o5)CC4)CC3)oc12 ZINC000095610942 562784691 /nfs/dbraw/zinc/78/46/91/562784691.db2.gz RLRNZZUXNRGLKY-UHFFFAOYSA-N 2 2 748.776 7.609 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000095696497 562788509 /nfs/dbraw/zinc/78/85/09/562788509.db2.gz WADCIPDRJSUHPR-UHFFFAOYSA-N 2 2 620.619 7.588 1 0 KKAFLP Cc1cc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c(Cl)c[nH+]2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096272786 562794296 /nfs/dbraw/zinc/79/42/96/562794296.db2.gz WKRSBMFVSRVNIH-UHFFFAOYSA-N 2 2 571.187 7.309 1 0 KKAFLP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCC[NH+]1[C@H](O)Cc1ccccc1 ZINC000096926977 562802484 /nfs/dbraw/zinc/80/24/84/562802484.db2.gz YZSSHKBZRWBJSW-YVTJHSAPSA-N 2 2 644.816 5.785 1 0 KKAFLP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCC[NH+]1[C@H](O)Cc1ccccc1 ZINC000096926977 562802485 /nfs/dbraw/zinc/80/24/85/562802485.db2.gz YZSSHKBZRWBJSW-YVTJHSAPSA-N 2 2 644.816 5.785 1 0 KKAFLP S=C(NCCCNC(=S)NCCCNc1cc[nH+]c2cc(Cl)ccc12)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096932634 562803442 /nfs/dbraw/zinc/80/34/42/562803442.db2.gz RJOCCTZSSYFOAB-UHFFFAOYSA-N 2 2 629.687 5.712 1 0 KKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(NCC[NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000096940299 562804927 /nfs/dbraw/zinc/80/49/27/562804927.db2.gz DVNHHAJSBMXWLX-UHFFFAOYSA-N 2 2 541.743 7.775 1 0 KKAFLP Cc1sc2[nH+]c3c(c(NCCCCNc4c5c(C)c(C)sc5[nH+]c5c4CCCC5)c2c1C)CCCC3 ZINC000098084169 562805599 /nfs/dbraw/zinc/80/55/99/562805599.db2.gz FCHGCBLWPWESAA-UHFFFAOYSA-N 2 2 518.796 8.201 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(S(C)(=O)=O)C2 ZINC000100076196 562806640 /nfs/dbraw/zinc/80/66/40/562806640.db2.gz YZMLHIHWKPEZOT-PKQPGRETSA-N 2 2 590.794 5.114 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(S(C)(=O)=O)C2 ZINC000100076196 562806641 /nfs/dbraw/zinc/80/66/41/562806641.db2.gz YZMLHIHWKPEZOT-PKQPGRETSA-N 2 2 590.794 5.114 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ccco2)CC1 ZINC000101193460 562809806 /nfs/dbraw/zinc/80/98/06/562809806.db2.gz XPNIFODGUNFQET-WLNZHLEZSA-N 3 2 508.710 6.730 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ccco2)CC1 ZINC000101193460 562809807 /nfs/dbraw/zinc/80/98/07/562809807.db2.gz XPNIFODGUNFQET-WLNZHLEZSA-N 3 2 508.710 6.730 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193593 562809899 /nfs/dbraw/zinc/80/98/99/562809899.db2.gz YOJOIMABKIOJRY-RCFASBGUSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193593 562809900 /nfs/dbraw/zinc/80/99/00/562809900.db2.gz YOJOIMABKIOJRY-RCFASBGUSA-N 2 2 590.812 7.379 1 0 KKAFLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193601 562809915 /nfs/dbraw/zinc/80/99/15/562809915.db2.gz RRFIHKNSVPKCRY-IJGRWTRYSA-N 2 2 594.775 6.990 1 0 KKAFLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193601 562809916 /nfs/dbraw/zinc/80/99/16/562809916.db2.gz RRFIHKNSVPKCRY-IJGRWTRYSA-N 2 2 594.775 6.990 1 0 KKAFLP COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000102142246 562812741 /nfs/dbraw/zinc/81/27/41/562812741.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 2 2 606.719 6.743 1 0 KKAFLP COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000102142246 562812742 /nfs/dbraw/zinc/81/27/42/562812742.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 2 2 606.719 6.743 1 0 KKAFLP COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000102142246 562812743 /nfs/dbraw/zinc/81/27/43/562812743.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 2 2 606.719 6.743 1 0 KKAFLP COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000102142246 562812744 /nfs/dbraw/zinc/81/27/44/562812744.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 2 2 606.719 6.743 1 0 KKAFLP COc1cc(C(=O)N(C(C)C)[C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1c[nH+]c(C)c1 ZINC000103225475 562817736 /nfs/dbraw/zinc/81/77/36/562817736.db2.gz WZPLUDMRNMXVNI-XMMPIXPASA-N 2 2 514.592 5.723 1 0 KKAFLP COc1cc(C(=O)N(C(C)C)[C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1c[nH+]c(C)c1 ZINC000103225475 562817737 /nfs/dbraw/zinc/81/77/37/562817737.db2.gz WZPLUDMRNMXVNI-XMMPIXPASA-N 2 2 514.592 5.723 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225794 562817770 /nfs/dbraw/zinc/81/77/70/562817770.db2.gz GHBCBQSQGDNBNN-REKFDVGBSA-N 2 2 542.749 5.839 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225794 562817771 /nfs/dbraw/zinc/81/77/71/562817771.db2.gz GHBCBQSQGDNBNN-REKFDVGBSA-N 2 2 542.749 5.839 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227167 562817881 /nfs/dbraw/zinc/81/78/81/562817881.db2.gz CVHWQXDNAXTQFI-REKFDVGBSA-N 2 2 548.722 6.802 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227167 562817882 /nfs/dbraw/zinc/81/78/82/562817882.db2.gz CVHWQXDNAXTQFI-REKFDVGBSA-N 2 2 548.722 6.802 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000114034360 562827001 /nfs/dbraw/zinc/82/70/01/562827001.db2.gz MGEPPNAWRUVOBH-HXUWFJFHSA-N 2 2 544.055 6.165 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037139 562827090 /nfs/dbraw/zinc/82/70/90/562827090.db2.gz ZJPPYHGKOYJMCX-IBGZPJMESA-N 2 2 530.028 5.538 1 0 KKAFLP CC(=O)c1c[nH+]c2cc(C)c(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000114038422 562827344 /nfs/dbraw/zinc/82/73/44/562827344.db2.gz BSUFGKZXTSIRRD-UHFFFAOYSA-N 2 2 520.008 5.801 1 0 KKAFLP CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)[NH2+]CC[NH2+]CCNCC[NH3+])cc1 ZINC000137485653 562831469 /nfs/dbraw/zinc/83/14/69/562831469.db2.gz MHWGYSANIMPWPV-UHFFFAOYSA-N 3 2 508.839 5.723 1 0 KKAFLP CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)[NH2+]CCNCC[NH2+]CC[NH3+])cc1 ZINC000137485653 562831468 /nfs/dbraw/zinc/83/14/68/562831468.db2.gz MHWGYSANIMPWPV-UHFFFAOYSA-N 3 2 508.839 5.723 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150537729 562844043 /nfs/dbraw/zinc/84/40/43/562844043.db2.gz DOKUIZCZUOJNKQ-SMUPIAPWSA-N 2 2 660.284 6.514 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150537729 562844044 /nfs/dbraw/zinc/84/40/44/562844044.db2.gz DOKUIZCZUOJNKQ-SMUPIAPWSA-N 2 2 660.284 6.514 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150555622 562844720 /nfs/dbraw/zinc/84/47/20/562844720.db2.gz DOKUIZCZUOJNKQ-CYFDYVNOSA-N 2 2 660.284 6.514 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150555622 562844721 /nfs/dbraw/zinc/84/47/21/562844721.db2.gz DOKUIZCZUOJNKQ-CYFDYVNOSA-N 2 2 660.284 6.514 1 0 KKAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](CCC[NH+]6CCCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281507 562850070 /nfs/dbraw/zinc/85/00/70/562850070.db2.gz OZVIIKYJLNXGSP-UHFFFAOYSA-N 2 2 649.722 5.359 1 0 KKAFLP C/C=C1/C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[NH+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851982 /nfs/dbraw/zinc/85/19/82/562851982.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 2 2 586.780 5.061 1 0 KKAFLP C/C=C1/C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[NH+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851983 /nfs/dbraw/zinc/85/19/83/562851983.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 2 2 586.780 5.061 1 0 KKAFLP C/C=C1/C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[N@@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851984 /nfs/dbraw/zinc/85/19/84/562851984.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 2 2 586.780 5.061 1 0 KKAFLP C/C=C1/C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[N@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851985 /nfs/dbraw/zinc/85/19/85/562851985.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 2 2 586.780 5.061 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCc4ccccc4C3)n2)CC1 ZINC000169323825 562857203 /nfs/dbraw/zinc/85/72/03/562857203.db2.gz SVLWWANZVMJUMJ-UHFFFAOYSA-N 2 2 578.124 5.875 1 0 KKAFLP CCOc1ccc(-c2nc3cc(-c4[nH]c5ccc(N6CCN(c7cc[nH+]cc7)CC6)cc5[nH+]4)ccc3[nH]2)cc1 ZINC000169352845 562863281 /nfs/dbraw/zinc/86/32/81/562863281.db2.gz VQRJMJSKWYMBDP-UHFFFAOYSA-N 2 2 515.621 5.894 1 0 KKAFLP CCc1[nH+]c2ccccc2n1[C@H](COC(=O)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000169353295 562863468 /nfs/dbraw/zinc/86/34/68/562863468.db2.gz PESOONCSQRAINH-WJOKGBTCSA-N 2 2 596.801 6.059 1 0 KKAFLP CC(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697645 562866499 /nfs/dbraw/zinc/86/64/99/562866499.db2.gz AWSSGFVYCHJQAJ-UHFFFAOYSA-N 2 2 586.744 5.374 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)nc1)C1CC1 ZINC000203987843 562874265 /nfs/dbraw/zinc/87/42/65/562874265.db2.gz MFYQVJKGQJCCIX-UHFFFAOYSA-N 2 2 517.004 6.727 1 0 KKAFLP CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc2)cc(N(CC)C2CCOCC2)c1C ZINC000205713511 562875744 /nfs/dbraw/zinc/87/57/44/562875744.db2.gz NWQWVNMSRQPVFF-UHFFFAOYSA-N 2 2 683.942 5.158 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000219352865 562878086 /nfs/dbraw/zinc/87/80/86/562878086.db2.gz TVOHPWPOEPGDRX-UHFFFAOYSA-N 2 2 557.094 6.353 1 0 KKAFLP CC[C@@H]1CCCC[NH+]1CC(=O)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCCC[C@H]4CC)sc3cc2s1 ZINC000253637266 562882385 /nfs/dbraw/zinc/88/23/85/562882385.db2.gz SUJGSESYFOQYFR-QZTJIDSGSA-N 2 2 528.748 5.312 1 0 KKAFLP CC[C@@H]1CCCC[NH+]1CC(=O)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCCC[C@H]4CC)sc3cc2s1 ZINC000253637266 562882386 /nfs/dbraw/zinc/88/23/86/562882386.db2.gz SUJGSESYFOQYFR-QZTJIDSGSA-N 2 2 528.748 5.312 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836393 562887131 /nfs/dbraw/zinc/88/71/31/562887131.db2.gz ZQMJKQGLBIJIRP-UUWRZZSWSA-N 2 2 575.797 7.185 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836393 562887132 /nfs/dbraw/zinc/88/71/32/562887132.db2.gz ZQMJKQGLBIJIRP-UUWRZZSWSA-N 2 2 575.797 7.185 1 0 KKAFLP COCCC[NH+]1CCC([C@H]2CC[C@H](n3nc(-c4ccc5nc(Cc6ccccc6Cl)[nH]c5c4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000299849160 562890452 /nfs/dbraw/zinc/89/04/52/562890452.db2.gz ZRTDGPKHIJCQNA-PGWJBFNOSA-N 2 2 613.210 6.676 1 0 KKAFLP COCCC[NH+]1CCC([C@H]2CC[C@H](n3nc(-c4ccc5[nH]c(Cc6ccccc6Cl)nc5c4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000299849160 562890453 /nfs/dbraw/zinc/89/04/53/562890453.db2.gz ZRTDGPKHIJCQNA-PGWJBFNOSA-N 2 2 613.210 6.676 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129474 562900028 /nfs/dbraw/zinc/90/00/28/562900028.db2.gz HCEKERAQUTWNGZ-QRWXSKHGSA-N 2 2 599.791 7.996 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129474 562900029 /nfs/dbraw/zinc/90/00/29/562900029.db2.gz HCEKERAQUTWNGZ-QRWXSKHGSA-N 2 2 599.791 7.996 1 0 KKAFLP CO[C@H]1C[C@@](CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473129563 562900040 /nfs/dbraw/zinc/90/00/40/562900040.db2.gz HQBVENHUOCSWIS-DEDOGFMKSA-N 2 2 523.693 6.426 1 0 KKAFLP CO[C@H]1C[C@@](CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473129563 562900041 /nfs/dbraw/zinc/90/00/41/562900041.db2.gz HQBVENHUOCSWIS-DEDOGFMKSA-N 2 2 523.693 6.426 1 0 KKAFLP CCCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152110 562901699 /nfs/dbraw/zinc/90/16/99/562901699.db2.gz GPJMBLDQDSVHNX-IRJFHVNHSA-N 2 2 514.497 6.851 1 0 KKAFLP C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473198578 562903732 /nfs/dbraw/zinc/90/37/32/562903732.db2.gz PWNHLINSFSHUOG-ATZDWAIDSA-N 2 2 541.067 5.237 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000473198576 562903779 /nfs/dbraw/zinc/90/37/79/562903779.db2.gz PRXOLTBHQZKAOZ-MHPIHPPYSA-N 2 2 543.495 5.361 1 0 KKAFLP Cn1cc[nH+]c1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236472 562904640 /nfs/dbraw/zinc/90/46/40/562904640.db2.gz KNVZCDCWXGRYIU-QIPLTTJJSA-N 2 2 570.826 6.130 1 0 KKAFLP Cn1cc[nH+]c1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236472 562904641 /nfs/dbraw/zinc/90/46/41/562904641.db2.gz KNVZCDCWXGRYIU-QIPLTTJJSA-N 2 2 570.826 6.130 1 0 KKAFLP Fc1cccc(COc2ccc([NH+]=C3NC=[NH+][C@@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@@H]34)cc2Cl)c1 ZINC000474609923 562905773 /nfs/dbraw/zinc/90/57/73/562905773.db2.gz XISMJZPTIYZMMN-LEAFIULHSA-N 2 2 549.071 6.272 1 0 KKAFLP CC(=O)Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653725392 562909089 /nfs/dbraw/zinc/90/90/89/562909089.db2.gz QEVHCMBXNZLCDJ-UHFFFAOYSA-N 2 2 556.592 6.002 1 0 KKAFLP COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)[NH+](C)CC4)cc1 ZINC000058548607 565115115 /nfs/dbraw/zinc/11/51/15/565115115.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)[NH+](C)CC4)cc1 ZINC000058548607 565115121 /nfs/dbraw/zinc/11/51/21/565115121.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)[N@H+](C)CC4)cc1 ZINC000058548607 565115124 /nfs/dbraw/zinc/11/51/24/565115124.db2.gz TUVJHVFGUYHZJS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@H](c2cc(N)[nH+]cc2CC(=O)N2C[C@@H](C[NH2+]C)[C@@H]2CCC(C)C)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594626 565151906 /nfs/dbraw/zinc/15/19/06/565151906.db2.gz WFUQZSGTMSSTGS-LJFIELOASA-N 2 2 668.835 5.481 1 0 biogenic,in-vitro KKAFLP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc[nH+]c(C)c2)c1 ZINC000001912786 561680314 /nfs/dbraw/zinc/68/03/14/561680314.db2.gz MVSRUZQAFCXJHS-XNPSPRNGSA-N 2 2 576.829 7.770 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CC[N@H+]1C ZINC000003954486 561690852 /nfs/dbraw/zinc/69/08/52/561690852.db2.gz DJAWTLHBPPQMPV-SVBPBHIXSA-N 2 2 562.666 6.909 3 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CC[N@@H+]1C ZINC000003954486 561690854 /nfs/dbraw/zinc/69/08/54/561690854.db2.gz DJAWTLHBPPQMPV-SVBPBHIXSA-N 2 2 562.666 6.909 3 0 KKAFLP CN(C)C(=O)C1([NH+]2CCCCC2)CC[NH+](CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000014166280 561737195 /nfs/dbraw/zinc/73/71/95/561737195.db2.gz RVQZVVJLIUXDPN-JGCGQSQUSA-N 2 2 601.619 5.160 1 0 KKAFLP CC(C)CC[N@@H+](c1ccc(NCc2c[nH+]c[nH]2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794085 /nfs/dbraw/zinc/79/40/85/561794085.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 2 2 579.834 5.866 1 0 KKAFLP CC(C)CC[N@H+](c1ccc(NCc2c[nH+]c[nH]2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794087 /nfs/dbraw/zinc/79/40/87/561794087.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 2 2 579.834 5.866 1 0 KKAFLP CC(C)CC[N@@H+](c1ccc(NCc2c[nH]c[nH+]2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794089 /nfs/dbraw/zinc/79/40/89/561794089.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 2 2 579.834 5.866 1 0 KKAFLP CC(C)CC[N@H+](c1ccc(NCc2c[nH]c[nH+]2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794091 /nfs/dbraw/zinc/79/40/91/561794091.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 2 2 579.834 5.866 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCC[NH+]2CCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672790 561812870 /nfs/dbraw/zinc/81/28/70/561812870.db2.gz YCCLCMWMAFCWMJ-UHFFFAOYSA-N 3 2 578.157 6.366 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942342 561828189 /nfs/dbraw/zinc/82/81/89/561828189.db2.gz UCQRXBZYKFZLPN-LJAQVGFWSA-N 2 2 634.435 6.580 1 0 KKAFLP CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102736 561839259 /nfs/dbraw/zinc/83/92/59/561839259.db2.gz URBMBIPANSKQOM-LJAQVGFWSA-N 2 2 665.279 5.030 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105860 561840205 /nfs/dbraw/zinc/84/02/05/561840205.db2.gz WUFGLRYZWOUQQM-SSEXGKCCSA-N 2 2 679.306 5.419 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108521 561840869 /nfs/dbraw/zinc/84/08/69/561840869.db2.gz HVQORTSVHNWKTB-PMERELPUSA-N 2 2 679.306 5.419 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517879 561861555 /nfs/dbraw/zinc/86/15/55/561861555.db2.gz OVNDNIJQJAWJBW-MFMCTBQISA-N 2 2 595.672 7.339 1 0 KKAFLP C[NH2+]Cc1cc(Br)ccc1OCc1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027526489 561866248 /nfs/dbraw/zinc/86/62/48/561866248.db2.gz JJEHGYRVABHKHF-UHFFFAOYSA-N 3 2 516.549 5.531 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[NH2+]CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027635644 561874388 /nfs/dbraw/zinc/87/43/88/561874388.db2.gz KWYPWVKRUAHLRV-HKBQPEDESA-N 3 2 593.216 5.607 1 0 KKAFLP COC(=O)c1cccc(C[N@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027755428 561883478 /nfs/dbraw/zinc/88/34/78/561883478.db2.gz MCTNDNYNZMMEMH-UHFFFAOYSA-N 2 2 702.740 7.082 1 0 KKAFLP COC(=O)c1cccc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027755428 561883480 /nfs/dbraw/zinc/88/34/80/561883480.db2.gz MCTNDNYNZMMEMH-UHFFFAOYSA-N 2 2 702.740 7.082 1 0 KKAFLP OCCC[NH2+]CCN(Cc1cccc(F)c1)Cc1cccc(C[NH+](Cc2cccc(F)c2)Cc2cccc(F)c2)n1 ZINC000027759701 561883926 /nfs/dbraw/zinc/88/39/26/561883926.db2.gz IOHGKDIRDVLCBI-UHFFFAOYSA-N 2 2 562.680 5.676 1 0 KKAFLP CCCSCCC[NH2+][C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4O)C[C@@H]1[N@@H+](CC1CC1)CC[C@@]532 ZINC000028016663 561897410 /nfs/dbraw/zinc/89/74/10/561897410.db2.gz DQVXWTOGGHLRKE-HOXVFRLBSA-N 2 2 529.750 5.703 1 0 KKAFLP CCCSCCC[NH2+][C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4O)C[C@@H]1[N@H+](CC1CC1)CC[C@@]532 ZINC000028016663 561897412 /nfs/dbraw/zinc/89/74/12/561897412.db2.gz DQVXWTOGGHLRKE-HOXVFRLBSA-N 2 2 529.750 5.703 1 0 KKAFLP C[NH+](C)CCC[N@H+](C)CCC(=O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028388570 561921688 /nfs/dbraw/zinc/92/16/88/561921688.db2.gz ZQTZXIFUPWWHDG-UHFFFAOYSA-N 2 2 556.050 5.508 1 0 KKAFLP C[NH+](C)CCC[N@@H+](C)CCC(=O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028388570 561921689 /nfs/dbraw/zinc/92/16/89/561921689.db2.gz ZQTZXIFUPWWHDG-UHFFFAOYSA-N 2 2 556.050 5.508 1 0 KKAFLP O=C(NC[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471852 561927140 /nfs/dbraw/zinc/92/71/40/561927140.db2.gz YCGKTGCKPZIUKH-QFIPXVFZSA-N 2 2 525.524 5.691 1 0 KKAFLP O=C(NC[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471852 561927141 /nfs/dbraw/zinc/92/71/41/561927141.db2.gz YCGKTGCKPZIUKH-QFIPXVFZSA-N 2 2 525.524 5.691 1 0 KKAFLP Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]c2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570524 561938885 /nfs/dbraw/zinc/93/88/85/561938885.db2.gz LKYBAOASTZHANA-UHFFFAOYSA-N 2 2 564.608 6.536 1 0 KKAFLP C[NH+]1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000028571944 561939647 /nfs/dbraw/zinc/93/96/47/561939647.db2.gz RQXBPIGIJBKCME-WUFINQPMSA-N 2 2 535.132 5.493 1 0 KKAFLP CN1CC[NH+]([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646243 561944960 /nfs/dbraw/zinc/94/49/60/561944960.db2.gz FBNHMHGIMMCLHO-DIPNUNPCSA-N 2 2 546.803 6.436 1 0 KKAFLP C[NH+](C)Cc1ncc(C2=CC[C@@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650303 561945909 /nfs/dbraw/zinc/94/59/09/561945909.db2.gz BIFFIEOCGJSJAA-HXUWFJFHSA-N 2 2 506.091 5.563 1 0 KKAFLP C[N@H+](C1CCN(C(=O)OC[C@H]2CCC[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000028816488 561964262 /nfs/dbraw/zinc/96/42/62/561964262.db2.gz XFFPXCKCDGMNFE-XZWHSSHBSA-N 2 2 617.256 5.122 1 0 KKAFLP C[N@@H+](C1CCN(C(=O)OC[C@H]2CCC[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC000028816488 561964263 /nfs/dbraw/zinc/96/42/63/561964263.db2.gz XFFPXCKCDGMNFE-XZWHSSHBSA-N 2 2 617.256 5.122 1 0 KKAFLP COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1cc[nH+]cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000028822226 561966881 /nfs/dbraw/zinc/96/68/81/561966881.db2.gz KCZAWXOJQPFPIN-KRWDZBQOSA-N 2 2 513.017 5.078 1 0 KKAFLP COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1cc[nH+]cc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000028822226 561966882 /nfs/dbraw/zinc/96/68/82/561966882.db2.gz KCZAWXOJQPFPIN-KRWDZBQOSA-N 2 2 513.017 5.078 1 0 KKAFLP COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1cc[nH+]cc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000028822227 561966885 /nfs/dbraw/zinc/96/68/85/561966885.db2.gz KCZAWXOJQPFPIN-QGZVFWFLSA-N 2 2 513.017 5.078 1 0 KKAFLP COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1cc[nH+]cc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000028822227 561966886 /nfs/dbraw/zinc/96/68/86/561966886.db2.gz KCZAWXOJQPFPIN-QGZVFWFLSA-N 2 2 513.017 5.078 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccccc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823400 561967968 /nfs/dbraw/zinc/96/79/68/561967968.db2.gz SZYHKHHKVALGBM-UHFFFAOYSA-N 2 2 517.762 7.190 1 0 KKAFLP CCC(=O)c1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823403 561967994 /nfs/dbraw/zinc/96/79/94/561967994.db2.gz RQNYTCNHUXLHLD-UHFFFAOYSA-N 2 2 573.826 7.783 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(-c4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823419 561968084 /nfs/dbraw/zinc/96/80/84/561968084.db2.gz CWAUPZCOKTXTTA-UHFFFAOYSA-N 2 2 593.860 8.857 1 0 KKAFLP COc1cc(C[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c2ccccc12 ZINC000028827104 561971534 /nfs/dbraw/zinc/97/15/34/561971534.db2.gz BCHRCFZHJDSRAB-UHFFFAOYSA-N 2 2 524.640 6.471 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C5CC5)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889673 561978009 /nfs/dbraw/zinc/97/80/09/561978009.db2.gz KBPLHOJDAIGXOI-ZTOMLWHTSA-N 2 2 575.128 6.450 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C5CC5)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889673 561978010 /nfs/dbraw/zinc/97/80/10/561978010.db2.gz KBPLHOJDAIGXOI-ZTOMLWHTSA-N 2 2 575.128 6.450 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@H]4CCC[NH2+]C4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889667 561978020 /nfs/dbraw/zinc/97/80/20/561978020.db2.gz WDBDCRKFWGOAAP-NRFANRHFSA-N 2 2 517.073 5.627 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889654 561978039 /nfs/dbraw/zinc/97/80/39/561978039.db2.gz FXNLHVHHXHWVOF-RXFWQSSRSA-N 2 2 535.063 5.575 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889648 561978071 /nfs/dbraw/zinc/97/80/71/561978071.db2.gz MZINAXOPBUWVQD-IDISGSTGSA-N 2 2 549.090 5.918 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889648 561978073 /nfs/dbraw/zinc/97/80/73/561978073.db2.gz MZINAXOPBUWVQD-IDISGSTGSA-N 2 2 549.090 5.918 1 0 KKAFLP O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCc2[nH]c[nH+]c2C1 ZINC000028889707 561978201 /nfs/dbraw/zinc/97/82/01/561978201.db2.gz SSTGGHOOVOEJRC-DFBJGRDBSA-N 2 2 558.057 6.109 1 0 KKAFLP O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000028889707 561978203 /nfs/dbraw/zinc/97/82/03/561978203.db2.gz SSTGGHOOVOEJRC-DFBJGRDBSA-N 2 2 558.057 6.109 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCCC2)[nH+]1 ZINC000029038803 561989355 /nfs/dbraw/zinc/98/93/55/561989355.db2.gz PHAUVNRHGZRMHE-UHFFFAOYSA-N 2 2 539.857 7.481 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038803 561989356 /nfs/dbraw/zinc/98/93/56/561989356.db2.gz PHAUVNRHGZRMHE-UHFFFAOYSA-N 2 2 539.857 7.481 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038803 561989358 /nfs/dbraw/zinc/98/93/58/561989358.db2.gz PHAUVNRHGZRMHE-UHFFFAOYSA-N 2 2 539.857 7.481 1 0 KKAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4ncon4)cc3-c3ccccc3)cc2)CC1 ZINC000029125527 561997678 /nfs/dbraw/zinc/99/76/78/561997678.db2.gz SKBAKRCESRVMPS-UHFFFAOYSA-N 2 2 529.608 5.025 1 0 KKAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nccs4)cc3-c3ccccc3)cc2)CC1 ZINC000029125570 561997791 /nfs/dbraw/zinc/99/77/91/561997791.db2.gz UNXZSCKLZOHNNN-UHFFFAOYSA-N 2 2 544.688 6.098 1 0 KKAFLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[NH2+]CCN(c2cc[nH+]c3cc(Cl)ccc32)CCC[NH2+]CC1 ZINC000029401707 562019840 /nfs/dbraw/zinc/01/98/40/562019840.db2.gz BMCBCIKZJCWYCR-UHFFFAOYSA-N 4 2 523.512 5.376 1 0 KKAFLP COc1ccc(C(=O)N(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)C(=O)c2ccc(OC)cc2)cc1 ZINC000029560836 562033057 /nfs/dbraw/zinc/03/30/57/562033057.db2.gz BPFQOJVEVKXGPR-UHFFFAOYSA-N 2 2 635.740 6.100 1 0 KKAFLP CCCCNC(=O)Oc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562631 562033518 /nfs/dbraw/zinc/03/35/18/562033518.db2.gz UTRDIHDNZUULJM-UHFFFAOYSA-N 2 2 543.687 6.231 1 0 KKAFLP Fc1ccc(C(c2ccc(F)cc2)n2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029568272 562034893 /nfs/dbraw/zinc/03/48/93/562034893.db2.gz XECCKBJGPOXPGM-UHFFFAOYSA-N 2 2 522.643 7.071 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cn4ccccc4[nH+]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037526 /nfs/dbraw/zinc/03/75/26/562037526.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 2 2 504.650 5.012 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cn4ccccc4[nH+]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037529 /nfs/dbraw/zinc/03/75/29/562037529.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 2 2 504.650 5.012 1 0 KKAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCCCc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050551 562044542 /nfs/dbraw/zinc/04/45/42/562044542.db2.gz OCYYYXWLRMUURD-GDZAYFCTSA-N 2 2 521.101 5.102 1 0 KKAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CCCCc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050551 562044543 /nfs/dbraw/zinc/04/45/43/562044543.db2.gz OCYYYXWLRMUURD-GDZAYFCTSA-N 2 2 521.101 5.102 1 0 KKAFLP CC[C@H](C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285640 562054320 /nfs/dbraw/zinc/05/43/20/562054320.db2.gz TUVLNWRHXNOMHI-LGONNFHISA-N 2 2 599.569 6.722 1 0 KKAFLP [NH3+]CC[NH2+][C@@H](COCc1ccccc1)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285815 562054547 /nfs/dbraw/zinc/05/45/47/562054547.db2.gz OMCXUMCRYQFZNQ-NDEPHWFRSA-N 2 2 573.540 5.220 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccccc3F)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157899 562069779 /nfs/dbraw/zinc/06/97/79/562069779.db2.gz LONQQIRBANTCGH-UHFFFAOYSA-N 2 2 524.055 6.747 1 0 KKAFLP COc1cccc(-c2ccc(C3([NH2+]CC(=O)Nc4ccc(F)c(Cl)c4)CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157902 562069853 /nfs/dbraw/zinc/06/98/53/562069853.db2.gz JNPUVFZNZDXFQS-UHFFFAOYSA-N 2 2 536.091 6.617 1 0 KKAFLP COc1cc2c(cc1OCC[NH+]1CCC([NH+]3CCCCC3)CC1)N(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000038407735 562071870 /nfs/dbraw/zinc/07/18/70/562071870.db2.gz SVMFVBLTPFXHIU-MDZDMXLPSA-N 2 2 524.105 5.280 1 0 KKAFLP COC[C@@H]1CCC[N@@H+](C2CCN(c3nc(Nc4ccc(Cl)cc4)c4cc(OC)c(OC)cc4[nH+]3)CC2)C1 ZINC000040424251 562076389 /nfs/dbraw/zinc/07/63/89/562076389.db2.gz IUJUWXIRDRYWGN-LJQANCHMSA-N 2 2 526.081 5.371 1 0 KKAFLP COC[C@@H]1CCC[N@H+](C2CCN(c3nc(Nc4ccc(Cl)cc4)c4cc(OC)c(OC)cc4[nH+]3)CC2)C1 ZINC000040424251 562076391 /nfs/dbraw/zinc/07/63/91/562076391.db2.gz IUJUWXIRDRYWGN-LJQANCHMSA-N 2 2 526.081 5.371 1 0 KKAFLP FC(F)(F)c1ccc2c(N[C@H](c3ccc(C[NH+]4CCOCC4)cc3)c3cccc(Cl)c3)cc[nH+]c2c1 ZINC000040425086 562076568 /nfs/dbraw/zinc/07/65/68/562076568.db2.gz JZJOVKWLPXFEDD-HHHXNRCGSA-N 2 2 511.975 6.941 1 0 KKAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430780 562076861 /nfs/dbraw/zinc/07/68/61/562076861.db2.gz WOMWTCFFKLQKJG-OAQYLSRUSA-N 2 2 512.054 5.124 1 0 KKAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430780 562076862 /nfs/dbraw/zinc/07/68/62/562076862.db2.gz WOMWTCFFKLQKJG-OAQYLSRUSA-N 2 2 512.054 5.124 1 0 KKAFLP COC(=O)[C@@](CCC[N@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040881101 562082588 /nfs/dbraw/zinc/08/25/88/562082588.db2.gz PPUATJSILURJNL-MUUNZHRXSA-N 2 2 528.535 6.354 1 0 KKAFLP COC(=O)[C@@](CCC[N@@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040881101 562082590 /nfs/dbraw/zinc/08/25/90/562082590.db2.gz PPUATJSILURJNL-MUUNZHRXSA-N 2 2 528.535 6.354 1 0 KKAFLP Cc1c(C[NH2+]CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040952566 562086344 /nfs/dbraw/zinc/08/63/44/562086344.db2.gz YLTFPNHAWXRRBI-VVFBEHOQSA-N 3 2 528.144 7.285 1 0 KKAFLP Cc1c(C[NH2+]CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040952566 562086346 /nfs/dbraw/zinc/08/63/46/562086346.db2.gz YLTFPNHAWXRRBI-VVFBEHOQSA-N 3 2 528.144 7.285 1 0 KKAFLP CCCCc1nc(C)c(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)s1 ZINC000040957459 562086783 /nfs/dbraw/zinc/08/67/83/562086783.db2.gz IRRYYNVBCQAKPR-UHFFFAOYSA-N 2 2 501.744 6.957 1 0 KKAFLP O=C(c1ccc2ccccc2c1)N(CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000044032024 562651711 /nfs/dbraw/zinc/65/17/11/562651711.db2.gz VFRCDCIXWSJNJI-UHFFFAOYSA-N 2 2 570.181 6.404 1 0 KKAFLP O=C(c1ccc2ccccc2c1)N(CCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000044032024 562651712 /nfs/dbraw/zinc/65/17/12/562651712.db2.gz VFRCDCIXWSJNJI-UHFFFAOYSA-N 2 2 570.181 6.404 1 0 KKAFLP Fc1ccc(Nc2nc(N3CCCCC3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044360699 562655632 /nfs/dbraw/zinc/65/56/32/562655632.db2.gz JDBATUYWGQZTEO-UHFFFAOYSA-N 2 2 562.097 5.180 1 0 KKAFLP C[NH+](C)CCCn1c[nH+]cc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1 ZINC000045201166 562658999 /nfs/dbraw/zinc/65/89/99/562658999.db2.gz INWBAPZNPFLHAT-UHFFFAOYSA-N 2 2 502.626 5.587 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4s3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067627 562663959 /nfs/dbraw/zinc/66/39/59/562663959.db2.gz VJBLQVGHCPRWTP-MUUNZHRXSA-N 2 2 505.691 6.456 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4s3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067627 562663960 /nfs/dbraw/zinc/66/39/60/562663960.db2.gz VJBLQVGHCPRWTP-MUUNZHRXSA-N 2 2 505.691 6.456 1 0 KKAFLP CC[C@H](NC(=O)c1c2ccc(=O)c(Cl)c-2[nH]c(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000049605236 562665600 /nfs/dbraw/zinc/66/56/00/562665600.db2.gz ORPMJVLRCPGPOR-PMERELPUSA-N 2 2 597.203 7.592 1 0 KKAFLP O=C(NC1CCCCC1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605308 562665695 /nfs/dbraw/zinc/66/56/95/562665695.db2.gz RPSPIKHKAXFKFU-UHFFFAOYSA-N 2 2 542.753 6.231 1 0 KKAFLP O=C(N[C@@H]1C[C@H]1c1ccccc1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605736 562666292 /nfs/dbraw/zinc/66/62/92/562666292.db2.gz UPECNCZLZOVUOM-AJQTZOPKSA-N 2 2 576.770 6.454 1 0 KKAFLP O=C(NCCCN(Cc1ccc(F)cc1)c1cccc[nH+]1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049626126 562667000 /nfs/dbraw/zinc/66/70/00/562667000.db2.gz VUVGCMQHDHNXBM-RWYGWLOXSA-N 2 2 667.829 7.628 1 0 KKAFLP C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000049678541 562668569 /nfs/dbraw/zinc/66/85/69/562668569.db2.gz AWFMMMYPYHZILD-JHOBJCJYSA-N 2 2 569.673 5.587 1 0 KKAFLP O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@H]1CCC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694580 562669506 /nfs/dbraw/zinc/66/95/06/562669506.db2.gz NNHSNTVSIBPBEP-RUZDIDTESA-N 2 2 544.186 5.946 1 0 KKAFLP COc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)[nH+]c3cc(C(=O)NCCC[NH+](C)C)ccc32)cc1Cl ZINC000049710047 562671490 /nfs/dbraw/zinc/67/14/90/562671490.db2.gz WFGIMHZRDXHPLA-UHFFFAOYSA-N 2 2 560.020 6.191 1 0 KKAFLP FC(F)(F)c1cccc2c1[nH+]cc(C1N=NC(=S)N1c1ccccc1)c2N1CCC([NH+]2CCOCC2)CC1 ZINC000049722882 562672631 /nfs/dbraw/zinc/67/26/31/562672631.db2.gz BXKFJUGLVGQHBJ-UHFFFAOYSA-N 2 2 540.615 5.091 1 0 KKAFLP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5c[nH]c[nH+]5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 562678696 /nfs/dbraw/zinc/67/86/96/562678696.db2.gz JPQXHCVMHRKCDV-LJAQVGFWSA-N 2 2 612.844 5.301 1 0 KKAFLP CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3[nH+]c2Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049775007 562678862 /nfs/dbraw/zinc/67/88/62/562678862.db2.gz NITOVUIHLVISSN-UHFFFAOYSA-N 2 2 630.719 7.673 1 0 in-vivo KKAFLP C[N@H+](Cc1c(-c2ccc(NC3=[NH+]CCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780167 562681398 /nfs/dbraw/zinc/68/13/98/562681398.db2.gz VLDSOJXTMRDIAY-UHFFFAOYSA-N 2 2 662.766 6.211 1 0 KKAFLP C[N@@H+](Cc1c(-c2ccc(NC3=[NH+]CCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780167 562681399 /nfs/dbraw/zinc/68/13/99/562681399.db2.gz VLDSOJXTMRDIAY-UHFFFAOYSA-N 2 2 662.766 6.211 1 0 KKAFLP [NH3+]C[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CC1CCCC1 ZINC000049793867 562685268 /nfs/dbraw/zinc/68/52/68/562685268.db2.gz BVNSDTYUINCBIH-ZQWQDMLBSA-N 3 2 581.893 5.202 1 0 KKAFLP [NH3+]C[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CC1CCCC1 ZINC000049793867 562685269 /nfs/dbraw/zinc/68/52/69/562685269.db2.gz BVNSDTYUINCBIH-ZQWQDMLBSA-N 3 2 581.893 5.202 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823288 562687160 /nfs/dbraw/zinc/68/71/60/562687160.db2.gz LEISAHGPHFOWKZ-GDLZYMKVSA-N 2 2 665.279 5.029 1 0 KKAFLP C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000058669745 562701506 /nfs/dbraw/zinc/70/15/06/562701506.db2.gz RTJZMWSCHLSZOW-MVSFAKPFSA-N 2 2 591.196 6.780 1 0 KKAFLP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000058669745 562701507 /nfs/dbraw/zinc/70/15/07/562701507.db2.gz RTJZMWSCHLSZOW-MVSFAKPFSA-N 2 2 591.196 6.780 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000066074274 562709777 /nfs/dbraw/zinc/70/97/77/562709777.db2.gz QOZYCPXEWOKZTB-UHFFFAOYSA-N 2 2 538.059 6.056 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000066074610 562709816 /nfs/dbraw/zinc/70/98/16/562709816.db2.gz IHYSQDSSAOQARF-UHFFFAOYSA-N 2 2 552.086 6.446 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097310 562710743 /nfs/dbraw/zinc/71/07/43/562710743.db2.gz OGNORWCOELPFMG-VWLOTQADSA-N 2 2 502.684 5.134 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000071294927 562717017 /nfs/dbraw/zinc/71/70/17/562717017.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 2 2 600.771 5.957 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000071294927 562717018 /nfs/dbraw/zinc/71/70/18/562717018.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 2 2 600.771 5.957 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(F)cc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129835 562726474 /nfs/dbraw/zinc/72/64/74/562726474.db2.gz LRVBUEHMPJBLID-ULJKERAFSA-N 2 2 682.237 6.356 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(F)cc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129835 562726475 /nfs/dbraw/zinc/72/64/75/562726475.db2.gz LRVBUEHMPJBLID-ULJKERAFSA-N 2 2 682.237 6.356 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129850 562726490 /nfs/dbraw/zinc/72/64/90/562726490.db2.gz ZHGDXFXLUIDXEX-ULJKERAFSA-N 2 2 698.692 6.870 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129850 562726491 /nfs/dbraw/zinc/72/64/91/562726491.db2.gz ZHGDXFXLUIDXEX-ULJKERAFSA-N 2 2 698.692 6.870 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180410 562732494 /nfs/dbraw/zinc/73/24/94/562732494.db2.gz KOOGZNWWYRPBFJ-XHSDSOJGSA-N 2 2 517.432 5.739 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180645 562732583 /nfs/dbraw/zinc/73/25/83/562732583.db2.gz QKKQTHMHWWMDSY-SFHVURJKSA-N 2 2 557.497 6.617 1 0 KKAFLP O=C(c1cc2ccccc2[nH]1)N1CCN(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000073140949 562733667 /nfs/dbraw/zinc/73/36/67/562733667.db2.gz LLBZLFNYOYVBFX-UHFFFAOYSA-N 2 2 579.724 5.039 1 0 KKAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073197596 562735446 /nfs/dbraw/zinc/73/54/46/562735446.db2.gz PNZAQDIRJUUICA-GDLZYMKVSA-N 2 2 629.123 5.027 1 0 KKAFLP COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5[nH]c6ccccc6[nH+]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073223517 562736523 /nfs/dbraw/zinc/73/65/23/562736523.db2.gz ZOPRMPCWLQFXSO-FPNNDXFKSA-N 2 2 569.775 5.903 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073390989 562738619 /nfs/dbraw/zinc/73/86/19/562738619.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073390989 562738620 /nfs/dbraw/zinc/73/86/20/562738620.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@H+](C)CC3 ZINC000073390989 562738621 /nfs/dbraw/zinc/73/86/21/562738621.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@@H+](C)CC3 ZINC000073390989 562738622 /nfs/dbraw/zinc/73/86/22/562738622.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 2 2 576.693 6.831 1 0 KKAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140061 562739288 /nfs/dbraw/zinc/73/92/88/562739288.db2.gz VRIZXAXAKWKFPK-HHHXNRCGSA-N 2 2 647.003 5.023 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]CCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082156849 562740786 /nfs/dbraw/zinc/74/07/86/562740786.db2.gz QAPDQBMZFFLBPI-SSEXGKCCSA-N 2 2 678.032 5.968 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC5 ZINC000084668878 562747726 /nfs/dbraw/zinc/74/77/26/562747726.db2.gz GOYCVNCWKXBQBF-SXOMAYOGSA-N 2 2 562.666 6.948 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC5 ZINC000084668878 562747727 /nfs/dbraw/zinc/74/77/27/562747727.db2.gz GOYCVNCWKXBQBF-SXOMAYOGSA-N 2 2 562.666 6.948 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC5 ZINC000084668878 562747728 /nfs/dbraw/zinc/74/77/28/562747728.db2.gz GOYCVNCWKXBQBF-SXOMAYOGSA-N 2 2 562.666 6.948 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC5 ZINC000084668878 562747729 /nfs/dbraw/zinc/74/77/29/562747729.db2.gz GOYCVNCWKXBQBF-SXOMAYOGSA-N 2 2 562.666 6.948 1 0 KKAFLP COc1cc(C[N@@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670682 562748379 /nfs/dbraw/zinc/74/83/79/562748379.db2.gz DQRHHCDOOFBYIO-XMMPIXPASA-N 2 2 552.706 6.795 1 0 KKAFLP COc1cc(C[N@H+]2CC[C@H](C[NH2+]CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084670682 562748380 /nfs/dbraw/zinc/74/83/80/562748380.db2.gz DQRHHCDOOFBYIO-XMMPIXPASA-N 2 2 552.706 6.795 1 0 KKAFLP Cc1cc(NCc2ccccc2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCc5ccccc5)cc(C)[nH+]4)cc3)cc2)[nH+]1 ZINC000095596500 562777011 /nfs/dbraw/zinc/77/70/11/562777011.db2.gz DMECKTGECTYDEG-UHFFFAOYSA-N 2 2 680.857 9.223 1 0 KKAFLP CC(C)S(=O)(=O)N1CC[NH+](Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318640 562796528 /nfs/dbraw/zinc/79/65/28/562796528.db2.gz VVKGDYNXTFLKQR-UHFFFAOYSA-N 2 2 616.655 5.922 1 0 KKAFLP C(CCNc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3)CNc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3 ZINC000098084170 562805583 /nfs/dbraw/zinc/80/55/83/562805583.db2.gz PJPFICFWZAOAQQ-UHFFFAOYSA-N 2 2 570.872 8.725 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076229 562806621 /nfs/dbraw/zinc/80/66/21/562806621.db2.gz KEMAKHVGQXKNSZ-RLPLKTQASA-N 2 2 554.739 5.701 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076229 562806622 /nfs/dbraw/zinc/80/66/22/562806622.db2.gz KEMAKHVGQXKNSZ-RLPLKTQASA-N 2 2 554.739 5.701 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)C)C2 ZINC000100076414 562806671 /nfs/dbraw/zinc/80/66/71/562806671.db2.gz VNEIBFASYIAQIK-CSSKISATSA-N 2 2 582.793 6.337 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)C)C2 ZINC000100076414 562806672 /nfs/dbraw/zinc/80/66/72/562806672.db2.gz VNEIBFASYIAQIK-CSSKISATSA-N 2 2 582.793 6.337 1 0 KKAFLP [NH2+]=C(NO)c1cccc(N2C(=O)N(c3cccc(C([NH3+])C=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000101370503 562810451 /nfs/dbraw/zinc/81/04/51/562810451.db2.gz RSDCQRDGVPPDHN-VIKGXHKYSA-N 2 2 577.685 5.226 1 0 KKAFLP CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511139 562811147 /nfs/dbraw/zinc/81/11/47/562811147.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 3 2 611.781 6.702 1 0 KKAFLP CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000101511139 562811148 /nfs/dbraw/zinc/81/11/48/562811148.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 3 2 611.781 6.702 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000101641640 562811471 /nfs/dbraw/zinc/81/14/71/562811471.db2.gz SBQOMISLKZTLHT-KUMHGWDASA-N 2 2 512.742 6.509 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000101641640 562811472 /nfs/dbraw/zinc/81/14/72/562811472.db2.gz SBQOMISLKZTLHT-KUMHGWDASA-N 2 2 512.742 6.509 1 0 KKAFLP O=C(CC[NH2+]CC[NH+]1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696196 562811797 /nfs/dbraw/zinc/81/17/97/562811797.db2.gz KHULYPXMXAEHJH-UHFFFAOYSA-N 2 2 610.780 6.069 1 0 KKAFLP O=c1c(=O)c(NCCCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000101702640 562811995 /nfs/dbraw/zinc/81/19/95/562811995.db2.gz FSVYXYNWPRBIEB-UHFFFAOYSA-N 2 2 577.516 6.294 1 0 KKAFLP O=c1c(=O)c(N2CCC(Nc3cc[nH+]c4cc(Cl)ccc34)CC2)c1N1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000103149139 562814508 /nfs/dbraw/zinc/81/45/08/562814508.db2.gz TUABENVIOXSSIT-UHFFFAOYSA-N 2 2 601.538 5.848 1 0 KKAFLP COc1cc(C(=O)N(C(C)C)[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1c[nH+]c(C)c1 ZINC000103225477 562817723 /nfs/dbraw/zinc/81/77/23/562817723.db2.gz WZPLUDMRNMXVNI-DEOSSOPVSA-N 2 2 514.592 5.723 1 0 KKAFLP COc1cc(C(=O)N(C(C)C)[C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1c[nH+]c(C)c1 ZINC000103225477 562817724 /nfs/dbraw/zinc/81/77/24/562817724.db2.gz WZPLUDMRNMXVNI-DEOSSOPVSA-N 2 2 514.592 5.723 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227171 562817885 /nfs/dbraw/zinc/81/78/85/562817885.db2.gz CVHWQXDNAXTQFI-QODLHPCFSA-N 2 2 548.722 6.802 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227171 562817886 /nfs/dbraw/zinc/81/78/86/562817886.db2.gz CVHWQXDNAXTQFI-QODLHPCFSA-N 2 2 548.722 6.802 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103234831 562818685 /nfs/dbraw/zinc/81/86/85/562818685.db2.gz WBMRGUYVKHMYAF-GPOLMCQNSA-N 2 2 581.632 7.816 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103234831 562818686 /nfs/dbraw/zinc/81/86/86/562818686.db2.gz WBMRGUYVKHMYAF-GPOLMCQNSA-N 2 2 581.632 7.816 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234826 562818695 /nfs/dbraw/zinc/81/86/95/562818695.db2.gz DOGFRBKPJABURT-WLNZHLEZSA-N 2 2 601.622 8.084 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234826 562818696 /nfs/dbraw/zinc/81/86/96/562818696.db2.gz DOGFRBKPJABURT-WLNZHLEZSA-N 2 2 601.622 8.084 1 0 KKAFLP CC(C)(C)CC[N@@H+]1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261483 562821395 /nfs/dbraw/zinc/82/13/95/562821395.db2.gz RPZBTBIEZRHXHF-MHZLTWQESA-N 2 2 518.624 5.099 1 0 KKAFLP CC(C)(C)CC[N@H+]1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261483 562821396 /nfs/dbraw/zinc/82/13/96/562821396.db2.gz RPZBTBIEZRHXHF-MHZLTWQESA-N 2 2 518.624 5.099 1 0 KKAFLP C[NH+](C)CCNc1ccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cn1 ZINC000114034125 562826971 /nfs/dbraw/zinc/82/69/71/562826971.db2.gz LHVJVPSGSVDRBP-UHFFFAOYSA-N 2 2 520.008 6.105 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000114034918 562826990 /nfs/dbraw/zinc/82/69/90/562826990.db2.gz GNNKRLDSHAWPBS-UHFFFAOYSA-N 2 2 531.056 5.963 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC000114037517 562827081 /nfs/dbraw/zinc/82/70/81/562827081.db2.gz CVTUKVIQVMHDFD-SFHVURJKSA-N 2 2 518.017 5.538 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000114038546 562827315 /nfs/dbraw/zinc/82/73/15/562827315.db2.gz JSXXVOCOSFUPBA-UHFFFAOYSA-N 2 2 516.016 7.332 1 0 KKAFLP O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000146349860 562838465 /nfs/dbraw/zinc/83/84/65/562838465.db2.gz NWVNPWZUKXKBRN-BHVANESWSA-N 2 2 639.804 6.601 1 0 KKAFLP CN1CC[NH+](C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000169298865 562852703 /nfs/dbraw/zinc/85/27/03/562852703.db2.gz ZLHFKUBQDTULIC-AOQDKHGRSA-N 3 2 500.775 5.284 1 0 KKAFLP CN1CC[NH+](C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000169298865 562852704 /nfs/dbraw/zinc/85/27/04/562852704.db2.gz ZLHFKUBQDTULIC-AOQDKHGRSA-N 3 2 500.775 5.284 1 0 KKAFLP C[NH+]1CCN(C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000169298865 562852705 /nfs/dbraw/zinc/85/27/05/562852705.db2.gz ZLHFKUBQDTULIC-AOQDKHGRSA-N 3 2 500.775 5.284 1 0 KKAFLP C[NH+]1CCN(C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000169298865 562852706 /nfs/dbraw/zinc/85/27/06/562852706.db2.gz ZLHFKUBQDTULIC-AOQDKHGRSA-N 3 2 500.775 5.284 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317820 562856037 /nfs/dbraw/zinc/85/60/37/562856037.db2.gz IWYTUWMBDRWLJL-SHQCIBLASA-N 2 2 502.577 6.019 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3cccc(Cl)c3)n2)CC1 ZINC000169323773 562857206 /nfs/dbraw/zinc/85/72/06/562857206.db2.gz CZJZEMLXNAENNT-UHFFFAOYSA-N 2 2 586.531 7.099 1 0 KKAFLP Cc1ccc(C)c(N2CC[NH+](CCOC(=O)c3ccccc3Nc3cc[nH+]c4cc(Cl)ccc34)CC2)c1 ZINC000169333338 562859267 /nfs/dbraw/zinc/85/92/67/562859267.db2.gz FFRKDEDMCSVDHW-UHFFFAOYSA-N 2 2 515.057 6.228 1 0 KKAFLP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353026 562863326 /nfs/dbraw/zinc/86/33/26/562863326.db2.gz MIMZFWLVKRMQDU-PGUFJCEWSA-N 2 2 644.845 7.163 1 0 KKAFLP O=C(OC[C@@H]([C@@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353285 562863422 /nfs/dbraw/zinc/86/34/22/562863422.db2.gz ZDIFOSOAJVECSC-PJTQZDKOSA-N 2 2 624.789 6.712 1 0 KKAFLP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1C1CC1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353294 562863449 /nfs/dbraw/zinc/86/34/49/562863449.db2.gz YKMHGUCILDTIEK-JGCGQSQUSA-N 2 2 608.812 6.374 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000203989506 562874251 /nfs/dbraw/zinc/87/42/51/562874251.db2.gz LKIXDAQTHJLSEQ-SFHVURJKSA-N 2 2 505.981 5.669 1 0 KKAFLP C[NH+](C)CC1CCN(c2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000203989904 562874349 /nfs/dbraw/zinc/87/43/49/562874349.db2.gz TZVPZVKVXMKDAN-UHFFFAOYSA-N 2 2 510.053 6.551 1 0 KKAFLP CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCC([NH+](C)C)CC3)[nH+]c2)cc(N(CC)C2CCOCC2)c1C ZINC000205714768 562875808 /nfs/dbraw/zinc/87/58/08/562875808.db2.gz BLNOPNCRRSAGEB-UHFFFAOYSA-N 2 2 628.862 5.472 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219859723 562878294 /nfs/dbraw/zinc/87/82/94/562878294.db2.gz RPNAFEOUPITPAI-UHFFFAOYSA-N 2 2 530.028 5.410 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901754 /nfs/dbraw/zinc/90/17/54/562901754.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N 2 2 556.509 6.943 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901755 /nfs/dbraw/zinc/90/17/55/562901755.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N 2 2 556.509 6.943 1 0 KKAFLP O=C(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)C1CC1 ZINC000473152134 562901764 /nfs/dbraw/zinc/90/17/64/562901764.db2.gz RSKJDTLFUJLASQ-HSQYWUDLSA-N 2 2 554.518 5.966 1 0 KKAFLP O=C(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)C1CC1 ZINC000473152134 562901765 /nfs/dbraw/zinc/90/17/65/562901765.db2.gz RSKJDTLFUJLASQ-HSQYWUDLSA-N 2 2 554.518 5.966 1 0 KKAFLP 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 562902569 /nfs/dbraw/zinc/90/25/69/562902569.db2.gz FSMBHEMODIQLKR-CYWCHRQTSA-N 2 2 542.507 5.824 1 0 KKAFLP 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 562902570 /nfs/dbraw/zinc/90/25/70/562902570.db2.gz FSMBHEMODIQLKR-CYWCHRQTSA-N 2 2 542.507 5.824 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CC[NH+](C)C)CC1 ZINC000473165008 562902860 /nfs/dbraw/zinc/90/28/60/562902860.db2.gz PGRTWGQMJVASGN-IRJFHVNHSA-N 2 2 500.470 6.461 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000473179728 562903398 /nfs/dbraw/zinc/90/33/98/562903398.db2.gz KSCUNLBQUFBXFH-STZQEDGTSA-N 2 2 541.523 5.933 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000473179728 562903399 /nfs/dbraw/zinc/90/33/99/562903399.db2.gz KSCUNLBQUFBXFH-STZQEDGTSA-N 2 2 541.523 5.933 1 0 KKAFLP CC[NH+](CC)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473179790 562903467 /nfs/dbraw/zinc/90/34/67/562903467.db2.gz ZRPFSBHZCDWUQX-XGAFWQRZSA-N 2 2 514.497 6.851 1 0 KKAFLP CC(=O)c1c[nH+]c2cc(C)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473183025 562903524 /nfs/dbraw/zinc/90/35/24/562903524.db2.gz KHCOMASJXJWELU-UAPYVXQJSA-N 2 2 500.470 6.379 1 0 KKAFLP COc1cc(-c2cc3c(cc2F)[nH+]cc(C(C)=O)c3N[C@H]2CC[C@H](C[NH+]3CCCC3)CC2)cc(Cl)c1O ZINC000473198588 562903754 /nfs/dbraw/zinc/90/37/54/562903754.db2.gz QEKHQLLMSQMPBH-KESTWPANSA-N 2 2 526.052 6.100 1 0 KKAFLP COc1c2occc2c(OC)c2c(=O)cc(C[NH+]3CCC(CCC4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)oc12 ZINC000003914915 561684526 /nfs/dbraw/zinc/68/45/26/561684526.db2.gz HCFRDIQDIRFUIF-UHFFFAOYSA-N 2 2 712.796 7.331 1 0 KKAFLP CCCC[C@@H]1CCc2cc(C(=O)C(C)C)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740444 561726074 /nfs/dbraw/zinc/72/60/74/561726074.db2.gz HGRLRYSQVKQOPB-HHHXNRCGSA-N 2 2 500.731 6.534 1 0 KKAFLP c1cn(CCCNc2ccnc3oc(-c4ccc(OCC[NH+]5CCCCC5)cc4)c(-c4ccccc4)c32)c[nH+]1 ZINC000014965397 561749649 /nfs/dbraw/zinc/74/96/49/561749649.db2.gz JZVXAFREQFUEDW-UHFFFAOYSA-N 2 2 521.665 6.725 1 0 KKAFLP COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)C3 ZINC000026403367 561789090 /nfs/dbraw/zinc/78/90/90/561789090.db2.gz DICOBUHJULWHPR-RUZDIDTESA-N 2 2 526.681 5.624 1 0 KKAFLP COc1ccc(C[NH2+]Cc2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)cc1 ZINC000026673355 561813118 /nfs/dbraw/zinc/81/31/18/561813118.db2.gz BNVVVBACQMXBRV-UHFFFAOYSA-N 3 2 544.099 6.355 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026673352 561813133 /nfs/dbraw/zinc/81/31/33/561813133.db2.gz HTUOQHKWGZYQEG-UHFFFAOYSA-N 3 2 582.070 7.365 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026719278 561814821 /nfs/dbraw/zinc/81/48/21/561814821.db2.gz BWVHTTUKGXRDOK-UHFFFAOYSA-N 3 2 583.180 6.374 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719278 561814823 /nfs/dbraw/zinc/81/48/23/561814823.db2.gz BWVHTTUKGXRDOK-UHFFFAOYSA-N 2 2 583.180 6.374 1 0 KKAFLP CC1CC[NH+](CCCCCCCCCCCC(=O)Nc2cc(CO)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026725371 561815746 /nfs/dbraw/zinc/81/57/46/561815746.db2.gz NCPRDHJUGHXWFQ-UHFFFAOYSA-N 2 2 579.229 8.696 1 0 KKAFLP C[C@@H]([NH2+]CCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026817016 561820359 /nfs/dbraw/zinc/82/03/59/561820359.db2.gz CWQFUYIPHGCENY-BHSOYGCJSA-N 2 2 517.802 7.049 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000027073580 561833851 /nfs/dbraw/zinc/83/38/51/561833851.db2.gz HAELTQWQFNWTBQ-LKDIDBIPSA-N 2 2 657.881 5.071 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000027073580 561833853 /nfs/dbraw/zinc/83/38/53/561833853.db2.gz HAELTQWQFNWTBQ-LKDIDBIPSA-N 2 2 657.881 5.071 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000027524251 561865511 /nfs/dbraw/zinc/86/55/11/561865511.db2.gz WUKXZOCQXYQOQX-UHFFFAOYSA-N 2 2 578.943 7.223 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000027524251 561865512 /nfs/dbraw/zinc/86/55/12/561865512.db2.gz WUKXZOCQXYQOQX-UHFFFAOYSA-N 2 2 578.943 7.223 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Br)cc2Br)CC1 ZINC000027526660 561866352 /nfs/dbraw/zinc/86/63/52/561866352.db2.gz PBCXCUMHGNKYFZ-UHFFFAOYSA-N 2 2 552.376 6.574 1 0 KKAFLP C[NH+](C)C1CC[NH+](Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027869808 561888106 /nfs/dbraw/zinc/88/81/06/561888106.db2.gz JYQMSEKCPUABBR-UHFFFAOYSA-N 2 2 658.246 7.796 1 0 KKAFLP COc1cc2c(cc1OCC[NH2+]CCO)[nH+]ccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000028002821 561894971 /nfs/dbraw/zinc/89/49/71/561894971.db2.gz SBAQNALMGGEPLL-UHFFFAOYSA-N 2 2 519.617 6.177 1 0 KKAFLP CCc1ccn2c(c1)[nH+]cc2C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930233 /nfs/dbraw/zinc/93/02/33/561930233.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 2 2 532.704 5.574 1 0 KKAFLP CCc1ccn2c(c1)[nH+]cc2C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930234 /nfs/dbraw/zinc/93/02/34/561930234.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 2 2 532.704 5.574 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@@H+](C)[C@H]5C2)CC[NH+]1C ZINC000028538555 561935129 /nfs/dbraw/zinc/93/51/29/561935129.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@H+](C)[C@H]5C2)CC[NH+]1C ZINC000028538555 561935131 /nfs/dbraw/zinc/93/51/31/561935131.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@H]5C2)CC[N@H+]1C ZINC000028538555 561935133 /nfs/dbraw/zinc/93/51/33/561935133.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@H]5C2)CC[N@@H+]1C ZINC000028538555 561935135 /nfs/dbraw/zinc/93/51/35/561935135.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP C[NH+]1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCC[NH+]3CCCCC3)C2=O)CC1 ZINC000028571943 561939652 /nfs/dbraw/zinc/93/96/52/561939652.db2.gz RQXBPIGIJBKCME-VSGBNLITSA-N 2 2 535.132 5.493 1 0 KKAFLP Cc1ccc2[nH+]c(-c3ccc(OCCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1 ZINC000028711425 561951917 /nfs/dbraw/zinc/95/19/17/561951917.db2.gz YYWNRQZCPIMCAK-UHFFFAOYSA-N 2 2 509.481 6.598 1 0 KKAFLP C[NH+]1CCN(Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000028817298 561964631 /nfs/dbraw/zinc/96/46/31/561964631.db2.gz DMOYSEGTQIGQTM-UHFFFAOYSA-N 2 2 524.536 5.814 1 0 KKAFLP CN1CC[NH+](Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000028817298 561964633 /nfs/dbraw/zinc/96/46/33/561964633.db2.gz DMOYSEGTQIGQTM-UHFFFAOYSA-N 2 2 524.536 5.814 1 0 KKAFLP Cc1[nH]c2ccc(CC[NH2+]C[C@@H](C)c3c4c([nH]c3-c3cc(C)cc(C)c3)CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)C4)cc2[nH+]1 ZINC000028823038 561967682 /nfs/dbraw/zinc/96/76/82/561967682.db2.gz JDPYVJZHURCBGX-HSZRJFAPSA-N 2 2 645.745 7.704 1 0 KKAFLP Cc1[nH]c2cc(CC[NH2+]C[C@@H](C)c3c4c([nH]c3-c3cc(C)cc(C)c3)CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)C4)ccc2[nH+]1 ZINC000028823038 561967683 /nfs/dbraw/zinc/96/76/83/561967683.db2.gz JDPYVJZHURCBGX-HSZRJFAPSA-N 2 2 645.745 7.704 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(NCc3ccccc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823426 561968070 /nfs/dbraw/zinc/96/80/70/561968070.db2.gz QGVHTHKTHDECNA-UHFFFAOYSA-N 2 2 531.789 7.059 1 0 KKAFLP CN(C)C(=O)C[NH+]1CCC(Cn2c3ccccc3c3cc(C(=O)N4CC[NH+](C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 ZINC000028889686 561978056 /nfs/dbraw/zinc/97/80/56/561978056.db2.gz UFNQEGHYWQYWSB-UHFFFAOYSA-N 2 2 602.179 5.428 1 0 KKAFLP Cc1cc(-c2cc(OC(=O)c3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135672 562004455 /nfs/dbraw/zinc/00/44/55/562004455.db2.gz SMACWNIQVWKMBX-UHFFFAOYSA-N 2 2 679.221 6.923 1 0 KKAFLP [NH3+]CCCCCC[NH2+][C@H]1C[N@H+](CCc2c[nH]c3ccccc23)[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398828 562019234 /nfs/dbraw/zinc/01/92/34/562019234.db2.gz BDCZNHLXBZSGEO-CLLHQPRTSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+][C@H]1C[N@@H+](CCc2c[nH]c3ccccc23)[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398828 562019236 /nfs/dbraw/zinc/01/92/36/562019236.db2.gz BDCZNHLXBZSGEO-CLLHQPRTSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+][C@H]1C[N@H+](CCc2c[nH]c3ccccc23)[C@@H](CO)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398831 562019242 /nfs/dbraw/zinc/01/92/42/562019242.db2.gz BDCZNHLXBZSGEO-KFIZHRIMSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+][C@H]1C[N@@H+](CCc2c[nH]c3ccccc23)[C@@H](CO)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398831 562019244 /nfs/dbraw/zinc/01/92/44/562019244.db2.gz BDCZNHLXBZSGEO-KFIZHRIMSA-N 3 2 584.805 5.035 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000029467369 562024742 /nfs/dbraw/zinc/02/47/42/562024742.db2.gz ANPDXXWCXYXWBT-UHFFFAOYSA-N 2 2 667.295 5.278 1 0 KKAFLP CNC(=O)Oc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029561156 562033245 /nfs/dbraw/zinc/03/32/45/562033245.db2.gz AEUYUCUVFNNAHV-UHFFFAOYSA-N 2 2 501.606 5.061 1 0 KKAFLP CN(C)C(=O)C(CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029561760 562033461 /nfs/dbraw/zinc/03/34/61/562033461.db2.gz IDVZJRFQKTZGPN-UHFFFAOYSA-N 2 2 571.769 6.426 1 0 KKAFLP O=C(OCc1ccccc1)Oc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029562635 562033537 /nfs/dbraw/zinc/03/35/37/562033537.db2.gz SPTWJKJTLZNWPT-UHFFFAOYSA-N 2 2 578.688 7.058 1 0 KKAFLP O=C(Cc1ccccc1)Oc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566162 562034477 /nfs/dbraw/zinc/03/44/77/562034477.db2.gz QOFIYPMRPCNFLK-UHFFFAOYSA-N 2 2 562.689 6.491 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3c(Cl)cccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157894 562069796 /nfs/dbraw/zinc/06/97/96/562069796.db2.gz FFJIQQUKMRHXIF-UHFFFAOYSA-N 2 2 574.955 7.915 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccc(Cl)cc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157907 562069833 /nfs/dbraw/zinc/06/98/33/562069833.db2.gz XEWTWWFJVGEDOA-UHFFFAOYSA-N 2 2 540.510 7.262 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157903 562069867 /nfs/dbraw/zinc/06/98/67/562069867.db2.gz KQEZVNVONIRPFK-UHFFFAOYSA-N 2 2 590.061 7.507 1 0 KKAFLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069679 562645521 /nfs/dbraw/zinc/64/55/21/562645521.db2.gz PCLLBFUYVTXKME-RUZDIDTESA-N 2 2 522.575 5.272 1 0 KKAFLP Cc1ccccc1Nc1nc(NC2CCCCC2)nc(N2CC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)CC2)n1 ZINC000044305699 562653529 /nfs/dbraw/zinc/65/35/29/562653529.db2.gz ZXILQAXEAPPYPO-UHFFFAOYSA-N 2 2 572.161 6.104 1 0 KKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH+]2)cc1 ZINC000044306119 562653620 /nfs/dbraw/zinc/65/36/20/562653620.db2.gz UBUCIIFBJIRGAF-UHFFFAOYSA-N 2 2 562.640 6.624 1 0 KKAFLP Fc1ccccc1Nc1nc(N2CCCCC2)nc(N2CC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)CC2)n1 ZINC000044308315 562654289 /nfs/dbraw/zinc/65/42/89/562654289.db2.gz HVGYPFNKOGLBRT-UHFFFAOYSA-N 2 2 562.097 5.180 1 0 KKAFLP CC(C)[NH+]1CCC(Oc2ccc(CN3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000045168978 562658219 /nfs/dbraw/zinc/65/82/19/562658219.db2.gz HTHWWQRUXVIKQR-JGCGQSQUSA-N 2 2 518.145 6.499 1 0 KKAFLP O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000045192915 562658707 /nfs/dbraw/zinc/65/87/07/562658707.db2.gz NQQWHBWDWXSNCO-SOFGYWHQSA-N 2 2 511.497 6.076 1 0 KKAFLP C[NH+]1CCN(Cc2nc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)cs2)CC1 ZINC000045228986 562659502 /nfs/dbraw/zinc/65/95/02/562659502.db2.gz VJOGXZHJBMDDKI-UHFFFAOYSA-N 2 2 507.663 6.642 1 0 KKAFLP Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2[nH+]1 ZINC000045231278 562659707 /nfs/dbraw/zinc/65/97/07/562659707.db2.gz UCYULHKIUZOKKA-UHFFFAOYSA-N 2 2 508.471 5.062 1 0 KKAFLP O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@H]1CC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000045298405 562660387 /nfs/dbraw/zinc/66/03/87/562660387.db2.gz YWKPGWQHNFOGPP-DEOSSOPVSA-N 2 2 530.159 5.556 1 0 KKAFLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045301446 562660535 /nfs/dbraw/zinc/66/05/35/562660535.db2.gz XNIPPKKAUSSBEB-VQHVLOKHSA-N 2 2 526.512 5.708 1 0 KKAFLP COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000045324947 562661233 /nfs/dbraw/zinc/66/12/33/562661233.db2.gz RMBMKMLEBXCZNF-DHZHZOJOSA-N 2 2 521.061 5.029 1 0 KKAFLP COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000049605449 562665913 /nfs/dbraw/zinc/66/59/13/562665913.db2.gz WQQCWWFROVXTDG-OIDHKYIRSA-N 2 2 678.661 5.736 1 0 KKAFLP CC[NH+](CC)CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c1)nn2C ZINC000049605795 562666343 /nfs/dbraw/zinc/66/63/43/562666343.db2.gz GZBJBBOJGUMLBY-UHFFFAOYSA-N 2 2 576.574 6.115 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CC[NH+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667581 /nfs/dbraw/zinc/66/75/81/562667581.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CC[NH+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667582 /nfs/dbraw/zinc/66/75/82/562667582.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CC[N@H+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667583 /nfs/dbraw/zinc/66/75/83/562667583.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CC[N@@H+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667584 /nfs/dbraw/zinc/66/75/84/562667584.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 2 2 583.198 5.173 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000049694583 562669515 /nfs/dbraw/zinc/66/95/15/562669515.db2.gz QNSYZPLZZGYLQU-UHFFFAOYSA-N 2 2 561.105 6.260 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745829 562674107 /nfs/dbraw/zinc/67/41/07/562674107.db2.gz CFWKOGVQRHXYDF-UHFFFAOYSA-N 2 2 634.891 6.429 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745829 562674108 /nfs/dbraw/zinc/67/41/08/562674108.db2.gz CFWKOGVQRHXYDF-UHFFFAOYSA-N 2 2 634.891 6.429 1 0 KKAFLP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCN2CC[NH+](C)CC2)ncn1 ZINC000049777799 562680580 /nfs/dbraw/zinc/68/05/80/562680580.db2.gz VKGKEHUDLZDBMP-UHFFFAOYSA-N 2 2 629.691 5.798 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783987 562683339 /nfs/dbraw/zinc/68/33/39/562683339.db2.gz XIWZJWVJYRBFBA-ZRKBJOGQSA-N 2 2 612.858 8.492 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783987 562683340 /nfs/dbraw/zinc/68/33/40/562683340.db2.gz XIWZJWVJYRBFBA-ZRKBJOGQSA-N 2 2 612.858 8.492 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783987 562683341 /nfs/dbraw/zinc/68/33/41/562683341.db2.gz XIWZJWVJYRBFBA-ZRKBJOGQSA-N 2 2 612.858 8.492 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783987 562683342 /nfs/dbraw/zinc/68/33/42/562683342.db2.gz XIWZJWVJYRBFBA-ZRKBJOGQSA-N 2 2 612.858 8.492 1 0 KKAFLP CCc1ccc(NC(=O)N(CCCn2cc[nH+]c2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049917777 562693928 /nfs/dbraw/zinc/69/39/28/562693928.db2.gz WSUSORWFWWYPBK-UHFFFAOYSA-N 2 2 564.759 6.983 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5s4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049918114 562694460 /nfs/dbraw/zinc/69/44/60/562694460.db2.gz RLEGSRXMQFKDBA-WNOXWKSXSA-N 2 2 665.860 5.644 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696968 /nfs/dbraw/zinc/69/69/68/562696968.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 2 2 522.640 5.151 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696969 /nfs/dbraw/zinc/69/69/69/562696969.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 2 2 522.640 5.151 1 0 KKAFLP CC=C1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[NH+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697854 /nfs/dbraw/zinc/69/78/54/562697854.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 2 2 568.765 5.706 1 0 KKAFLP CC=C1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[NH+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697855 /nfs/dbraw/zinc/69/78/55/562697855.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 2 2 568.765 5.706 1 0 KKAFLP CC=C1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[N@@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697856 /nfs/dbraw/zinc/69/78/56/562697856.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 2 2 568.765 5.706 1 0 KKAFLP CC=C1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[N@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697857 /nfs/dbraw/zinc/69/78/57/562697857.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 2 2 568.765 5.706 1 0 KKAFLP CC(C)c1ccc(C[NH2+]CCCC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000059125767 562701731 /nfs/dbraw/zinc/70/17/31/562701731.db2.gz SCFCZEJBFLOUQO-WJOKGBTCSA-N 2 2 504.118 6.267 1 0 KKAFLP Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000064510756 562706196 /nfs/dbraw/zinc/70/61/96/562706196.db2.gz FYIHUHLFTBIBLG-GDLZYMKVSA-N 2 2 505.493 6.751 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294888 562717060 /nfs/dbraw/zinc/71/70/60/562717060.db2.gz KSYVEASKOQESOA-WSTUBMFZSA-N 2 2 512.742 6.271 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180411 562732522 /nfs/dbraw/zinc/73/25/22/562732522.db2.gz KOOGZNWWYRPBFJ-OWCLPIDISA-N 2 2 517.432 5.739 1 0 KKAFLP COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5[nH]c6ccc(F)cc6[nH+]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219771 562736213 /nfs/dbraw/zinc/73/62/13/562736213.db2.gz LPWVPNDDNXQLEM-FPNNDXFKSA-N 2 2 587.765 6.042 1 0 KKAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140358 562739389 /nfs/dbraw/zinc/73/93/89/562739389.db2.gz RCVRSHVGMISHKP-WJOKGBTCSA-N 2 2 674.069 6.061 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140610 562739520 /nfs/dbraw/zinc/73/95/20/562739520.db2.gz GMPQJGPEIGUNAE-WJOKGBTCSA-N 2 2 672.053 6.161 1 0 KKAFLP COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cc1 ZINC000082140795 562739581 /nfs/dbraw/zinc/73/95/81/562739581.db2.gz GGCBCXNVXTWUBW-JGCGQSQUSA-N 2 2 685.212 5.228 1 0 KKAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000082151277 562739895 /nfs/dbraw/zinc/73/98/95/562739895.db2.gz LLSFHWDMCJNSKF-WJOKGBTCSA-N 2 2 609.598 5.263 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]CCF)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082156850 562740805 /nfs/dbraw/zinc/74/08/05/562740805.db2.gz HUCQBWDJSYLEPN-MUUNZHRXSA-N 2 2 679.020 5.363 1 0 KKAFLP COc1ccc(F)cc1-c1cccc(C[NH2+]C2CC[NH+](C[C@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000084373678 562742877 /nfs/dbraw/zinc/74/28/77/562742877.db2.gz RNYSYXPINOUNRW-QHCPKHFHSA-N 2 2 515.604 5.307 1 0 KKAFLP Cc1cc(N2CC[NH+]([C@@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2[nH+]1 ZINC000095567746 562766044 /nfs/dbraw/zinc/76/60/44/562766044.db2.gz NQPUPOVUVGQHQG-JGCGQSQUSA-N 2 2 504.678 6.132 3 0 KKAFLP Cc1cc(NCc2ccc(F)cc2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCc5ccc(F)cc5)cc(C)[nH+]4)cc3)cc2)[nH+]1 ZINC000095594311 562776446 /nfs/dbraw/zinc/77/64/46/562776446.db2.gz RKOOAFHUDDFXKN-UHFFFAOYSA-N 2 2 716.837 9.501 1 0 KKAFLP O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782760 /nfs/dbraw/zinc/78/27/60/562782760.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 2 2 512.698 5.149 1 0 KKAFLP O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782761 /nfs/dbraw/zinc/78/27/61/562782761.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 2 2 512.698 5.149 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@@H+](C)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095615980 562787696 /nfs/dbraw/zinc/78/76/96/562787696.db2.gz LYFVNBVFJKZHQF-LJTBLCAVSA-N 2 2 837.805 7.440 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@H+](C)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095615980 562787697 /nfs/dbraw/zinc/78/76/97/562787697.db2.gz LYFVNBVFJKZHQF-LJTBLCAVSA-N 2 2 837.805 7.440 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3 ZINC000095615980 562787698 /nfs/dbraw/zinc/78/76/98/562787698.db2.gz LYFVNBVFJKZHQF-LJTBLCAVSA-N 2 2 837.805 7.440 1 0 KKAFLP O=C(CN1CC[NH+](CCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271840 562793941 /nfs/dbraw/zinc/79/39/41/562793941.db2.gz GRAHOHOHWNFDDR-UHFFFAOYSA-N 2 2 554.691 5.025 1 0 KKAFLP CN1CC[NH+](CCCNc2cccc(-c3ncc(-c4ccc5ccc(-c6cnc(-c7cccc(NCCC[NH+]8CCN(C)CC8)c7)o6)cc5c4)o3)c2)CC1 ZINC000096935081 562804024 /nfs/dbraw/zinc/80/40/24/562804024.db2.gz IPEBOLOHEBAJQR-UHFFFAOYSA-N 2 2 724.954 7.583 1 0 KKAFLP CN1CC[NH+](CCCNc2cccc(-c3ncc(-c4ccc5ccc(-c6cnc(-c7cccc(NCCCN8CC[NH+](C)CC8)c7)o6)cc5c4)o3)c2)CC1 ZINC000096935081 562804025 /nfs/dbraw/zinc/80/40/25/562804025.db2.gz IPEBOLOHEBAJQR-UHFFFAOYSA-N 2 2 724.954 7.583 1 0 KKAFLP CNC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076181 562806579 /nfs/dbraw/zinc/80/65/79/562806579.db2.gz SVPFWIZUSKHHBB-PKQPGRETSA-N 2 2 569.754 5.494 1 0 KKAFLP CNC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076181 562806580 /nfs/dbraw/zinc/80/65/80/562806580.db2.gz SVPFWIZUSKHHBB-PKQPGRETSA-N 2 2 569.754 5.494 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCC1)C2 ZINC000100076394 562806655 /nfs/dbraw/zinc/80/66/55/562806655.db2.gz WVSHBJDPKPHLGS-GRJQRVBMSA-N 2 2 594.804 6.481 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCC1)C2 ZINC000100076394 562806656 /nfs/dbraw/zinc/80/66/56/562806656.db2.gz WVSHBJDPKPHLGS-GRJQRVBMSA-N 2 2 594.804 6.481 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 ZINC000101193462 562809774 /nfs/dbraw/zinc/80/97/74/562809774.db2.gz DPTAFEGODXQGLH-KUMHGWDASA-N 2 2 513.730 6.055 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 ZINC000101193462 562809775 /nfs/dbraw/zinc/80/97/75/562809775.db2.gz DPTAFEGODXQGLH-KUMHGWDASA-N 2 2 513.730 6.055 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101193469 562809812 /nfs/dbraw/zinc/80/98/12/562809812.db2.gz OKYWCZZUCLHFSJ-YHTXFFTCSA-N 2 2 615.744 8.187 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101193469 562809813 /nfs/dbraw/zinc/80/98/13/562809813.db2.gz OKYWCZZUCLHFSJ-YHTXFFTCSA-N 2 2 615.744 8.187 1 0 KKAFLP C[N@@H+]1CCc2c3ccccc3[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[NH+]4[C@H]12)C3 ZINC000102240718 562812992 /nfs/dbraw/zinc/81/29/92/562812992.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 3 2 566.834 6.380 1 0 KKAFLP C[N@H+]1CCc2c3ccccc3[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[NH+]4[C@H]12)C3 ZINC000102240718 562812993 /nfs/dbraw/zinc/81/29/93/562812993.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 3 2 566.834 6.380 1 0 KKAFLP C[NH+]1CCc2c3ccccc3[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 562812994 /nfs/dbraw/zinc/81/29/94/562812994.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 3 2 566.834 6.380 1 0 KKAFLP C[NH+]1CCc2c3ccccc3[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 562812995 /nfs/dbraw/zinc/81/29/95/562812995.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 3 2 566.834 6.380 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234829 562818674 /nfs/dbraw/zinc/81/86/74/562818674.db2.gz DMPWIWPBMBPTAD-YHTXFFTCSA-N 2 2 567.177 7.430 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234829 562818675 /nfs/dbraw/zinc/81/86/75/562818675.db2.gz DMPWIWPBMBPTAD-YHTXFFTCSA-N 2 2 567.177 7.430 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103235739 562818726 /nfs/dbraw/zinc/81/87/26/562818726.db2.gz QXTAYJOITNMSIV-KUMHGWDASA-N 2 2 563.186 7.525 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103235739 562818727 /nfs/dbraw/zinc/81/87/27/562818727.db2.gz QXTAYJOITNMSIV-KUMHGWDASA-N 2 2 563.186 7.525 1 0 KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000103290537 562824089 /nfs/dbraw/zinc/82/40/89/562824089.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 2 606.719 7.260 1 0 KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000103290537 562824090 /nfs/dbraw/zinc/82/40/90/562824090.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 2 606.719 7.260 1 0 KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000103290537 562824091 /nfs/dbraw/zinc/82/40/91/562824091.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 2 606.719 7.260 1 0 KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4O5)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000103290537 562824092 /nfs/dbraw/zinc/82/40/92/562824092.db2.gz MSARMQMBGNOCHQ-RRPNLBNLSA-N 2 2 606.719 7.260 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(C[NH+]5CCCC5)nc4)c3c2)cc(Cl)c1O ZINC000114036941 562827120 /nfs/dbraw/zinc/82/71/20/562827120.db2.gz JFAFUFUXJDNYDV-UHFFFAOYSA-N 2 2 529.040 6.597 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(CN5CC[NH+](C)CC5)cc4)c3c2)ccc1O ZINC000114036958 562827164 /nfs/dbraw/zinc/82/71/64/562827164.db2.gz CUEGGHUYFDTDMC-UHFFFAOYSA-N 2 2 522.649 5.700 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114039361 562827395 /nfs/dbraw/zinc/82/73/95/562827395.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N 2 2 538.063 6.629 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114039361 562827396 /nfs/dbraw/zinc/82/73/96/562827396.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N 2 2 538.063 6.629 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150544941 562844374 /nfs/dbraw/zinc/84/43/74/562844374.db2.gz BPTVPAIPDXNWOJ-NNLNNXSESA-N 2 2 674.311 6.904 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150544941 562844375 /nfs/dbraw/zinc/84/43/75/562844375.db2.gz BPTVPAIPDXNWOJ-NNLNNXSESA-N 2 2 674.311 6.904 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1)c1ccccc1 ZINC000150601017 562847225 /nfs/dbraw/zinc/84/72/25/562847225.db2.gz RVOMUUAIZFVEKP-CDBYGCFJSA-N 2 2 700.884 5.818 1 0 KKAFLP Cc1ccc(Cl)cc1N1CC[NH+](CCOC(=O)c2ccccc2Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000169334062 562859430 /nfs/dbraw/zinc/85/94/30/562859430.db2.gz LSJYIEDOBPCYSA-UHFFFAOYSA-N 2 2 569.027 6.938 1 0 KKAFLP O=C(OC[C@H]([C@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353288 562863480 /nfs/dbraw/zinc/86/34/80/562863480.db2.gz ZDIFOSOAJVECSC-SVXHESJVSA-N 2 2 624.789 6.712 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000198835396 562872878 /nfs/dbraw/zinc/87/28/78/562872878.db2.gz SCDVTYVEEOZJQT-WRENHGGMSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000198835396 562872879 /nfs/dbraw/zinc/87/28/79/562872879.db2.gz SCDVTYVEEOZJQT-WRENHGGMSA-N 2 2 528.722 5.665 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH+](C)CC5)nc4)c3c2)cc(Cl)c1O ZINC000203989737 562874352 /nfs/dbraw/zinc/87/43/52/562874352.db2.gz QGFYSTKZYDFWHP-UHFFFAOYSA-N 2 2 544.055 5.753 1 0 KKAFLP Cc1cc(=O)oc2cc(OCCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299840515 562888568 /nfs/dbraw/zinc/88/85/68/562888568.db2.gz XSLAHXIYJSPNKR-UHFFFAOYSA-N 2 2 596.772 6.114 1 0 KKAFLP Cc1ccc(OS(=O)(=O)c2cc(F)c(Br)c(F)c2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299862409 562893571 /nfs/dbraw/zinc/89/35/71/562893571.db2.gz JPRYIQWVACCEFG-HXUWFJFHSA-N 2 2 617.516 5.285 1 0 KKAFLP CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000299866775 562894729 /nfs/dbraw/zinc/89/47/29/562894729.db2.gz WUHVASUBTOYMAX-GYZWWNDVSA-N 2 2 500.609 5.221 1 0 KKAFLP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccccc54)cc3N)cc2N)cc1 ZINC000377848918 562896485 /nfs/dbraw/zinc/89/64/85/562896485.db2.gz FYPORBCFTCKSTD-UHFFFAOYSA-O 2 2 546.699 6.142 1 0 KKAFLP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccccc54)cc3N)cc2N)cc1 ZINC000377848918 562896486 /nfs/dbraw/zinc/89/64/86/562896486.db2.gz FYPORBCFTCKSTD-UHFFFAOYSA-O 2 2 546.699 6.142 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129820 562900073 /nfs/dbraw/zinc/90/00/73/562900073.db2.gz ITXUJDTVHQVSLI-BTIIJPOSSA-N 2 2 509.666 5.771 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129820 562900074 /nfs/dbraw/zinc/90/00/74/562900074.db2.gz ITXUJDTVHQVSLI-BTIIJPOSSA-N 2 2 509.666 5.771 1 0 KKAFLP CC(C)C(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152121 562901747 /nfs/dbraw/zinc/90/17/47/562901747.db2.gz LCCCKMPYNLEMBG-IRJFHVNHSA-N 2 2 514.497 6.707 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473159195 562902596 /nfs/dbraw/zinc/90/25/96/562902596.db2.gz PFUCSUKEJUJOLJ-HSQYWUDLSA-N 2 2 538.063 5.452 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473159195 562902597 /nfs/dbraw/zinc/90/25/97/562902597.db2.gz PFUCSUKEJUJOLJ-HSQYWUDLSA-N 2 2 538.063 5.452 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473159200 562902639 /nfs/dbraw/zinc/90/26/39/562902639.db2.gz PFUCSUKEJUJOLJ-ZPMCFJSWSA-N 2 2 538.063 5.452 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473159200 562902640 /nfs/dbraw/zinc/90/26/40/562902640.db2.gz PFUCSUKEJUJOLJ-ZPMCFJSWSA-N 2 2 538.063 5.452 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC1 ZINC000473164969 562902872 /nfs/dbraw/zinc/90/28/72/562902872.db2.gz JBOMZXJIVVAEEQ-UKIBZPOASA-N 2 2 530.471 6.459 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[NH2+]CC2)CC1 ZINC000473179718 562903408 /nfs/dbraw/zinc/90/34/08/562903408.db2.gz IIULTNNXDBEYPW-XGAFWQRZSA-N 2 2 527.496 5.415 1 0 KKAFLP 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 562903520 /nfs/dbraw/zinc/90/35/20/562903520.db2.gz AUULXWXMBHAERU-NYVOZVTQSA-N 2 2 526.052 5.452 1 0 KKAFLP 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 562903521 /nfs/dbraw/zinc/90/35/21/562903521.db2.gz AUULXWXMBHAERU-NYVOZVTQSA-N 2 2 526.052 5.452 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000473183375 562903610 /nfs/dbraw/zinc/90/36/10/562903610.db2.gz VCRREDPIUQOOIB-XMERXJNXSA-N 2 2 555.506 5.472 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000473183375 562903611 /nfs/dbraw/zinc/90/36/11/562903611.db2.gz VCRREDPIUQOOIB-XMERXJNXSA-N 2 2 555.506 5.472 1 0 KKAFLP O=S(=O)(c1ccc(C2=C[C@H]3[NH+]=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@H]3S2)cc1)N1CCOCC1 ZINC000474609777 562905689 /nfs/dbraw/zinc/90/56/89/562905689.db2.gz UXEZNMPSFXNTRD-NAKRPHOHSA-N 2 2 595.146 5.317 1 0 KKAFLP O=S(=O)(c1ccc(C2=C[C@H]3[NH+]=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609775 562905717 /nfs/dbraw/zinc/90/57/17/562905717.db2.gz UXEZNMPSFXNTRD-LEAFIULHSA-N 2 2 595.146 5.317 1 0 KKAFLP Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)CC1 ZINC000653735983 562909682 /nfs/dbraw/zinc/90/96/82/562909682.db2.gz HXNDNZGOTQDVCU-HZCBDIJESA-N 2 2 645.274 5.560 1 0 KKAFLP O=C(NCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917616 /nfs/dbraw/zinc/91/76/16/562917616.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 2 2 505.625 5.380 1 0 KKAFLP O=C(NCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917617 /nfs/dbraw/zinc/91/76/17/562917617.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 2 2 505.625 5.380 1 0 KKAFLP O=C(NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917618 /nfs/dbraw/zinc/91/76/18/562917618.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 2 2 505.625 5.380 1 0 KKAFLP O=C(NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917619 /nfs/dbraw/zinc/91/76/19/562917619.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 2 2 505.625 5.380 1 0 KKAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595183 565152718 /nfs/dbraw/zinc/15/27/18/565152718.db2.gz CGLLRNMHWMYYPT-ULWFEMJKSA-N 2 2 692.769 5.230 1 0 biogenic,in-vitro KKAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595183 565152721 /nfs/dbraw/zinc/15/27/21/565152721.db2.gz CGLLRNMHWMYYPT-ULWFEMJKSA-N 2 2 692.769 5.230 1 0 biogenic,in-vitro KKAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)[nH+]c1 ZINC000085595249 565152978 /nfs/dbraw/zinc/15/29/78/565152978.db2.gz ABBGOPVLOSPHJF-JXVGIBGFSA-N 2 2 656.780 5.862 1 0 biogenic,in-vitro KKAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(Cc3cc[nH+]c(N)c3)c2O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)[nH+]c1 ZINC000085595249 565152980 /nfs/dbraw/zinc/15/29/80/565152980.db2.gz ABBGOPVLOSPHJF-JXVGIBGFSA-N 2 2 656.780 5.862 1 0 biogenic,in-vitro KKAFLP COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@H+](C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O ZINC000095914236 565185534 /nfs/dbraw/zinc/18/55/34/565185534.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 2 2 682.814 6.760 1 0 biogenic,in-vitro KKAFLP COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@@H+](C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O ZINC000095914236 565185542 /nfs/dbraw/zinc/18/55/42/565185542.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 2 2 682.814 6.760 1 0 biogenic,in-vitro KKAFLP COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[NH+](C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1O ZINC000095914236 565185549 /nfs/dbraw/zinc/18/55/49/565185549.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 2 2 682.814 6.760 1 0 biogenic,in-vitro KKAFLP COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[NH+](C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000095914236 565185558 /nfs/dbraw/zinc/18/55/58/565185558.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 2 2 682.814 6.760 1 0 biogenic,in-vitro KKAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H]1Cc2c[nH+]c(NCC)cc2CC2=C1C(=CC2)c1c(N)[nH+]ccc1C3 ZINC000150346525 565202053 /nfs/dbraw/zinc/20/20/53/565202053.db2.gz YZFZGDQJDSPPDO-ZFQTUCJXSA-N 2 2 688.781 5.470 1 0 biogenic,in-vitro KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000001536414 561676853 /nfs/dbraw/zinc/67/68/53/561676853.db2.gz PLWRFLSRPMEPEN-UHFFFAOYSA-N 2 2 508.808 5.272 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000001536414 561676854 /nfs/dbraw/zinc/67/68/54/561676854.db2.gz PLWRFLSRPMEPEN-UHFFFAOYSA-N 2 2 508.808 5.272 1 0 KKAFLP CNC(=O)c1cc(Oc2ccc3[nH+]c(Nc4cc(OCC[NH+]5CCCC5)cc(C(F)(F)F)c4)[nH]c3c2)ccn1 ZINC000014965250 561749423 /nfs/dbraw/zinc/74/94/23/561749423.db2.gz NVUDZLHYERBWHX-UHFFFAOYSA-N 2 2 540.546 5.347 1 0 KKAFLP C[NH+](C)c1ccc(NC[C@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941099 561761039 /nfs/dbraw/zinc/76/10/39/561761039.db2.gz ZQBJCKIJBOEXIA-PMERELPUSA-N 2 2 522.684 5.034 1 0 KKAFLP Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@@H+]4CC[C@@H]([NH3+])C4)cc3F)cc12 ZINC000023358206 561761976 /nfs/dbraw/zinc/76/19/76/561761976.db2.gz YHIZCAWNRNQWMF-GOSISDBHSA-N 2 2 579.558 5.206 1 0 KKAFLP Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@H+]4CC[C@@H]([NH3+])C4)cc3F)cc12 ZINC000023358206 561761977 /nfs/dbraw/zinc/76/19/77/561761977.db2.gz YHIZCAWNRNQWMF-GOSISDBHSA-N 2 2 579.558 5.206 1 0 KKAFLP CN(CC[NH+](C)C)Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026724287 561815650 /nfs/dbraw/zinc/81/56/50/561815650.db2.gz HUUSVDCCWNOULF-UHFFFAOYSA-N 3 2 509.098 5.050 1 0 KKAFLP CC(C)c1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000026736172 561817484 /nfs/dbraw/zinc/81/74/84/561817484.db2.gz XQVCGASSCXKYEN-UHFFFAOYSA-N 2 2 501.077 5.437 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000026848216 561826929 /nfs/dbraw/zinc/82/69/29/561826929.db2.gz IORNNFZUEYOWBO-PMERELPUSA-N 2 2 646.676 5.933 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1C/C=C(\C)CCC=C(C)C ZINC000026998188 561833778 /nfs/dbraw/zinc/83/37/78/561833778.db2.gz QDLKZCSBLHDQJF-OHAFWCNASA-N 2 2 703.994 6.716 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1C/C=C(\C)CCC=C(C)C ZINC000026998188 561833780 /nfs/dbraw/zinc/83/37/80/561833780.db2.gz QDLKZCSBLHDQJF-OHAFWCNASA-N 2 2 703.994 6.716 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027108517 561840885 /nfs/dbraw/zinc/84/08/85/561840885.db2.gz HVQORTSVHNWKTB-SSEXGKCCSA-N 2 2 679.306 5.419 1 0 KKAFLP CN(C[C@@H](Cc1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517647 561861408 /nfs/dbraw/zinc/86/14/08/561861408.db2.gz QZMOFNPUSZXVHM-HHHXNRCGSA-N 2 2 569.634 6.287 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccccc2I)CC1 ZINC000027527317 561866751 /nfs/dbraw/zinc/86/67/51/561866751.db2.gz OBHRVAZKNJHFNC-UHFFFAOYSA-N 2 2 520.480 5.653 1 0 KKAFLP COc1cc2c(cc1OCCCCCOc1ccc(-c3[nH]c4ccc(N5CC[NH+](C)CC5)cc4[nH+]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028386488 561921250 /nfs/dbraw/zinc/92/12/50/561921250.db2.gz XDNDFQOESJDNTO-MHZLTWQESA-N 2 2 622.770 5.939 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929240 /nfs/dbraw/zinc/92/92/40/561929240.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 2 2 572.647 6.031 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929241 /nfs/dbraw/zinc/92/92/41/561929241.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 2 2 572.647 6.031 1 0 KKAFLP O=C(CCCC1CCCCC1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714038 561954451 /nfs/dbraw/zinc/95/44/51/561954451.db2.gz LTHJCBUGWYKFRA-UHFFFAOYSA-N 2 2 514.158 5.565 1 0 KKAFLP O=C(CCCC1CCCCC1)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714038 561954452 /nfs/dbraw/zinc/95/44/52/561954452.db2.gz LTHJCBUGWYKFRA-UHFFFAOYSA-N 2 2 514.158 5.565 1 0 KKAFLP [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]c[nH+]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028769054 561960592 /nfs/dbraw/zinc/96/05/92/561960592.db2.gz OGKLLMOSPWTKLM-MHIGEHEBSA-N 2 2 668.835 6.077 1 0 KKAFLP [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH+]c[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028769054 561960594 /nfs/dbraw/zinc/96/05/94/561960594.db2.gz OGKLLMOSPWTKLM-MHIGEHEBSA-N 2 2 668.835 6.077 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(Br)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823418 561968090 /nfs/dbraw/zinc/96/80/90/561968090.db2.gz XFORQXBHYSVKGZ-UHFFFAOYSA-N 2 2 596.658 7.953 1 0 KKAFLP Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4[nH+]c5ccc(C(F)(F)F)cn5c4CC3)n2C)n1 ZINC000029127255 561999685 /nfs/dbraw/zinc/99/96/85/561999685.db2.gz KCLMHEWINSXASY-UHFFFAOYSA-N 2 2 551.642 5.588 1 0 KKAFLP Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4[nH+]c5ccc(C(F)(F)F)cn5c4CC3)n2C)n1 ZINC000029127255 561999686 /nfs/dbraw/zinc/99/96/86/561999686.db2.gz KCLMHEWINSXASY-UHFFFAOYSA-N 2 2 551.642 5.588 1 0 KKAFLP Clc1ccc2c(NCC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)Cc3ccnc4ccccc34)cc[nH+]c2c1 ZINC000029402297 562019923 /nfs/dbraw/zinc/01/99/23/562019923.db2.gz CEEYGGCIQNKBLA-UHFFFAOYSA-N 3 2 567.524 7.664 1 0 KKAFLP C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403263 562020105 /nfs/dbraw/zinc/02/01/05/562020105.db2.gz XPWFTGGQSOHDQV-NRFANRHFSA-N 2 2 623.585 6.158 1 0 KKAFLP O=C(CCCC[NH+]1CCCCC1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403547 562020188 /nfs/dbraw/zinc/02/01/88/562020188.db2.gz NQWIYFYXGPVRGH-UHFFFAOYSA-N 3 2 619.641 6.901 1 0 KKAFLP c1ccc(OCCCCOc2ccccc2Nc2cc[nH+]c3ccccc23)c(Nc2cc[nH+]c3ccccc23)c1 ZINC000031438797 562036222 /nfs/dbraw/zinc/03/62/22/562036222.db2.gz FCSAPGBYXSQIGQ-UHFFFAOYSA-N 2 2 526.640 8.508 1 0 KKAFLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033865154 562037718 /nfs/dbraw/zinc/03/77/18/562037718.db2.gz LXABGYAXHNLPEO-NRFANRHFSA-N 2 2 501.030 5.999 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000034038686 562038073 /nfs/dbraw/zinc/03/80/73/562038073.db2.gz RCZXTMTXMHGQDY-HUUCEWRRSA-N 2 2 501.077 5.399 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1 ZINC000035881451 562045611 /nfs/dbraw/zinc/04/56/11/562045611.db2.gz LPWQZFWAYVPRSO-UHFFFAOYSA-N 2 2 516.089 6.378 1 0 KKAFLP CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C[NH3+])cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331663 562056840 /nfs/dbraw/zinc/05/68/40/562056840.db2.gz VNNMDAONTZQHMG-UHFFFAOYSA-N 2 2 628.745 6.424 1 0 KKAFLP CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C[NH3+])cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331663 562056842 /nfs/dbraw/zinc/05/68/42/562056842.db2.gz VNNMDAONTZQHMG-UHFFFAOYSA-N 2 2 628.745 6.424 1 0 KKAFLP O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2c1 ZINC000038149733 562066147 /nfs/dbraw/zinc/06/61/47/562066147.db2.gz XVPLTHLIILJYMD-UHFFFAOYSA-N 2 2 556.135 6.376 1 0 KKAFLP COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000085491794 560075234 /nfs/dbraw/zinc/07/52/34/560075234.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N 2 2 580.681 6.362 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000085491794 560075235 /nfs/dbraw/zinc/07/52/35/560075235.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N 2 2 580.681 6.362 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2 ZINC000085491794 560075236 /nfs/dbraw/zinc/07/52/36/560075236.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N 2 2 580.681 6.362 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CC[NH+]1C)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000085491794 560075237 /nfs/dbraw/zinc/07/52/37/560075237.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N 2 2 580.681 6.362 1 0 biogenic,in-vitro KKAFLP O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1c[nH+]c[nH]1)c1ccccc1 ZINC000043079428 562645819 /nfs/dbraw/zinc/64/58/19/562645819.db2.gz ZMTJXLBSJWMAHF-NDEPHWFRSA-N 2 2 521.587 5.727 1 0 KKAFLP O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000043079428 562645820 /nfs/dbraw/zinc/64/58/20/562645820.db2.gz ZMTJXLBSJWMAHF-NDEPHWFRSA-N 2 2 521.587 5.727 1 0 KKAFLP C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044031837 562651690 /nfs/dbraw/zinc/65/16/90/562651690.db2.gz RTJZMWSCHLSZOW-QCENPCRXSA-N 2 2 591.196 6.780 1 0 KKAFLP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044031837 562651691 /nfs/dbraw/zinc/65/16/91/562651691.db2.gz RTJZMWSCHLSZOW-QCENPCRXSA-N 2 2 591.196 6.780 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000044281214 562653048 /nfs/dbraw/zinc/65/30/48/562653048.db2.gz ZMFKWCVOCDSEST-UIOOFZCWSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000044281214 562653049 /nfs/dbraw/zinc/65/30/49/562653049.db2.gz ZMFKWCVOCDSEST-UIOOFZCWSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2c(cc(O)c(c2O4)O3)CC[N@H+]1C ZINC000044281214 562653050 /nfs/dbraw/zinc/65/30/50/562653050.db2.gz ZMFKWCVOCDSEST-UIOOFZCWSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2c(cc(O)c(c2O4)O3)CC[N@@H+]1C ZINC000044281214 562653051 /nfs/dbraw/zinc/65/30/51/562653051.db2.gz ZMFKWCVOCDSEST-UIOOFZCWSA-N 2 2 548.639 6.645 1 0 KKAFLP COc1cc2c3c(c1O)Oc1cc4c(cc1O)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH2+]CC3 ZINC000044305474 562653452 /nfs/dbraw/zinc/65/34/52/562653452.db2.gz BRQSKXOKBNZMFR-SVBPBHIXSA-N 2 2 566.654 5.911 1 0 KKAFLP COc1cc2c3c(c1O)Oc1cc4c(cc1O)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH2+]CC3 ZINC000044305474 562653453 /nfs/dbraw/zinc/65/34/53/562653453.db2.gz BRQSKXOKBNZMFR-SVBPBHIXSA-N 2 2 566.654 5.911 1 0 KKAFLP Clc1ccc2c(NCC[NH+]3CCN(c4nc(Nc5ccccc5)nc(N5CCCCC5)n4)CC3)cc[nH+]c2c1 ZINC000044308327 562654264 /nfs/dbraw/zinc/65/42/64/562654264.db2.gz SRBUVJFUKRBPCW-UHFFFAOYSA-N 2 2 544.107 5.041 1 0 KKAFLP CC[NH+](CC)CCCNC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000044417820 562657177 /nfs/dbraw/zinc/65/71/77/562657177.db2.gz LOJAPTYUHKVYTA-UHFFFAOYSA-N 3 2 581.161 6.014 1 0 KKAFLP Clc1cccc(-c2nc3ccccc3c(Nc3cc[nH+]c(-c4ccc(C[NH+]5CCOCC5)cc4)c3)n2)c1 ZINC000045202391 562659187 /nfs/dbraw/zinc/65/91/87/562659187.db2.gz ZSFPWXJNKNXHJU-UHFFFAOYSA-N 2 2 508.025 6.588 1 0 KKAFLP CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)c2)CC1 ZINC000045231050 562659629 /nfs/dbraw/zinc/65/96/29/562659629.db2.gz XMWDOJYFQUTPJT-UHFFFAOYSA-N 2 2 500.646 7.185 1 0 KKAFLP C[NH+]1CCN(Cc2cccc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)c2)CC1 ZINC000045231050 562659630 /nfs/dbraw/zinc/65/96/30/562659630.db2.gz XMWDOJYFQUTPJT-UHFFFAOYSA-N 2 2 500.646 7.185 1 0 KKAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCCC4)CC3)nc(Nc3cccc(Br)c3)c2cc1OC ZINC000045498038 562662795 /nfs/dbraw/zinc/66/27/95/562662795.db2.gz HJQMVMHBYLQUMC-UHFFFAOYSA-N 2 2 512.452 5.218 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCC[NH+]3C)c(Cl)c2)C1 ZINC000049605257 562665584 /nfs/dbraw/zinc/66/55/84/562665584.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 2 2 597.225 5.563 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCC[NH+]3C)c(Cl)c2)C1 ZINC000049605257 562665585 /nfs/dbraw/zinc/66/55/85/562665585.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 2 2 597.225 5.563 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCC[N@@H+]3C)c(Cl)c2)C1 ZINC000049605257 562665586 /nfs/dbraw/zinc/66/55/86/562665586.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 2 2 597.225 5.563 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCC[N@H+]3C)c(Cl)c2)C1 ZINC000049605257 562665587 /nfs/dbraw/zinc/66/55/87/562665587.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 2 2 597.225 5.563 1 0 KKAFLP COc1cc(-n2c(C[NH+]3CCCC3)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000049626336 562667155 /nfs/dbraw/zinc/66/71/55/562667155.db2.gz AGMBCYFPCLXZEI-UHFFFAOYSA-N 2 2 565.139 5.847 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)N[C@@H]3C[C@@H]3c3ccccc3)cs2)cc1 ZINC000049626512 562667211 /nfs/dbraw/zinc/66/72/11/562667211.db2.gz WBHJKHQFAXZOKA-FQLXRVMXSA-N 2 2 542.753 6.054 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000049678275 562668470 /nfs/dbraw/zinc/66/84/70/562668470.db2.gz MNDIKUFVYLXDTF-UHFFFAOYSA-N 2 2 543.115 6.120 1 0 KKAFLP CCOP(=O)(OCC)[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([C@@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708915 562671106 /nfs/dbraw/zinc/67/11/06/562671106.db2.gz GCQPKRXHOAIDEP-ZPGRZCPFSA-N 2 2 694.750 8.843 1 0 KKAFLP Cc1cc(OC[C@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cc(OC[C@H]5CCCO5)c4c3)ccc2[nH+]1 ZINC000049722987 562672785 /nfs/dbraw/zinc/67/27/85/562672785.db2.gz MZWJZNPINJXXFH-DNQXCXABSA-N 2 2 570.646 5.093 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCC[C@@H]3CCC[N@@H+]3C)nc21 ZINC000049723233 562673098 /nfs/dbraw/zinc/67/30/98/562673098.db2.gz UOYQTZDZPSCJOI-KRWDZBQOSA-N 2 2 574.558 5.868 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCC[C@@H]3CCC[N@H+]3C)nc21 ZINC000049723233 562673099 /nfs/dbraw/zinc/67/30/99/562673099.db2.gz UOYQTZDZPSCJOI-KRWDZBQOSA-N 2 2 574.558 5.868 1 0 KKAFLP O=C([C@H]1COc2ccccc2O1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049745395 562673849 /nfs/dbraw/zinc/67/38/49/562673849.db2.gz LALWPXBJMSLKPS-WJOKGBTCSA-N 2 2 579.726 5.555 1 0 KKAFLP Cc1ccc(NC(=O)c2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049780500 562681832 /nfs/dbraw/zinc/68/18/32/562681832.db2.gz YQPHBBQBBMIYLO-UHFFFAOYSA-N 2 2 601.637 5.473 1 0 KKAFLP C[NH+]1CC[C@]2(c3cccc4c3N[C@@H]3[NH+](C)CC[C@]45[C@H]4Cc6c([C@]78CC[N@@H+](C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[NH+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691678 /nfs/dbraw/zinc/69/16/78/562691678.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 4 2 689.952 5.956 1 0 KKAFLP C[NH+]1CC[C@]2(c3cccc4c3N[C@@H]3[NH+](C)CC[C@]45[C@H]4Cc6c([C@]78CC[N@H+](C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[NH+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691679 /nfs/dbraw/zinc/69/16/79/562691679.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 4 2 689.952 5.956 1 0 KKAFLP C[NH+]1CC[C@]2(c3cccc4c3N[C@@H]3[NH+](C)CC[C@]45[C@H]4Cc6c([C@]78CC[NH+](C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[N@H+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691680 /nfs/dbraw/zinc/69/16/80/562691680.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 4 2 689.952 5.956 1 0 KKAFLP C[NH+]1CC[C@]2(c3cccc4c3N[C@@H]3[NH+](C)CC[C@]45[C@H]4Cc6c([C@]78CC[NH+](C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[N@@H+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691681 /nfs/dbraw/zinc/69/16/81/562691681.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 4 2 689.952 5.956 1 0 KKAFLP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049918049 562694410 /nfs/dbraw/zinc/69/44/10/562694410.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 3 2 553.710 6.554 1 0 KKAFLP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049918049 562694411 /nfs/dbraw/zinc/69/44/11/562694411.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 3 2 553.710 6.554 1 0 KKAFLP OCC[NH+]1CCN(c2cc(-n3cc[nH+]c3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053295637 562697311 /nfs/dbraw/zinc/69/73/11/562697311.db2.gz PQDYIDKPHBDXOW-UHFFFAOYSA-N 2 2 608.547 5.181 1 0 KKAFLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297058 562697417 /nfs/dbraw/zinc/69/74/17/562697417.db2.gz FAIUHYZCSXCGFU-HSZRJFAPSA-N 2 2 580.615 5.571 1 0 KKAFLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297058 562697418 /nfs/dbraw/zinc/69/74/18/562697418.db2.gz FAIUHYZCSXCGFU-HSZRJFAPSA-N 2 2 580.615 5.571 1 0 KKAFLP CC[NH+](CC)CCNC(=O)c1cccc(-n2cc[nH+]c2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053298479 562697502 /nfs/dbraw/zinc/69/75/02/562697502.db2.gz ROOYPSZUFDXWEH-UHFFFAOYSA-N 2 2 568.604 5.428 1 0 KKAFLP COCCCc1cc(CN(C(=O)[C@@H](C[NH3+])Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000058583977 562700187 /nfs/dbraw/zinc/70/01/87/562700187.db2.gz QKHOLXLFLLYGOZ-JGCGQSQUSA-N 2 2 728.758 6.358 1 0 KKAFLP Clc1ccc2c(NCCC[NH+]3CCN(C(c4ccccc4)(c4ccccc4)c4ccccc4)CC3)cc[nH+]c2c1 ZINC000064264533 562704680 /nfs/dbraw/zinc/70/46/80/562704680.db2.gz XSCNYDWTZVPKTE-UHFFFAOYSA-N 2 2 547.146 7.300 1 0 KKAFLP CC(C)Oc1cc(NC(=[NH2+])c2ccc(N3CCCC3)cn2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccc(N4CCCC4)cn3)cc2OC(C)C)o1 ZINC000072111459 562721976 /nfs/dbraw/zinc/72/19/76/562721976.db2.gz IQOVVUHMUAHKIV-UHFFFAOYSA-N 2 2 712.899 9.053 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000072129808 562726439 /nfs/dbraw/zinc/72/64/39/562726439.db2.gz QIFOUWVZHMYOII-ZVBBVAIHSA-N 2 2 682.237 6.356 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000072129808 562726440 /nfs/dbraw/zinc/72/64/40/562726440.db2.gz QIFOUWVZHMYOII-ZVBBVAIHSA-N 2 2 682.237 6.356 1 0 KKAFLP Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H]([N@@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)nc[nH+]3)[nH]c2cc1Cl ZINC000082150329 562739793 /nfs/dbraw/zinc/73/97/93/562739793.db2.gz YBSRGQCJZVKVHS-XJFCNFDWSA-N 2 2 625.608 7.090 1 0 KKAFLP Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H]([N@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)nc[nH+]3)[nH]c2cc1Cl ZINC000082150329 562739794 /nfs/dbraw/zinc/73/97/94/562739794.db2.gz YBSRGQCJZVKVHS-XJFCNFDWSA-N 2 2 625.608 7.090 1 0 KKAFLP CC(C)c1c(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082156653 562740757 /nfs/dbraw/zinc/74/07/57/562740757.db2.gz ZFYXFKAYIBXASB-NELYLQANSA-N 2 2 590.252 7.604 1 0 KKAFLP CCCNc1nc(NCc2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2[nH+]1 ZINC000084616868 562744674 /nfs/dbraw/zinc/74/46/74/562744674.db2.gz KKNPBNXOWZRHFB-UHFFFAOYSA-N 2 2 540.687 5.906 1 0 KKAFLP O=C(C[N@@H+]1CCc2cc(-c3cccc(-c4[nH]cc[nH+]4)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 562757615 /nfs/dbraw/zinc/75/76/15/562757615.db2.gz BZEWCHJVLHXDJE-PGUFJCEWSA-N 3 2 628.648 8.243 1 0 KKAFLP O=C(C[N@H+]1CCc2cc(-c3cccc(-c4[nH]cc[nH+]4)c3)ccc2[C@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 562757616 /nfs/dbraw/zinc/75/76/16/562757616.db2.gz BZEWCHJVLHXDJE-PGUFJCEWSA-N 3 2 628.648 8.243 1 0 KKAFLP Cc1cc(N2CC[NH+]([C@H](c3nnnn3-c3c(C)cccc3C)c3ccnc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000095568540 562766761 /nfs/dbraw/zinc/76/67/61/562766761.db2.gz LFSZFZUZMKSNCB-YTTGMZPUSA-N 2 2 540.675 5.596 3 0 KKAFLP C[N@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCC[NH+]3CCOCC3)cc2)cc1)Cc1ccccc1 ZINC000095572570 562769476 /nfs/dbraw/zinc/76/94/76/562769476.db2.gz KNDNTYBIRAVLQO-UHFFFAOYSA-N 2 2 660.855 8.503 1 0 KKAFLP C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCC[NH+]3CCOCC3)cc2)cc1)Cc1ccccc1 ZINC000095572570 562769477 /nfs/dbraw/zinc/76/94/77/562769477.db2.gz KNDNTYBIRAVLQO-UHFFFAOYSA-N 2 2 660.855 8.503 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000095696616 562788571 /nfs/dbraw/zinc/78/85/71/562788571.db2.gz UBGZPFWTPNLWKB-UHFFFAOYSA-N 2 2 570.999 6.509 1 0 KKAFLP CC[NH+](CC)CCN(C)Cc1c[nH+]c(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269793 562793048 /nfs/dbraw/zinc/79/30/48/562793048.db2.gz WNTOXLYCXHCPAW-UHFFFAOYSA-N 2 2 732.892 7.916 1 0 KKAFLP COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000096901084 562797001 /nfs/dbraw/zinc/79/70/01/562797001.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 2 2 638.761 6.448 1 0 KKAFLP COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000096901084 562797002 /nfs/dbraw/zinc/79/70/02/562797002.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 2 2 638.761 6.448 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CC[N@H+]2C)cc1 ZINC000096901084 562797003 /nfs/dbraw/zinc/79/70/03/562797003.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 2 2 638.761 6.448 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CC[N@@H+]2C)cc1 ZINC000096901084 562797004 /nfs/dbraw/zinc/79/70/04/562797004.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 2 2 638.761 6.448 1 0 KKAFLP COc1cccc(C[NH+]2CCN(C[C@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907753 562799182 /nfs/dbraw/zinc/79/91/82/562799182.db2.gz JIZBSLOZXTWCDC-NXNCUQCYSA-N 2 2 838.891 8.357 1 0 KKAFLP COc1cccc(C[NH+]2CCN(C[C@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907754 562799230 /nfs/dbraw/zinc/79/92/30/562799230.db2.gz JIZBSLOZXTWCDC-RLNZFLKDSA-N 2 2 838.891 8.357 1 0 KKAFLP CC1CC[NH+](CCOc2ccc(NCc3c[nH+]cn3Cc3ccc(-c4ccccn4)cc3N)cc2-c2ccccc2)CC1 ZINC000096940189 562804843 /nfs/dbraw/zinc/80/48/43/562804843.db2.gz MZUXDLSARWRXGO-UHFFFAOYSA-N 2 2 572.757 6.965 1 0 KKAFLP COC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076194 562806613 /nfs/dbraw/zinc/80/66/13/562806613.db2.gz ZNLUHMXGJFCLOK-PKQPGRETSA-N 2 2 570.738 5.921 1 0 KKAFLP COC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076194 562806614 /nfs/dbraw/zinc/80/66/14/562806614.db2.gz ZNLUHMXGJFCLOK-PKQPGRETSA-N 2 2 570.738 5.921 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 ZINC000101193467 562809790 /nfs/dbraw/zinc/80/97/90/562809790.db2.gz VJGAZDSJPMZIDL-YHTXFFTCSA-N 2 2 553.795 6.979 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 ZINC000101193467 562809791 /nfs/dbraw/zinc/80/97/91/562809791.db2.gz VJGAZDSJPMZIDL-YHTXFFTCSA-N 2 2 553.795 6.979 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809869 /nfs/dbraw/zinc/80/98/69/562809869.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 2 2 598.738 7.041 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809870 /nfs/dbraw/zinc/80/98/70/562809870.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 2 2 598.738 7.041 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193586 562809920 /nfs/dbraw/zinc/80/99/20/562809920.db2.gz QOMFGNPECFGGMF-UVKXFEEUSA-N 2 2 606.767 6.491 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193586 562809921 /nfs/dbraw/zinc/80/99/21/562809921.db2.gz QOMFGNPECFGGMF-UVKXFEEUSA-N 2 2 606.767 6.491 1 0 KKAFLP 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)[NH+]7[C@H]35)C6)[nH]ccc2-1 ZINC000101296940 562810252 /nfs/dbraw/zinc/81/02/52/562810252.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 2 2 546.759 7.171 1 0 KKAFLP 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)[NH+]7[C@H]35)C6)[nH]ccc2-1 ZINC000101296940 562810253 /nfs/dbraw/zinc/81/02/53/562810253.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 2 2 546.759 7.171 1 0 KKAFLP c1ccc2c(c1)nc1c(C3=C[C@]45CC/C=C\CCCC[NH+]6CC[C@@H]3[C@]3(C[C@@H]7C=CCCC[C@@H](O4)[N@@H+]7[C@H]35)C6)[nH]ccc2-1 ZINC000101296940 562810254 /nfs/dbraw/zinc/81/02/54/562810254.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 2 2 546.759 7.171 1 0 KKAFLP c1ccc2c(c1)nc1c(C3=C[C@]45CC/C=C\CCCC[NH+]6CC[C@@H]3[C@]3(C[C@@H]7C=CCCC[C@@H](O4)[N@H+]7[C@H]35)C6)[nH]ccc2-1 ZINC000101296940 562810255 /nfs/dbraw/zinc/81/02/55/562810255.db2.gz URHUZIUZTFPQSX-VRQQCGRUSA-N 2 2 546.759 7.171 1 0 KKAFLP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624944 562811435 /nfs/dbraw/zinc/81/14/35/562811435.db2.gz KVGVPXHSSHDBTN-RXGYLRSASA-N 2 2 597.754 6.441 1 0 KKAFLP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624944 562811436 /nfs/dbraw/zinc/81/14/36/562811436.db2.gz KVGVPXHSSHDBTN-RXGYLRSASA-N 2 2 597.754 6.441 1 0 KKAFLP CCN(C(=O)c1ccc(-n2c[nH+]c(C)c2)c(OC)c1)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225470 562817729 /nfs/dbraw/zinc/81/77/29/562817729.db2.gz OWOZPIGYQRDQRB-QHCPKHFHSA-N 2 2 500.565 5.335 1 0 KKAFLP CCN(C(=O)c1ccc(-n2c[nH+]c(C)c2)c(OC)c1)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225470 562817730 /nfs/dbraw/zinc/81/77/30/562817730.db2.gz OWOZPIGYQRDQRB-QHCPKHFHSA-N 2 2 500.565 5.335 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235741 562818722 /nfs/dbraw/zinc/81/87/22/562818722.db2.gz ICSKIEUWVASLGU-FLWJLJKUSA-N 2 2 583.604 7.788 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235741 562818723 /nfs/dbraw/zinc/81/87/23/562818723.db2.gz ICSKIEUWVASLGU-FLWJLJKUSA-N 2 2 583.604 7.788 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cncc(CC[NH+]2CCCC2)c1 ZINC000114034142 562826964 /nfs/dbraw/zinc/82/69/64/562826964.db2.gz KNHCAYUAOOHYLU-UHFFFAOYSA-N 2 2 504.993 6.379 1 0 KKAFLP [NH3+][C@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114033803 562826987 /nfs/dbraw/zinc/82/69/87/562826987.db2.gz GSHUXKBVBPAPPF-KRWDZBQOSA-N 2 2 518.980 5.064 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037584 562827095 /nfs/dbraw/zinc/82/70/95/562827095.db2.gz CHEFFCXFEZUVQX-GOSISDBHSA-N 2 2 503.990 5.148 1 0 KKAFLP CO[C@@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000114037377 562827114 /nfs/dbraw/zinc/82/71/14/562827114.db2.gz UCTVEWRBYCEHHU-LZBANZJXSA-N 2 2 554.518 6.951 1 0 KKAFLP CO[C@@H]1CC[N@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000114037377 562827115 /nfs/dbraw/zinc/82/71/15/562827115.db2.gz UCTVEWRBYCEHHU-LZBANZJXSA-N 2 2 554.518 6.951 1 0 KKAFLP C[NH+](C)CCc1cccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)c1 ZINC000114038198 562827263 /nfs/dbraw/zinc/82/72/63/562827263.db2.gz YKIWOPZLJKEOKV-UHFFFAOYSA-N 2 2 504.005 6.840 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCN(CC[NH+]2CCCC2)CC1)C1CC1 ZINC000114038955 562827356 /nfs/dbraw/zinc/82/73/56/562827356.db2.gz RZLIDOFAGKVVMP-UHFFFAOYSA-N 2 2 523.052 5.210 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([N@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789034 562830564 /nfs/dbraw/zinc/83/05/64/562830564.db2.gz JHUAOSPKENTLLI-FAWRFRPBSA-N 2 2 618.262 8.070 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789034 562830565 /nfs/dbraw/zinc/83/05/65/562830565.db2.gz JHUAOSPKENTLLI-FAWRFRPBSA-N 2 2 618.262 8.070 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([NH+](C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791870 562830635 /nfs/dbraw/zinc/83/06/35/562830635.db2.gz GYPIVOQVWAXHTL-KOOBERTFSA-N 2 2 590.208 7.292 1 0 KKAFLP O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4nnc(CC[NH+]5CCCCC5)s4)ccn32)c1 ZINC000147434074 562839304 /nfs/dbraw/zinc/83/93/04/562839304.db2.gz FVBYZAPHBUXFOH-UHFFFAOYSA-N 2 2 529.592 5.232 1 0 KKAFLP O[C@@H](COc1c(Br)cc(C2(c3cc(Br)c(OC[C@H](O)C[NH+]4CCOCC4)c(Br)c3)CCCC2)cc1Br)C[NH+]1CCOCC1 ZINC000150571443 562845087 /nfs/dbraw/zinc/84/50/87/562845087.db2.gz VXOHPPOEKZPICY-DNQXCXABSA-N 2 2 856.285 5.741 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000169323758 562857122 /nfs/dbraw/zinc/85/71/22/562857122.db2.gz OOMMEXIQQKTAPW-UHFFFAOYSA-N 2 2 570.076 6.585 1 0 KKAFLP O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCc5[nH+]cccc5C4)C3)cc2s1)C1CCCC1 ZINC000169327461 562858108 /nfs/dbraw/zinc/85/81/08/562858108.db2.gz UGHYNFYBSSXCOO-PMOQBDJRSA-N 2 2 531.726 5.712 1 0 KKAFLP O=C(OC[C@@H]([C@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353031 562863378 /nfs/dbraw/zinc/86/33/78/562863378.db2.gz OVBWQROKKIVGSL-OCZFFWILSA-N 2 2 638.816 7.102 1 0 KKAFLP Nc1[nH+]cccc1-c1nc2ccc(-c3cccc(NC(=O)C4CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697632 562866529 /nfs/dbraw/zinc/86/65/29/562866529.db2.gz LFVHUYXYEQYBQS-UHFFFAOYSA-N 2 2 515.621 5.418 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cnn(C5CC[NH2+]CC5)c4)c3c2)cc(Cl)c1O ZINC000203796691 562874111 /nfs/dbraw/zinc/87/41/11/562874111.db2.gz VDRVFDWZDSNFIX-UHFFFAOYSA-N 2 2 518.017 5.727 1 0 KKAFLP C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)CC1 ZINC000203988916 562874277 /nfs/dbraw/zinc/87/42/77/562874277.db2.gz UXRGWKIILXKLLI-UHFFFAOYSA-N 2 2 515.564 5.369 1 0 KKAFLP Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH+]c(C)n4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428283 562874500 /nfs/dbraw/zinc/87/45/00/562874500.db2.gz DSQJCJALPOUQLS-HSZRJFAPSA-N 2 2 514.678 5.308 1 0 KKAFLP Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH+]c(C)n4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428283 562874501 /nfs/dbraw/zinc/87/45/01/562874501.db2.gz DSQJCJALPOUQLS-HSZRJFAPSA-N 2 2 514.678 5.308 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000219359689 562878146 /nfs/dbraw/zinc/87/81/46/562878146.db2.gz KBMPAIAXPCAIHA-HXUWFJFHSA-N 2 2 534.035 6.272 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299826155 562883780 /nfs/dbraw/zinc/88/37/80/562883780.db2.gz FNCJWKNHUAURLL-UHFFFAOYSA-N 2 2 649.990 8.399 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299826155 562883781 /nfs/dbraw/zinc/88/37/81/562883781.db2.gz FNCJWKNHUAURLL-UHFFFAOYSA-N 2 2 649.990 8.399 1 0 KKAFLP CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2C[NH2+]1)C[N@@H+]1CC[C@@](C)(c2cccc(Br)c2)[C@@H](C)C1 ZINC000299826767 562883981 /nfs/dbraw/zinc/88/39/81/562883981.db2.gz DZFUHLKZDAXDNL-ZDGQEMPXSA-N 2 2 527.547 5.700 1 0 KKAFLP CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2C[NH2+]1)C[N@H+]1CC[C@@](C)(c2cccc(Br)c2)[C@@H](C)C1 ZINC000299826767 562883982 /nfs/dbraw/zinc/88/39/82/562883982.db2.gz DZFUHLKZDAXDNL-ZDGQEMPXSA-N 2 2 527.547 5.700 1 0 KKAFLP Nc1nc(-c2ccc(CC[NH+]3CCN(CCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834990 562886640 /nfs/dbraw/zinc/88/66/40/562886640.db2.gz UMHZOLUFZKPYFU-UHFFFAOYSA-N 2 2 580.846 5.350 1 0 KKAFLP Nc1nc(-c2ccc(CCN3CC[NH+](CCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834990 562886641 /nfs/dbraw/zinc/88/66/41/562886641.db2.gz UMHZOLUFZKPYFU-UHFFFAOYSA-N 2 2 580.846 5.350 1 0 KKAFLP Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871133 562895663 /nfs/dbraw/zinc/89/56/63/562895663.db2.gz XVJDERCZWIMHBM-JOCHJYFZSA-N 2 2 665.532 5.906 1 0 KKAFLP Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299871943 562895774 /nfs/dbraw/zinc/89/57/74/562895774.db2.gz ZNPQXKOONXEYBU-RUZDIDTESA-N 2 2 520.599 6.075 1 0 KKAFLP CCCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848909 562896452 /nfs/dbraw/zinc/89/64/52/562896452.db2.gz BHEDBEVTRMAILO-UHFFFAOYSA-N 2 2 543.715 7.760 1 0 KKAFLP CCCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848909 562896453 /nfs/dbraw/zinc/89/64/53/562896453.db2.gz BHEDBEVTRMAILO-UHFFFAOYSA-N 2 2 543.715 7.760 1 0 KKAFLP C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)cc[nH+]c4c3)cc2)CC1 ZINC000473094014 562897839 /nfs/dbraw/zinc/89/78/39/562897839.db2.gz UWWZXZWAMAMKHE-UHFFFAOYSA-N 2 2 617.146 6.953 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129475 562900018 /nfs/dbraw/zinc/90/00/18/562900018.db2.gz HCEKERAQUTWNGZ-XIWYQXSXSA-N 2 2 599.791 7.996 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129475 562900019 /nfs/dbraw/zinc/90/00/19/562900019.db2.gz HCEKERAQUTWNGZ-XIWYQXSXSA-N 2 2 599.791 7.996 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902558 /nfs/dbraw/zinc/90/25/58/562902558.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 2 2 577.169 5.891 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902559 /nfs/dbraw/zinc/90/25/59/562902559.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 2 2 577.169 5.891 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@H]([NH+](C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902560 /nfs/dbraw/zinc/90/25/60/562902560.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 2 2 577.169 5.891 1 0 KKAFLP CC(=O)c1c[nH+]c2cc(F)c(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473198599 562903740 /nfs/dbraw/zinc/90/37/40/562903740.db2.gz RBQPNZDVWADWDU-UAPYVXQJSA-N 2 2 514.016 6.230 1 0 KKAFLP C[NH+](C)[C@H]1CC[C@H](CNc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473201100 562903821 /nfs/dbraw/zinc/90/38/21/562903821.db2.gz WCUMPWPVSHRFOL-UKIBZPOASA-N 2 2 512.481 6.461 1 0 KKAFLP NC(=O)c1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653757103 562910986 /nfs/dbraw/zinc/91/09/86/562910986.db2.gz OMHUCXFOELCCKH-UHFFFAOYSA-N 2 2 542.565 5.143 1 0 KKAFLP Cc1ccc(-c2nnc(-c3ccc(C[NH+]4CCN(CC[NH3+])CC4)c(C(F)(F)F)c3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653805890 562913639 /nfs/dbraw/zinc/91/36/39/562913639.db2.gz ZCECJELGEOTJQW-UHFFFAOYSA-N 2 2 615.664 5.403 1 0 KKAFLP C[NH+](C)C1(C(=O)Nc2cccc(-c3cccs3)c2)CCN(c2[nH+]cnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653842888 562914997 /nfs/dbraw/zinc/91/49/97/562914997.db2.gz YZEBEKHXMANRDT-UHFFFAOYSA-N 2 2 500.672 5.105 1 0 KKAFLP Cc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc(Nc2ccc(Br)cc2)[nH+]1 ZINC000653895809 562917378 /nfs/dbraw/zinc/91/73/78/562917378.db2.gz YCQZEBKTDINTQC-UHFFFAOYSA-N 2 2 509.839 5.819 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000095913466 565182830 /nfs/dbraw/zinc/18/28/30/565182830.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 2 2 606.719 6.454 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000095913466 565182832 /nfs/dbraw/zinc/18/28/32/565182832.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 2 2 606.719 6.454 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000095913466 565182833 /nfs/dbraw/zinc/18/28/33/565182833.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 2 2 606.719 6.454 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000095913466 565182835 /nfs/dbraw/zinc/18/28/35/565182835.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 2 2 606.719 6.454 1 0 biogenic,in-vitro KKAFLP CCOc1ccc(Cc2[nH+]c3c(cc(Br)c(N)c3Br)n2CC[NH+](CC)CC)cc1 ZINC000001657840 561678825 /nfs/dbraw/zinc/67/88/25/561678825.db2.gz PYANKEVKPLBIOV-UHFFFAOYSA-N 2 2 524.301 5.475 1 0 KKAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCCOc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000004963480 561695560 /nfs/dbraw/zinc/69/55/60/561695560.db2.gz RAJHPEZTXURJCC-UHFFFAOYSA-N 2 2 606.532 5.185 1 0 KKAFLP O=C(C1CCCCC1)N1C[C@H](C[NH+]2CCC(N(CC3CC3)c3cccc[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000013487342 561715152 /nfs/dbraw/zinc/71/51/52/561715152.db2.gz DBYLVFWCKXCJGF-MFMCTBQISA-N 2 2 500.731 5.585 1 0 KKAFLP Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@@H+]4CC[C@H]([NH3+])C4)cc3F)cc12 ZINC000023358210 561761998 /nfs/dbraw/zinc/76/19/98/561761998.db2.gz YHIZCAWNRNQWMF-SFHVURJKSA-N 2 2 579.558 5.206 1 0 KKAFLP Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@H+]4CC[C@H]([NH3+])C4)cc3F)cc12 ZINC000023358210 561761999 /nfs/dbraw/zinc/76/19/99/561761999.db2.gz YHIZCAWNRNQWMF-SFHVURJKSA-N 2 2 579.558 5.206 1 0 KKAFLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3c[nH+]c4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790130 /nfs/dbraw/zinc/79/01/30/561790130.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 2 2 665.798 7.101 1 0 KKAFLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3c[nH+]c4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790131 /nfs/dbraw/zinc/79/01/31/561790131.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 2 2 665.798 7.101 1 0 KKAFLP Clc1ccc2c(NCCCN3CC[NH+](CCCNc4cc[nH+]c5cc(Cl)ccc45)CC3)cc[nH+]c2c1 ZINC000026576950 561800842 /nfs/dbraw/zinc/80/08/42/561800842.db2.gz ZVQYTOWWMPYMFP-UHFFFAOYSA-N 3 2 523.512 6.012 1 0 KKAFLP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(Br)c(Br)s1 ZINC000026578377 561803250 /nfs/dbraw/zinc/80/32/50/561803250.db2.gz OIUFCVLTTOUMIZ-UHFFFAOYSA-N 2 2 665.905 5.263 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026717594 561814491 /nfs/dbraw/zinc/81/44/91/561814491.db2.gz JAKIBYOBSIHNSU-UHFFFAOYSA-N 3 2 514.073 6.346 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843714 561826140 /nfs/dbraw/zinc/82/61/40/561826140.db2.gz QRZABLVSQLMLCO-GDLZYMKVSA-N 2 2 723.337 6.798 1 0 KKAFLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845891 561826491 /nfs/dbraw/zinc/82/64/91/561826491.db2.gz ANCRAJKTKYCZOD-HKBQPEDESA-N 2 2 625.597 5.291 1 0 KKAFLP CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000027102731 561839269 /nfs/dbraw/zinc/83/92/69/561839269.db2.gz URBMBIPANSKQOM-GDLZYMKVSA-N 2 2 665.279 5.030 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027440594 561860676 /nfs/dbraw/zinc/86/06/76/561860676.db2.gz VFTBMHHOSKDGPC-VWLOTQADSA-N 2 2 541.580 6.075 1 0 KKAFLP CCCC[C@@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1-c1ccccc1C ZINC000027441981 561860824 /nfs/dbraw/zinc/86/08/24/561860824.db2.gz NHQNXUAJLTWRDQ-IRPSRAIASA-N 2 2 550.769 6.038 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517878 561861612 /nfs/dbraw/zinc/86/16/12/561861612.db2.gz OVNDNIJQJAWJBW-PQHLKRTFSA-N 2 2 595.672 7.339 1 0 KKAFLP CCN(CC)c1ccc(N2CC[NH+](CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519603 561863110 /nfs/dbraw/zinc/86/31/10/561863110.db2.gz AGKOFSMXHVZNDI-NLJYJMBESA-N 2 2 627.918 6.555 1 0 KKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1 ZINC000027732635 561881429 /nfs/dbraw/zinc/88/14/29/561881429.db2.gz JGKAPLMXNSTCCA-JOCHJYFZSA-N 2 2 553.277 6.296 1 0 KKAFLP COc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCOCC1 ZINC000028223043 561907528 /nfs/dbraw/zinc/90/75/28/561907528.db2.gz DPBPMEFROJVLKV-UHFFFAOYSA-N 2 2 542.745 6.475 1 0 KKAFLP Cc1ccc(Cl)c(OC2([C@@H](C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3cc[nH+]c3)CCCCC2)c1 ZINC000028347693 561915074 /nfs/dbraw/zinc/91/50/74/561915074.db2.gz AFEMFTNPESLYFE-MUUNZHRXSA-N 2 2 534.104 6.148 1 0 KKAFLP O=C1c2c3ccccc3n(CC3CC[NH2+]CC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1[NH+]1CCC(F)(F)CC1 ZINC000028572003 561939676 /nfs/dbraw/zinc/93/96/76/561939676.db2.gz QEWJDKVCDFGZSN-JWQCQUIFSA-N 2 2 528.043 6.101 1 0 KKAFLP O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000028704481 561948581 /nfs/dbraw/zinc/94/85/81/561948581.db2.gz TXRYRZSQIMOUKK-UHFFFAOYSA-N 2 2 559.645 6.168 1 0 KKAFLP CCC(=C(c1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000028821487 561966456 /nfs/dbraw/zinc/96/64/56/561966456.db2.gz SUUSHNJKHBMTFM-UHFFFAOYSA-N 2 2 542.720 5.478 1 0 KKAFLP C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CCC[NH+](C)C)ccn32)n1)c1ccccc1 ZINC000028822156 561966703 /nfs/dbraw/zinc/96/67/03/561966703.db2.gz WYKQRLAUQMWREL-QHCPKHFHSA-N 2 2 537.687 6.154 1 0 KKAFLP C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)CCC[NH+](C)C)ccn32)n1)c1ccccc1 ZINC000028822156 561966705 /nfs/dbraw/zinc/96/67/05/561966705.db2.gz WYKQRLAUQMWREL-QHCPKHFHSA-N 2 2 537.687 6.154 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(Cl)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823417 561968075 /nfs/dbraw/zinc/96/80/75/561968075.db2.gz NTWAGIMASKPMMC-UHFFFAOYSA-N 2 2 552.207 7.844 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C)C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889659 561978029 /nfs/dbraw/zinc/97/80/29/561978029.db2.gz MZINAXOPBUWVQD-KDYSTLNUSA-N 2 2 549.090 5.918 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C)C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889659 561978030 /nfs/dbraw/zinc/97/80/30/561978030.db2.gz MZINAXOPBUWVQD-KDYSTLNUSA-N 2 2 549.090 5.918 1 0 KKAFLP O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCn2cc[nH+]c2C1 ZINC000028889712 561978184 /nfs/dbraw/zinc/97/81/84/561978184.db2.gz XOKGJXJBSQRSGL-FNZWTVRRSA-N 2 2 558.057 6.040 1 0 KKAFLP COc1ccc(SCCC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029563377 562033824 /nfs/dbraw/zinc/03/38/24/562033824.db2.gz FVJVHCWYAPQPJS-UHFFFAOYSA-N 2 2 504.675 6.291 1 0 KKAFLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033865155 562037667 /nfs/dbraw/zinc/03/76/67/562037667.db2.gz LXABGYAXHNLPEO-OAQYLSRUSA-N 2 2 501.030 5.999 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cccc(F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000034327264 562038818 /nfs/dbraw/zinc/03/88/18/562038818.db2.gz TZNPVFNZNVKXMU-UHFFFAOYSA-N 2 2 524.055 6.747 1 0 KKAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351734 562059132 /nfs/dbraw/zinc/05/91/32/562059132.db2.gz MHCFNPUPBDQPNI-HBVNVMGMSA-N 3 2 576.780 5.781 1 0 KKAFLP FC(F)(F)c1cc(C[NH2+][C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000036415058 562060589 /nfs/dbraw/zinc/06/05/89/562060589.db2.gz IJPXQDBNHGVJAQ-SVBPBHIXSA-N 2 2 518.545 7.109 1 0 KKAFLP [NH3+][C@@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040568414 562078184 /nfs/dbraw/zinc/07/81/84/562078184.db2.gz KYSQZRXWHAPYOE-QFIPXVFZSA-N 2 2 511.510 5.118 1 0 KKAFLP COC(=O)[C@@](CCC[N@H+](C)CCCc1[nH]c2ccc(OC)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082624 /nfs/dbraw/zinc/08/26/24/562082624.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 2 2 530.507 5.746 1 0 KKAFLP COC(=O)[C@@](CCC[N@@H+](C)CCCc1[nH]c2ccc(OC)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082627 /nfs/dbraw/zinc/08/26/27/562082627.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 2 2 530.507 5.746 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]CCOc4cccc(C(F)(F)F)c4Cl)CC3)c2c1 ZINC000045167304 562658041 /nfs/dbraw/zinc/65/80/41/562658041.db2.gz BEKBTCXKHXJUCU-QHCPKHFHSA-N 2 2 523.983 5.082 1 0 KKAFLP Nc1cc2c(c[nH+]1)[nH]cc2C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045192331 562658604 /nfs/dbraw/zinc/65/86/04/562658604.db2.gz PLGNVLILZHPUET-DUXPYHPUSA-N 2 2 512.485 5.583 1 0 KKAFLP O=C(Nc1cccc(Cl)c1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000048307356 562663024 /nfs/dbraw/zinc/66/30/24/562663024.db2.gz PEALYASVUDIBMR-UHFFFAOYSA-N 2 2 571.150 7.074 1 0 KKAFLP CS(=O)(=O)CC[NH2+]Cc1cccc(-c2cc3[nH+]ccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000048308964 562663195 /nfs/dbraw/zinc/66/31/95/562663195.db2.gz NRKWXKXUIZVUIG-UHFFFAOYSA-N 2 2 558.103 7.225 1 0 KKAFLP COc1cc2ccccc2cc1OCCCN1CC[NH+](C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000049605209 562665486 /nfs/dbraw/zinc/66/54/86/562665486.db2.gz YMYIGUPBKRNGHH-HKBQPEDESA-N 2 2 548.747 5.141 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCC[C@H]3CCC[N@@H+]3C)nc21 ZINC000049605603 562666070 /nfs/dbraw/zinc/66/60/70/562666070.db2.gz GIMUQLCVOVKVCW-LJQANCHMSA-N 2 2 556.568 5.728 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCC[C@H]3CCC[N@H+]3C)nc21 ZINC000049605603 562666071 /nfs/dbraw/zinc/66/60/71/562666071.db2.gz GIMUQLCVOVKVCW-LJQANCHMSA-N 2 2 556.568 5.728 1 0 KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](n4c[nH+]c(CC[NH3+])c4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678324 562668518 /nfs/dbraw/zinc/66/85/18/562668518.db2.gz YXLRIBHYEQBYDG-BULFVYHESA-N 2 2 513.811 6.132 1 0 KKAFLP CCOc1ccc(C(OC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COC(c2ccc(OCC)cc2)c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 ZINC000049694926 562669975 /nfs/dbraw/zinc/66/99/75/562669975.db2.gz XRSSEEYWANEWJZ-ZPGRZCPFSA-N 2 2 716.916 6.095 1 0 KKAFLP CN(CC[N@H+](C)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000049695047 562670128 /nfs/dbraw/zinc/67/01/28/562670128.db2.gz NEKOXQMHQMJFTR-UHFFFAOYSA-N 2 2 609.429 6.658 1 0 KKAFLP CN(CC[N@@H+](C)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000049695047 562670129 /nfs/dbraw/zinc/67/01/29/562670129.db2.gz NEKOXQMHQMJFTR-UHFFFAOYSA-N 2 2 609.429 6.658 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C1=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 ZINC000049710695 562671779 /nfs/dbraw/zinc/67/17/79/562671779.db2.gz OCAITHWZDZINCE-OMYQUQFTSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C1=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 ZINC000049710695 562671780 /nfs/dbraw/zinc/67/17/80/562671780.db2.gz OCAITHWZDZINCE-OMYQUQFTSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C1=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 ZINC000049710695 562671781 /nfs/dbraw/zinc/67/17/81/562671781.db2.gz OCAITHWZDZINCE-OMYQUQFTSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C1=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 ZINC000049710695 562671782 /nfs/dbraw/zinc/67/17/82/562671782.db2.gz OCAITHWZDZINCE-OMYQUQFTSA-N 3 2 582.833 6.046 1 0 KKAFLP Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000049710736 562671836 /nfs/dbraw/zinc/67/18/36/562671836.db2.gz CLBNKMONVUCWAC-FQEVSTJZSA-N 2 2 564.637 5.568 1 0 KKAFLP Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000049710736 562671837 /nfs/dbraw/zinc/67/18/37/562671837.db2.gz CLBNKMONVUCWAC-FQEVSTJZSA-N 2 2 564.637 5.568 1 0 KKAFLP Clc1ccc(CN2CCC([NH+]3CCN(c4ncc(C[NH2+]Cc5ccc(Cl)c(Cl)c5)cc4Cl)CC3)CC2)cc1 ZINC000049723056 562672869 /nfs/dbraw/zinc/67/28/69/562672869.db2.gz HWXBHDJUVCXZCH-UHFFFAOYSA-N 2 2 593.430 6.772 1 0 KKAFLP Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(-n5cc[nH+]c5)c(N5CC[NH+](C)CC5)c4)cc3)c(C)c2)no1 ZINC000049745616 562673940 /nfs/dbraw/zinc/67/39/40/562673940.db2.gz ACAVTWGKUUNFPF-UHFFFAOYSA-N 2 2 533.636 5.210 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745588 562673947 /nfs/dbraw/zinc/67/39/47/562673947.db2.gz OOGJFMGCOJHKAP-UHFFFAOYSA-N 2 2 592.810 5.258 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049745588 562673948 /nfs/dbraw/zinc/67/39/48/562673948.db2.gz OOGJFMGCOJHKAP-UHFFFAOYSA-N 2 2 592.810 5.258 1 0 KKAFLP O=C(NCC[NH+](CCNc1cc[nH+]c2cc(Cl)ccc12)CCNc1cc[nH+]c2cc(Cl)ccc12)C1CCC1 ZINC000049766471 562677027 /nfs/dbraw/zinc/67/70/27/562677027.db2.gz ZNDHWGFQNMCXNB-UHFFFAOYSA-N 3 2 551.522 5.832 1 0 KKAFLP Cc1cc2[nH+]c(N3CCC[C@H]3C[NH+]3CCCC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049767016 562677310 /nfs/dbraw/zinc/67/73/10/562677310.db2.gz DOJSOAHHEAYUAM-VWLOTQADSA-N 2 2 544.784 6.901 1 0 KKAFLP O=C(c1ccc(-c2c[nH+]c3c(c2)N(Cc2c(Cl)cccc2Cl)CCN3)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000049803779 562686256 /nfs/dbraw/zinc/68/62/56/562686256.db2.gz UBZXFTVYCQWOSJ-DEOSSOPVSA-N 2 2 550.534 6.188 1 0 KKAFLP COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)[N@H+](C)CC5)cc1)[NH+](C)CC2 ZINC000049881872 562691198 /nfs/dbraw/zinc/69/11/98/562691198.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 2 2 696.841 7.063 1 0 KKAFLP COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)[N@@H+](C)CC5)cc1)[NH+](C)CC2 ZINC000049881872 562691199 /nfs/dbraw/zinc/69/11/99/562691199.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 2 2 696.841 7.063 1 0 KKAFLP COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)[NH+](C)CC5)cc1)[N@H+](C)CC2 ZINC000049881872 562691200 /nfs/dbraw/zinc/69/12/00/562691200.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 2 2 696.841 7.063 1 0 KKAFLP COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)[NH+](C)CC5)cc1)[N@@H+](C)CC2 ZINC000049881872 562691201 /nfs/dbraw/zinc/69/12/01/562691201.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 2 2 696.841 7.063 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCCC[N@@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694101 /nfs/dbraw/zinc/69/41/01/562694101.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 2 2 600.594 8.951 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCCC[N@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694102 /nfs/dbraw/zinc/69/41/02/562694102.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 2 2 600.594 8.951 1 0 KKAFLP Cc1cn2cc(C[C@H](C)C[N@@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2[nH+]1 ZINC000049952310 562695765 /nfs/dbraw/zinc/69/57/65/562695765.db2.gz JDSZHODNCMSGLL-LBDANMEMSA-N 2 2 549.710 5.187 1 0 KKAFLP Cc1cn2cc(C[C@H](C)C[N@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2[nH+]1 ZINC000049952310 562695766 /nfs/dbraw/zinc/69/57/66/562695766.db2.gz JDSZHODNCMSGLL-LBDANMEMSA-N 2 2 549.710 5.187 1 0 KKAFLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297061 562697442 /nfs/dbraw/zinc/69/74/42/562697442.db2.gz FAIUHYZCSXCGFU-QHCPKHFHSA-N 2 2 580.615 5.571 1 0 KKAFLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297061 562697443 /nfs/dbraw/zinc/69/74/43/562697443.db2.gz FAIUHYZCSXCGFU-QHCPKHFHSA-N 2 2 580.615 5.571 1 0 KKAFLP CC[C@@H](C)NC(=[NH2+])c1cccc(OCc2ccc3cc(COc4cccc(C(=[NH2+])N[C@H](C)CC)c4)ccc3c2)c1 ZINC000058599291 562700789 /nfs/dbraw/zinc/70/07/89/562700789.db2.gz AEBQKSLOMPAZPW-DNQXCXABSA-N 2 2 536.720 7.425 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066073983 562709680 /nfs/dbraw/zinc/70/96/80/562709680.db2.gz RZZCRJFYHDAULL-YAZNYETNSA-N 2 2 548.722 6.970 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066073983 562709681 /nfs/dbraw/zinc/70/96/81/562709681.db2.gz RZZCRJFYHDAULL-YAZNYETNSA-N 2 2 548.722 6.970 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCCC3)n2)CC1 ZINC000066074077 562709703 /nfs/dbraw/zinc/70/97/03/562709703.db2.gz VGYVNPSRBQKVQY-UHFFFAOYSA-N 2 2 544.107 5.693 1 0 KKAFLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074276 562709769 /nfs/dbraw/zinc/70/97/69/562709769.db2.gz NLIKRVUFEZIMOB-NRFANRHFSA-N 2 2 554.085 5.118 1 0 KKAFLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074276 562709770 /nfs/dbraw/zinc/70/97/70/562709770.db2.gz NLIKRVUFEZIMOB-NRFANRHFSA-N 2 2 554.085 5.118 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3ccccc3C)n2)CC1 ZINC000066076368 562710111 /nfs/dbraw/zinc/71/01/11/562710111.db2.gz WVVIHQFAMBXNCK-UHFFFAOYSA-N 2 2 566.113 6.754 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071280825 562716600 /nfs/dbraw/zinc/71/66/00/562716600.db2.gz HTCRWUGPSVKEOD-BETPUDKTSA-N 2 2 600.729 7.796 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071280825 562716601 /nfs/dbraw/zinc/71/66/01/562716601.db2.gz HTCRWUGPSVKEOD-BETPUDKTSA-N 2 2 600.729 7.796 1 0 KKAFLP CNc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281441 562716673 /nfs/dbraw/zinc/71/66/73/562716673.db2.gz DJZPIUMKFAGORF-BWMKXQIXSA-N 2 2 547.747 6.510 1 0 KKAFLP CNc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281441 562716674 /nfs/dbraw/zinc/71/66/74/562716674.db2.gz DJZPIUMKFAGORF-BWMKXQIXSA-N 2 2 547.747 6.510 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071281785 562716773 /nfs/dbraw/zinc/71/67/73/562716773.db2.gz VWICMIXPVPBSFH-BETPUDKTSA-N 2 2 567.177 7.430 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071281785 562716774 /nfs/dbraw/zinc/71/67/74/562716774.db2.gz VWICMIXPVPBSFH-BETPUDKTSA-N 2 2 567.177 7.430 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000071294444 562716849 /nfs/dbraw/zinc/71/68/49/562716849.db2.gz RHNDDANSHAHRMU-BETPUDKTSA-N 2 2 550.722 6.916 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000071294444 562716850 /nfs/dbraw/zinc/71/68/50/562716850.db2.gz RHNDDANSHAHRMU-BETPUDKTSA-N 2 2 550.722 6.916 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000071294387 562716856 /nfs/dbraw/zinc/71/68/56/562716856.db2.gz IYGVPYIYKUYUKP-ULJKERAFSA-N 2 2 568.712 7.055 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000071294387 562716857 /nfs/dbraw/zinc/71/68/57/562716857.db2.gz IYGVPYIYKUYUKP-ULJKERAFSA-N 2 2 568.712 7.055 1 0 KKAFLP C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCC[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000071297080 562717693 /nfs/dbraw/zinc/71/76/93/562717693.db2.gz KHXUDLHKQASZJR-UHFFFAOYSA-N 2 2 588.752 6.299 1 0 KKAFLP C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCC[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000071297080 562717694 /nfs/dbraw/zinc/71/76/94/562717694.db2.gz KHXUDLHKQASZJR-UHFFFAOYSA-N 2 2 588.752 6.299 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(C(C)C)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129820 562726405 /nfs/dbraw/zinc/72/64/05/562726405.db2.gz KQEPGXKTWQOWGB-BCFRNYDHSA-N 2 2 688.338 7.201 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(C(C)C)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129820 562726406 /nfs/dbraw/zinc/72/64/06/562726406.db2.gz KQEPGXKTWQOWGB-BCFRNYDHSA-N 2 2 688.338 7.201 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(F)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129960 562726669 /nfs/dbraw/zinc/72/66/69/562726669.db2.gz IAOKTLFQWXBFIY-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(F)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129960 562726670 /nfs/dbraw/zinc/72/66/70/562726670.db2.gz IAOKTLFQWXBFIY-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147610 562729740 /nfs/dbraw/zinc/72/97/40/562729740.db2.gz AFFAQTIQURLOEQ-NHKHRBQYSA-N 2 2 703.111 6.105 1 0 KKAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073198129 562735518 /nfs/dbraw/zinc/73/55/18/562735518.db2.gz CTMPEJUEISMGOY-WJOKGBTCSA-N 2 2 609.598 5.611 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(C[NH2+]CCF)ccc1Cl)C1CC1 ZINC000082154596 562740414 /nfs/dbraw/zinc/74/04/14/562740414.db2.gz KXPQZECSZUOAFK-WJOKGBTCSA-N 2 2 627.588 5.560 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)[NH+](C)CC4)cc1OC ZINC000082185545 562742273 /nfs/dbraw/zinc/74/22/73/562742273.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)[NH+](C)CC4)cc1OC ZINC000082185545 562742274 /nfs/dbraw/zinc/74/22/74/562742274.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)[N@H+](C)CC4)cc1OC ZINC000082185545 562742275 /nfs/dbraw/zinc/74/22/75/562742275.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)[N@@H+](C)CC4)cc1OC ZINC000082185545 562742276 /nfs/dbraw/zinc/74/22/76/562742276.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1ccc(F)cc1-c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000084373677 562742900 /nfs/dbraw/zinc/74/29/00/562742900.db2.gz RNYSYXPINOUNRW-HSZRJFAPSA-N 2 2 515.604 5.307 1 0 KKAFLP C[C@@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)cc3)c[nH+]c2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654622 562747302 /nfs/dbraw/zinc/74/73/02/562747302.db2.gz KPYFHKXGOZSVEX-GOSISDBHSA-N 2 2 534.582 6.317 1 0 KKAFLP O=C(C[N@@H+]1CCc2cc(-c3cccc(-c4[nH]cc[nH+]4)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 562757637 /nfs/dbraw/zinc/75/76/37/562757637.db2.gz BZEWCHJVLHXDJE-DHUJRADRSA-N 3 2 628.648 8.243 1 0 KKAFLP O=C(C[N@H+]1CCc2cc(-c3cccc(-c4[nH]cc[nH+]4)c3)ccc2[C@@H]1C1CC[NH+](C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 562757638 /nfs/dbraw/zinc/75/76/38/562757638.db2.gz BZEWCHJVLHXDJE-DHUJRADRSA-N 3 2 628.648 8.243 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000095842791 562789421 /nfs/dbraw/zinc/78/94/21/562789421.db2.gz ZCFURLKVMXTVMO-UHFFFAOYSA-N 2 2 555.000 6.630 1 0 KKAFLP Cc1cc(=O)oc2cc(OCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271838 562793956 /nfs/dbraw/zinc/79/39/56/562793956.db2.gz VRTZOHZVMJKYNS-UHFFFAOYSA-N 2 2 582.745 5.724 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2cccc(F)c2)C1 ZINC000100076304 562806600 /nfs/dbraw/zinc/80/66/00/562806600.db2.gz YYKDOSVRRGZVAV-RLPLKTQASA-N 2 2 572.729 5.840 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2cccc(F)c2)C1 ZINC000100076304 562806601 /nfs/dbraw/zinc/80/66/01/562806601.db2.gz YYKDOSVRRGZVAV-RLPLKTQASA-N 2 2 572.729 5.840 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193587 562809887 /nfs/dbraw/zinc/80/98/87/562809887.db2.gz QOMFGNPECFGGMF-JRLXJTRMSA-N 2 2 606.767 6.491 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193587 562809888 /nfs/dbraw/zinc/80/98/88/562809888.db2.gz QOMFGNPECFGGMF-JRLXJTRMSA-N 2 2 606.767 6.491 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000101525519 562811242 /nfs/dbraw/zinc/81/12/42/562811242.db2.gz BMQGIPHCTZAMMW-YHTXFFTCSA-N 2 2 532.732 6.777 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000101525519 562811243 /nfs/dbraw/zinc/81/12/43/562811243.db2.gz BMQGIPHCTZAMMW-YHTXFFTCSA-N 2 2 532.732 6.777 1 0 KKAFLP C[N@H+](C[C@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745636 562849732 /nfs/dbraw/zinc/84/97/32/562849732.db2.gz PWIBKSRNGJCKTO-HNNXBMFYSA-N 2 2 679.093 6.792 1 0 KKAFLP C[N@@H+](C[C@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745636 562849733 /nfs/dbraw/zinc/84/97/33/562849733.db2.gz PWIBKSRNGJCKTO-HNNXBMFYSA-N 2 2 679.093 6.792 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC000114035118 562826997 /nfs/dbraw/zinc/82/69/97/562826997.db2.gz NZSZHFYWNIRTCK-LJQANCHMSA-N 2 2 532.019 6.295 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CCC[C@H](CC[NH+](C)C)C1 ZINC000114037335 562827101 /nfs/dbraw/zinc/82/71/01/562827101.db2.gz RBIUKSNOCNBWKG-XLIONFOSSA-N 2 2 500.470 7.039 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037193 562827167 /nfs/dbraw/zinc/82/71/67/562827167.db2.gz GRTLNJODWXNLKX-HXUWFJFHSA-N 2 2 544.055 5.928 1 0 KKAFLP [NH3+][C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038110 562827216 /nfs/dbraw/zinc/82/72/16/562827216.db2.gz DUCVDAMLKWEHIL-GOSISDBHSA-N 2 2 517.992 5.669 1 0 KKAFLP C[NH+]1CCC(n2cc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000114039160 562827409 /nfs/dbraw/zinc/82/74/09/562827409.db2.gz LKBNIFQBLUAWMO-UHFFFAOYSA-N 2 2 520.008 6.199 1 0 KKAFLP CC(C)[NH+]1CCC(C(=O)Nc2cc(Oc3ccc4c(c3)[nH+]c(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1 ZINC000138709022 562832167 /nfs/dbraw/zinc/83/21/67/562832167.db2.gz NLHOWBQQPCBEPZ-UHFFFAOYSA-N 2 2 570.591 6.721 1 0 KKAFLP O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H](Cc1ccccc1)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccccc1)C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000150560179 562844879 /nfs/dbraw/zinc/84/48/79/562844879.db2.gz IKNHFOBVODXQFV-UWXQCODUSA-N 2 2 815.762 6.189 1 0 KKAFLP O[C@H](COc1c(Br)cc(C2(c3cc(Br)c(OC[C@@H](O)C[NH+]4CCOCC4)c(Br)c3)CCCC2)cc1Br)C[NH+]1CCOCC1 ZINC000150571453 562845105 /nfs/dbraw/zinc/84/51/05/562845105.db2.gz VXOHPPOEKZPICY-ZEQRLZLVSA-N 2 2 856.285 5.741 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)[nH]c4c3)o2)cc1)c1ccccc1 ZINC000150599284 562846948 /nfs/dbraw/zinc/84/69/48/562846948.db2.gz KZUJWSNYJOUTAI-HTNZGVODSA-N 2 2 764.931 7.084 1 0 KKAFLP COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(-n6c[nH+]c(C)c6)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000165279390 562850047 /nfs/dbraw/zinc/85/00/47/562850047.db2.gz RLRYMLOEMUFYME-UHFFFAOYSA-N 2 2 646.678 5.005 1 0 KKAFLP COc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)c1 ZINC000169323794 562857158 /nfs/dbraw/zinc/85/71/58/562857158.db2.gz AYPAISSLPNQCRC-UHFFFAOYSA-N 2 2 612.138 6.447 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3ccc(OC)cc3)n2)CC1 ZINC000169323798 562857178 /nfs/dbraw/zinc/85/71/78/562857178.db2.gz GDDSDYZAGYEKQE-UHFFFAOYSA-N 2 2 582.112 6.455 1 0 KKAFLP Clc1ccc2c(Nc3ccc(Nc4nc(NCCC[NH+]5CCOCC5)nc(N5CCCc6ccccc65)n4)cc3)cc[nH+]c2c1 ZINC000169323823 562857209 /nfs/dbraw/zinc/85/72/09/562857209.db2.gz MDFQBNGKUVMXOV-UHFFFAOYSA-N 2 2 622.177 6.779 1 0 KKAFLP [NH2+]=c1n(CCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 ZINC000169718107 562871287 /nfs/dbraw/zinc/87/12/87/562871287.db2.gz LYLXRWRDESAGLV-UHFFFAOYSA-N 2 2 514.677 6.125 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N1CCC(C2CC[NH2+]CC2)CC1)C1CC1 ZINC000219389045 562878170 /nfs/dbraw/zinc/87/81/70/562878170.db2.gz PVNZQGZWEUSTSQ-UHFFFAOYSA-N 2 2 524.492 6.723 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299840917 562888716 /nfs/dbraw/zinc/88/87/16/562888716.db2.gz WTRLYZUEDFZGKI-UHFFFAOYSA-N 2 2 565.828 6.058 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299840917 562888717 /nfs/dbraw/zinc/88/87/17/562888717.db2.gz WTRLYZUEDFZGKI-UHFFFAOYSA-N 2 2 565.828 6.058 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129829 562900056 /nfs/dbraw/zinc/90/00/56/562900056.db2.gz ITXUJDTVHQVSLI-JNQIMCCTSA-N 2 2 509.666 5.771 1 0 KKAFLP CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)C[C@@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129829 562900057 /nfs/dbraw/zinc/90/00/57/562900057.db2.gz ITXUJDTVHQVSLI-JNQIMCCTSA-N 2 2 509.666 5.771 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1)C1CC1 ZINC000473152119 562901738 /nfs/dbraw/zinc/90/17/38/562901738.db2.gz KUHSFMJRJUXBEC-LBZQVFOQSA-N 2 2 522.064 6.481 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901768 /nfs/dbraw/zinc/90/17/68/562901768.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N 2 2 540.054 6.429 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901769 /nfs/dbraw/zinc/90/17/69/562901769.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N 2 2 540.054 6.429 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179721 562903426 /nfs/dbraw/zinc/90/34/26/562903426.db2.gz IXCHJMYKGOCIGQ-VJBMBRPKSA-N 3 2 537.104 5.288 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179721 562903427 /nfs/dbraw/zinc/90/34/27/562903427.db2.gz IXCHJMYKGOCIGQ-VJBMBRPKSA-N 3 2 537.104 5.288 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473197538 562903709 /nfs/dbraw/zinc/90/37/09/562903709.db2.gz BAQXOGKBXCQITA-IRJFHVNHSA-N 2 2 528.524 7.097 1 0 KKAFLP NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215516 562904143 /nfs/dbraw/zinc/90/41/43/562904143.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 2 2 503.735 5.575 1 0 KKAFLP NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215516 562904144 /nfs/dbraw/zinc/90/41/44/562904144.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 2 2 503.735 5.575 1 0 KKAFLP NC(=O)C[NH+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215516 562904145 /nfs/dbraw/zinc/90/41/45/562904145.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 2 2 503.735 5.575 1 0 KKAFLP NC(=O)C[NH+]1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215516 562904146 /nfs/dbraw/zinc/90/41/46/562904146.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 2 2 503.735 5.575 1 0 KKAFLP C[C@@H](Nc1nc(N)[nH+]c2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834976 562914664 /nfs/dbraw/zinc/91/46/64/562914664.db2.gz QTBWGIVMQAJFJW-CYBMUJFWSA-N 2 2 500.409 5.619 1 0 KKAFLP CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4Cc4cc[nH+]c(N)c4)C(=O)O/C5=C\C[C@H](C)C[NH2+]C)[C@@H]32)CCCC1 ZINC000085571198 291920517 /nfs/dbraw/zinc/92/05/17/291920517.db2.gz GNJBVDOKBCCUSZ-HHMNFIJLSA-N 2 2 583.773 6.333 1 0 biogenic,in-vitro KKAFLP C[C@H](Nc1cc(-c2cc(C3CC[NH2+]CC3)nnc2-c2cccc(C(F)(F)F)c2)cc[nH+]1)c1ccccc1 ZINC000001548322 561677439 /nfs/dbraw/zinc/67/74/39/561677439.db2.gz GIIJYBGGSHHNBP-IBGZPJMESA-N 2 2 503.572 6.865 1 0 KKAFLP O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1scc(C[NH2+]CCCn2cc[nH+]c2)c1Cl ZINC000014963746 561749195 /nfs/dbraw/zinc/74/91/95/561749195.db2.gz SGUFDEKHCMVEHV-UHFFFAOYSA-N 2 2 562.910 6.589 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026187482 561772814 /nfs/dbraw/zinc/77/28/14/561772814.db2.gz ZLRROAUTLNAPJK-UHFFFAOYSA-N 2 2 643.660 5.142 1 0 KKAFLP C(=C/Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCOCC2)cc1)\Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000026574935 561798931 /nfs/dbraw/zinc/79/89/31/561798931.db2.gz CQTGVKLTMSDNTL-AATRIKPKSA-N 2 2 726.922 7.179 1 0 KKAFLP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1c(Cl)sc(Cl)c1Br ZINC000026577004 561800834 /nfs/dbraw/zinc/80/08/34/561800834.db2.gz XREYEEQZXCQXKZ-UHFFFAOYSA-N 2 2 655.899 5.807 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)c2ccnc3ccccc32)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026674381 561813485 /nfs/dbraw/zinc/81/34/85/561813485.db2.gz AYYJRKHLKVWBKT-UHFFFAOYSA-N 2 2 580.088 6.961 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+][C@H](C(C)C)C3)c2c1 ZINC000026729958 561816654 /nfs/dbraw/zinc/81/66/54/561816654.db2.gz ZHKULDQPRKBNKV-QFIPXVFZSA-N 2 2 515.104 5.646 1 0 KKAFLP COC(=O)[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750949 561819696 /nfs/dbraw/zinc/81/96/96/561819696.db2.gz XAKNITJBZPITFX-DCMFLLSESA-N 2 2 532.769 5.674 1 0 KKAFLP COC(=O)[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026750949 561819698 /nfs/dbraw/zinc/81/96/98/561819698.db2.gz XAKNITJBZPITFX-DCMFLLSESA-N 2 2 532.769 5.674 1 0 KKAFLP C[NH+](C)Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000026832864 561823463 /nfs/dbraw/zinc/82/34/63/561823463.db2.gz HYIPPTOQMVEENL-UHFFFAOYSA-N 2 2 570.738 5.740 1 0 KKAFLP COc1cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843812 561826089 /nfs/dbraw/zinc/82/60/89/561826089.db2.gz RMHALYQZHFLFFL-GDLZYMKVSA-N 2 2 655.623 5.299 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026845660 561826551 /nfs/dbraw/zinc/82/65/51/561826551.db2.gz WSYQSMJFBSIBRN-LJAQVGFWSA-N 2 2 701.539 7.311 1 0 KKAFLP Clc1ccc2c(NCCCCCC[NH2+]CCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027433058 561859580 /nfs/dbraw/zinc/85/95/80/561859580.db2.gz GHMZAGGRDVKUQN-UHFFFAOYSA-N 3 2 538.567 8.324 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2[C@H](Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1 ZINC000027527247 561866802 /nfs/dbraw/zinc/86/68/02/561866802.db2.gz OYBVZJCDJJMVCO-GDLZYMKVSA-N 2 2 539.572 7.945 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[NH2+]CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027635636 561874332 /nfs/dbraw/zinc/87/43/32/561874332.db2.gz KWYPWVKRUAHLRV-WJOKGBTCSA-N 3 2 593.216 5.607 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(Oc2ccccc2)c1 ZINC000027643476 561875549 /nfs/dbraw/zinc/87/55/49/561875549.db2.gz NIQMZABATFQIMI-UHFFFAOYSA-N 2 2 558.126 5.920 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(Oc2ccccc2)c1 ZINC000027643476 561875551 /nfs/dbraw/zinc/87/55/51/561875551.db2.gz NIQMZABATFQIMI-UHFFFAOYSA-N 2 2 558.126 5.920 1 0 KKAFLP O=C(Nc1ccc(C(=O)N2Cc3ccc(C[NH+]4CCC([NH+]5CCCCC5)CC4)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000027877854 561888799 /nfs/dbraw/zinc/88/87/99/561888799.db2.gz BAZKFNFCVFOMJT-UHFFFAOYSA-N 2 2 698.311 8.720 1 0 KKAFLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC(c1ccccc1)c1ccccc1 ZINC000028124450 561904801 /nfs/dbraw/zinc/90/48/01/561904801.db2.gz LYJTYWBVFKIGFN-UHFFFAOYSA-N 3 2 545.815 7.417 1 0 KKAFLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC(c1ccccc1)c1ccccc1 ZINC000028124450 561904802 /nfs/dbraw/zinc/90/48/02/561904802.db2.gz LYJTYWBVFKIGFN-UHFFFAOYSA-N 3 2 545.815 7.417 1 0 KKAFLP O=C([C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nccs1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028477755 561928706 /nfs/dbraw/zinc/92/87/06/561928706.db2.gz ZTOWELBACSHINK-HHHXNRCGSA-N 2 2 614.668 5.893 1 0 KKAFLP COc1ccccc1C[NH+]1CCN(c2nc(-n3nc(-c4ccc(OC)c(OC)c4)cc3SC)nc(N3CC[NH+](Cc4ccccc4OC)CC3)n2)CC1 ZINC000028528567 561933151 /nfs/dbraw/zinc/93/31/51/561933151.db2.gz DPRDMSQCPDSFJB-UHFFFAOYSA-N 2 2 737.931 5.125 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000028538564 561935162 /nfs/dbraw/zinc/93/51/62/561935162.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000028538564 561935164 /nfs/dbraw/zinc/93/51/64/561935164.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000028538564 561935166 /nfs/dbraw/zinc/93/51/66/561935166.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000028538564 561935167 /nfs/dbraw/zinc/93/51/67/561935167.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP Cc1cc(NCC(C)(C)C[NH+](C)C)[nH+]c2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028569517 561938184 /nfs/dbraw/zinc/93/81/84/561938184.db2.gz YCMLUYXNNCQCLL-UHFFFAOYSA-N 2 2 504.553 5.459 1 0 KKAFLP Cc1cccn2cc(-c3ccc(OCCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)[nH+]c12 ZINC000028711435 561951946 /nfs/dbraw/zinc/95/19/46/561951946.db2.gz FBEPBNQZIQSTRT-UHFFFAOYSA-N 2 2 509.481 6.598 1 0 KKAFLP C1CN1[P@@]1(N2CCCC2)=NP(N2CCCC2)(N2CCCC2)=[NH+]P(N2CCCC2)(N2CCCC2)=[NH+]1 ZINC000028762818 561958524 /nfs/dbraw/zinc/95/85/24/561958524.db2.gz OYMMTJNUXUOWBO-UHFFFAOYSA-N 2 2 527.579 5.633 1 0 KKAFLP C1CN1[P@]1(N2CCCC2)=NP(N2CCCC2)(N2CCCC2)=[NH+]P(N2CCCC2)(N2CCCC2)=[NH+]1 ZINC000028762818 561958525 /nfs/dbraw/zinc/95/85/25/561958525.db2.gz OYMMTJNUXUOWBO-UHFFFAOYSA-N 2 2 527.579 5.633 1 0 KKAFLP C[NH+](CCC[N@@H+](C)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000028772228 561961650 /nfs/dbraw/zinc/96/16/50/561961650.db2.gz JCKMBTJHPDQUEA-UHFFFAOYSA-N 2 2 628.685 5.631 1 0 KKAFLP C[NH+](CCC[N@H+](C)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000028772228 561961653 /nfs/dbraw/zinc/96/16/53/561961653.db2.gz JCKMBTJHPDQUEA-UHFFFAOYSA-N 2 2 628.685 5.631 1 0 KKAFLP CC(=O)Nc1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823410 561968103 /nfs/dbraw/zinc/96/81/03/561968103.db2.gz ZFHQHJWWOYZMOB-UHFFFAOYSA-N 2 2 574.814 7.149 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000029466604 562024495 /nfs/dbraw/zinc/02/44/95/562024495.db2.gz DGDQFYDLHSUEFE-UHFFFAOYSA-N 2 2 695.349 6.056 1 0 KKAFLP Fc1ccc(C(CCC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000029555189 562031917 /nfs/dbraw/zinc/03/19/17/562031917.db2.gz GVBHRUMKHHAKNZ-UHFFFAOYSA-N 2 2 550.697 7.851 1 0 KKAFLP O=C(OCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033865156 562037689 /nfs/dbraw/zinc/03/76/89/562037689.db2.gz RXQQIVAQBYVVOR-UHFFFAOYSA-N 2 2 501.030 6.001 1 0 KKAFLP O=Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351662 562058990 /nfs/dbraw/zinc/05/89/90/562058990.db2.gz HJDXSOXZHJUZJL-UUWRZZSWSA-N 2 2 590.595 7.665 1 0 KKAFLP O=Cc1cccc(-c2ccc3c(c2)CC[N@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](C3CCCC3)CC2)c1 ZINC000036351662 562058991 /nfs/dbraw/zinc/05/89/91/562058991.db2.gz HJDXSOXZHJUZJL-UUWRZZSWSA-N 2 2 590.595 7.665 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CC[N@H+]1C ZINC000038147449 562065625 /nfs/dbraw/zinc/06/56/25/562065625.db2.gz DJAWTLHBPPQMPV-RRPNLBNLSA-N 2 2 562.666 6.909 3 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH2+][C@H]5C2)CC[N@@H+]1C ZINC000038147449 562065626 /nfs/dbraw/zinc/06/56/26/562065626.db2.gz DJAWTLHBPPQMPV-RRPNLBNLSA-N 2 2 562.666 6.909 3 0 KKAFLP CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCC[N@@H+](C(C)C)CC1 ZINC000040420193 562075652 /nfs/dbraw/zinc/07/56/52/562075652.db2.gz FEDGBRFVHIFPHZ-UHFFFAOYSA-N 2 2 516.473 5.703 1 0 KKAFLP CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCC[N@H+](C(C)C)CC1 ZINC000040420193 562075654 /nfs/dbraw/zinc/07/56/54/562075654.db2.gz FEDGBRFVHIFPHZ-UHFFFAOYSA-N 2 2 516.473 5.703 1 0 KKAFLP CCOC(=O)C[N@@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422487 562076006 /nfs/dbraw/zinc/07/60/06/562076006.db2.gz LGYHEKIVFWTNCJ-YVXWPXBXSA-N 2 2 515.525 6.517 1 0 KKAFLP CCOC(=O)C[N@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422487 562076007 /nfs/dbraw/zinc/07/60/07/562076007.db2.gz LGYHEKIVFWTNCJ-YVXWPXBXSA-N 2 2 515.525 6.517 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(C(=O)N2CCCCC2)c1 ZINC000040422617 562076019 /nfs/dbraw/zinc/07/60/19/562076019.db2.gz MXFVZADJLLWXHZ-UHFFFAOYSA-N 2 2 506.050 5.682 1 0 KKAFLP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040952931 562086358 /nfs/dbraw/zinc/08/63/58/562086358.db2.gz JXXMYXNMLBKOAF-QABMSTFYSA-N 3 2 514.117 6.894 1 0 KKAFLP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040952931 562086359 /nfs/dbraw/zinc/08/63/59/562086359.db2.gz JXXMYXNMLBKOAF-QABMSTFYSA-N 3 2 514.117 6.894 1 0 KKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5[nH]c(=O)c(=O)n(Cc6cccnc6)c5c4)CC3)[nH+]2)cc1 ZINC000044306760 562653860 /nfs/dbraw/zinc/65/38/60/562653860.db2.gz DJBINAQGDWQBRE-UHFFFAOYSA-N 2 2 599.739 5.296 1 0 KKAFLP CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C2=[NH+]CCN2)cc1 ZINC000044359210 562655449 /nfs/dbraw/zinc/65/54/49/562655449.db2.gz GQMRFIMBKDRSJE-UHFFFAOYSA-N 2 2 538.699 6.916 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCc2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000044417918 562657188 /nfs/dbraw/zinc/65/71/88/562657188.db2.gz XEFLYHIVRZPKJS-UHFFFAOYSA-N 2 2 558.082 6.483 1 0 KKAFLP COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000045191275 562658567 /nfs/dbraw/zinc/65/85/67/562658567.db2.gz BJAYLPNOSZIIBE-SDNWHVSQSA-N 2 2 520.073 5.634 1 0 KKAFLP C[NH2+]CCN(C)C(=O)Oc1c(Cl)c(C)[nH+]c(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000045191548 562658571 /nfs/dbraw/zinc/65/85/71/562658571.db2.gz MSEVUAAURVGSRN-UHFFFAOYSA-N 2 2 523.939 6.360 1 0 KKAFLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045303104 562660773 /nfs/dbraw/zinc/66/07/73/562660773.db2.gz XDVPZVUMZAKKFV-UHFFFAOYSA-N 2 2 510.679 5.069 1 0 KKAFLP COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3C)cc1)CC2 ZINC000045334522 562661245 /nfs/dbraw/zinc/66/12/45/562661245.db2.gz HTGILZNELBSZCT-SZPZYZBQSA-N 2 2 521.665 5.450 1 0 KKAFLP COc1cc2c(cc1N1C[C@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4[nH]cc[nH+]4)cc3C)cc1)CC2 ZINC000045334526 562661290 /nfs/dbraw/zinc/66/12/90/562661290.db2.gz HTGILZNELBSZCT-VXKWHMMOSA-N 2 2 521.665 5.450 1 0 KKAFLP COc1cccc(CCc2[nH+]c3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@@H]2C[NH2+]CCO2)c1 ZINC000045338627 562661515 /nfs/dbraw/zinc/66/15/15/562661515.db2.gz BZELXZGNHMKBEU-LJAQVGFWSA-N 2 2 524.709 5.278 1 0 KKAFLP COc1cccc(CCc2[nH+]c3c(cccc3N3CCC(Cc4ccccc4)CC3)n2C[C@H]2C[NH2+]CCO2)c1 ZINC000045338629 562661537 /nfs/dbraw/zinc/66/15/37/562661537.db2.gz BZELXZGNHMKBEU-GDLZYMKVSA-N 2 2 524.709 5.278 1 0 KKAFLP CC[NH+]1CCN(c2[nH+]c3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000045357557 562661936 /nfs/dbraw/zinc/66/19/36/562661936.db2.gz HQASOTKPUNGNKH-UHFFFAOYSA-N 2 2 504.719 5.979 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4s3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067629 562663972 /nfs/dbraw/zinc/66/39/72/562663972.db2.gz VJBLQVGHCPRWTP-NDEPHWFRSA-N 2 2 505.691 6.456 1 0 KKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4s3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067629 562663973 /nfs/dbraw/zinc/66/39/73/562663973.db2.gz VJBLQVGHCPRWTP-NDEPHWFRSA-N 2 2 505.691 6.456 1 0 KKAFLP Cc1cc(OCCC[NH+]2CCC(NS(=O)(=O)c3cc(Br)c(Cl)s3)CC2)c2ccccc2[nH+]1 ZINC000049605480 562665980 /nfs/dbraw/zinc/66/59/80/562665980.db2.gz UXEVGCCRKJCQBZ-UHFFFAOYSA-N 2 2 558.951 5.232 1 0 KKAFLP C[C@H]1CCCC[N@@H+]1CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c1)nn2C ZINC000049625515 562666781 /nfs/dbraw/zinc/66/67/81/562666781.db2.gz BZILAFGVDGIZFW-KRWDZBQOSA-N 2 2 602.612 6.648 1 0 KKAFLP C[C@H]1CCCC[N@H+]1CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c1)nn2C ZINC000049625515 562666782 /nfs/dbraw/zinc/66/67/82/562666782.db2.gz BZILAFGVDGIZFW-KRWDZBQOSA-N 2 2 602.612 6.648 1 0 KKAFLP C[NH+]1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000049625777 562666887 /nfs/dbraw/zinc/66/68/87/562666887.db2.gz STDQHEZSDORGRW-UHFFFAOYSA-N 2 2 563.628 5.282 1 0 KKAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049626133 562667018 /nfs/dbraw/zinc/66/70/18/562667018.db2.gz YERIGEPLSXHGGE-DEOSSOPVSA-N 2 2 572.964 6.695 1 0 KKAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049626133 562667019 /nfs/dbraw/zinc/66/70/19/562667019.db2.gz YERIGEPLSXHGGE-DEOSSOPVSA-N 2 2 572.964 6.695 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)N[C@@H]3C[C@H]3c3ccccc3)cs2)cc1 ZINC000049626516 562667217 /nfs/dbraw/zinc/66/72/17/562667217.db2.gz WBHJKHQFAXZOKA-URLMMPGGSA-N 2 2 542.753 6.054 1 0 KKAFLP O=C(NCc1ccc2c(c1)OCO2)c1nn(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000049626539 562667240 /nfs/dbraw/zinc/66/72/40/562667240.db2.gz QQWNNQDDBVPYFQ-UHFFFAOYSA-N 2 2 570.521 5.076 1 0 KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH+]c[nH]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678172 562668483 /nfs/dbraw/zinc/66/84/83/562668483.db2.gz AVFNYTPENXWWCA-BULFVYHESA-N 2 2 513.811 6.117 1 0 in-vivo KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([NH2+]CCc4c[nH]c[nH+]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049678172 562668484 /nfs/dbraw/zinc/66/84/84/562668484.db2.gz AVFNYTPENXWWCA-BULFVYHESA-N 2 2 513.811 6.117 1 0 in-vivo KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)CC[NH+](C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694673 562669659 /nfs/dbraw/zinc/66/96/59/562669659.db2.gz DZFHAGXYMQJPCJ-UHFFFAOYSA-N 3 2 565.766 5.399 1 0 KKAFLP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC([NH+]5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777032 562679548 /nfs/dbraw/zinc/67/95/48/562679548.db2.gz XEZUDLPFBHZQCR-PMERELPUSA-N 2 2 616.872 5.557 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCCC[NH+](C)C)ncn1 ZINC000049777419 562680005 /nfs/dbraw/zinc/68/00/05/562680005.db2.gz UOJUQBSCCIRCHS-UHFFFAOYSA-N 2 2 602.665 6.892 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCN2CC[NH+](C)CC2)ncn1 ZINC000049780439 562681711 /nfs/dbraw/zinc/68/17/11/562681711.db2.gz DUSWCXDALWVDSK-UHFFFAOYSA-N 2 2 629.691 5.798 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783927 562683301 /nfs/dbraw/zinc/68/33/01/562683301.db2.gz YFPJWCABOINEPJ-MAZIBIHTSA-N 2 2 556.750 6.932 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783927 562683302 /nfs/dbraw/zinc/68/33/02/562683302.db2.gz YFPJWCABOINEPJ-MAZIBIHTSA-N 2 2 556.750 6.932 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783927 562683303 /nfs/dbraw/zinc/68/33/03/562683303.db2.gz YFPJWCABOINEPJ-MAZIBIHTSA-N 2 2 556.750 6.932 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783927 562683304 /nfs/dbraw/zinc/68/33/04/562683304.db2.gz YFPJWCABOINEPJ-MAZIBIHTSA-N 2 2 556.750 6.932 1 0 KKAFLP C[NH+](C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049832963 562687327 /nfs/dbraw/zinc/68/73/27/562687327.db2.gz IPKCBFKZZCKGDL-UHFFFAOYSA-N 2 2 693.860 5.129 1 0 KKAFLP C[NH+](C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049832963 562687328 /nfs/dbraw/zinc/68/73/28/562687328.db2.gz IPKCBFKZZCKGDL-UHFFFAOYSA-N 2 2 693.860 5.129 1 0 KKAFLP C[NH+](C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049832963 562687329 /nfs/dbraw/zinc/68/73/29/562687329.db2.gz IPKCBFKZZCKGDL-UHFFFAOYSA-N 2 2 693.860 5.129 1 0 KKAFLP C[NH+]1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7nnc(-c8ccccn8)[nH]7)CC6)cc5)nc4n3)CC2)C1 ZINC000049833228 562687621 /nfs/dbraw/zinc/68/76/21/562687621.db2.gz QIMZVHOQNSASMQ-UHFFFAOYSA-N 2 2 677.861 5.355 1 0 KKAFLP C[NH+]1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7n[nH]c(-c8ccccn8)n7)CC6)cc5)nc4n3)CC2)C1 ZINC000049833228 562687622 /nfs/dbraw/zinc/68/76/22/562687622.db2.gz QIMZVHOQNSASMQ-UHFFFAOYSA-N 2 2 677.861 5.355 1 0 KKAFLP C[NH+]1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7nc(-c8ccccn8)n[nH]7)CC6)cc5)nc4n3)CC2)C1 ZINC000049833228 562687623 /nfs/dbraw/zinc/68/76/23/562687623.db2.gz QIMZVHOQNSASMQ-UHFFFAOYSA-N 2 2 677.861 5.355 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000049833586 562687924 /nfs/dbraw/zinc/68/79/24/562687924.db2.gz FBIOXQLHIASGCT-UHFFFAOYSA-N 2 2 667.295 5.278 1 0 KKAFLP OCC[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841536 562688435 /nfs/dbraw/zinc/68/84/35/562688435.db2.gz RKJKVLYWYOKZCG-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP OCC[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049841536 562688436 /nfs/dbraw/zinc/68/84/36/562688436.db2.gz RKJKVLYWYOKZCG-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP OCC[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841536 562688437 /nfs/dbraw/zinc/68/84/37/562688437.db2.gz RKJKVLYWYOKZCG-UHFFFAOYSA-N 2 2 652.807 5.033 1 0 KKAFLP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCCC[NH+](C)C)ncn1 ZINC000049872013 562689690 /nfs/dbraw/zinc/68/96/90/562689690.db2.gz RCFMYOVNMVCRHQ-UHFFFAOYSA-N 2 2 602.665 6.892 1 0 KKAFLP CCCC[NH+](CCCC)CCCN(CCC[NH+](CCCC)CCCC)c1cc(C)[nH+]c(Nc2ccc(Br)cc2)n1 ZINC000049917747 562693837 /nfs/dbraw/zinc/69/38/37/562693837.db2.gz PEALLRRJLWQILT-UHFFFAOYSA-N 3 2 617.765 8.682 1 0 KKAFLP O=c1cc(NCC[C@H](C[NH2+]CCc2ccccc2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917821 562693940 /nfs/dbraw/zinc/69/39/40/562693940.db2.gz DLYOUUBWJDFSFV-XMMPIXPASA-N 2 2 598.383 5.846 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCC[C@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917841 562694035 /nfs/dbraw/zinc/69/40/35/562694035.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 2 2 572.540 8.171 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCC[C@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917841 562694036 /nfs/dbraw/zinc/69/40/36/562694036.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 2 2 572.540 8.171 1 0 KKAFLP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[NH+]5CCN(C/C=C/c6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000049918070 562694399 /nfs/dbraw/zinc/69/43/99/562694399.db2.gz GLSJDNLNRJJOHX-WIZGORBTSA-N 2 2 631.840 6.047 1 0 KKAFLP FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cc(NCC[NH+]4CCOCC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053293784 562697235 /nfs/dbraw/zinc/69/72/35/562697235.db2.gz NEMYMFDZNYNXME-UHFFFAOYSA-N 2 2 608.547 5.811 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000058583161 562700016 /nfs/dbraw/zinc/70/00/16/562700016.db2.gz QJBBOYHOSJOQGY-UHFFFAOYSA-N 2 2 516.089 6.378 1 0 KKAFLP COCCC[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000064549021 562707977 /nfs/dbraw/zinc/70/79/77/562707977.db2.gz JCKPXXCMARLTQI-UHFFFAOYSA-N 3 2 616.170 5.752 1 0 KKAFLP Clc1cccc(N2CC[NH+](CCCCNc3nc(NCc4ccco4)c4ccccc4[nH+]3)CC2)c1Cl ZINC000066075742 562710031 /nfs/dbraw/zinc/71/00/31/562710031.db2.gz LRTFVZOJATWSOS-UHFFFAOYSA-N 2 2 525.484 6.156 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCCC3)n2)CC1 ZINC000066077895 562710350 /nfs/dbraw/zinc/71/03/50/562710350.db2.gz GAXVQZHUACKDFT-UHFFFAOYSA-N 2 2 530.080 5.303 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)cn1C1CC[NH+](CC[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000066097307 562710782 /nfs/dbraw/zinc/71/07/82/562710782.db2.gz NVLXALPQAJFRPI-GDLZYMKVSA-N 2 2 556.776 5.826 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)n2)CC1 ZINC000066098848 562711023 /nfs/dbraw/zinc/71/10/23/562711023.db2.gz OIHNGCCGQMOIEQ-UHFFFAOYSA-N 2 2 538.059 6.056 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1 ZINC000071282015 562716755 /nfs/dbraw/zinc/71/67/55/562716755.db2.gz XADCPFZWWNPNJO-ULJKERAFSA-N 2 2 611.812 5.424 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1 ZINC000071282015 562716756 /nfs/dbraw/zinc/71/67/56/562716756.db2.gz XADCPFZWWNPNJO-ULJKERAFSA-N 2 2 611.812 5.424 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000072128774 562726328 /nfs/dbraw/zinc/72/63/28/562726328.db2.gz IYBHNCDTZRPADL-FITHBNAOSA-N 2 2 664.247 6.217 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000072128774 562726329 /nfs/dbraw/zinc/72/63/29/562726329.db2.gz IYBHNCDTZRPADL-FITHBNAOSA-N 2 2 664.247 6.217 1 0 KKAFLP COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c1 ZINC000072147607 562729764 /nfs/dbraw/zinc/72/97/64/562729764.db2.gz IZSGQPAFIIQCJJ-NHKHRBQYSA-N 2 2 672.097 7.081 1 0 KKAFLP Cc1cccc(Cl)c1NC(=O)c1cc2cc(Nc3cc(N4CC[NH+](CCO)CC4)nc(C)[nH+]3)ccc2s1 ZINC000073196763 562735160 /nfs/dbraw/zinc/73/51/60/562735160.db2.gz JKCOYKGHHVNNOG-UHFFFAOYSA-N 2 2 537.089 5.072 1 0 KKAFLP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073200463 562736094 /nfs/dbraw/zinc/73/60/94/562736094.db2.gz ICOSYVSOVJKLQU-SSEXGKCCSA-N 2 2 595.571 5.220 1 0 KKAFLP COc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C(=O)N3CCN(c4[nH]c5ccccc5[nH+]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073223515 562736495 /nfs/dbraw/zinc/73/64/95/562736495.db2.gz QKADSHKUXVGWTL-FXVJXKIMSA-N 2 2 557.764 5.759 1 0 KKAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140764 562739611 /nfs/dbraw/zinc/73/96/11/562739611.db2.gz UCYGHYPNSKWROU-MUUNZHRXSA-N 2 2 661.030 5.414 1 0 KKAFLP Clc1cc2nc([C@@H]3CCCN3c3cc(N4CC[NH+](Cc5ccccc5)CC4)nc[nH+]3)[nH]c2cc1Cl ZINC000082154540 562740341 /nfs/dbraw/zinc/74/03/41/562740341.db2.gz RSWAXFJUHZPQHD-QHCPKHFHSA-N 2 2 508.457 5.323 1 0 KKAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082154347 562740344 /nfs/dbraw/zinc/74/03/44/562740344.db2.gz VBORSLMYETXNTJ-GDLZYMKVSA-N 2 2 675.057 5.456 1 0 KKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1c(Sc2c[nH+]c3cc(Cl)ccc3c2N[C@@H](C)CCC[NH+](CC)CC)c[nH+]c2cc(Cl)ccc21 ZINC000082186221 562742393 /nfs/dbraw/zinc/74/23/93/562742393.db2.gz DOYHRGZIVRVEAC-WMPKNSHKSA-N 4 2 669.811 10.086 1 0 KKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1c(Sc2c[nH+]c3cc(Cl)ccc3c2N[C@H](C)CCC[NH+](CC)CC)c[nH+]c2cc(Cl)ccc21 ZINC000082186227 562742400 /nfs/dbraw/zinc/74/24/00/562742400.db2.gz DOYHRGZIVRVEAC-CLJLJLNGSA-N 4 2 669.811 10.086 1 0 KKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1c(Sc2c[nH+]c3cc(Cl)ccc3c2N[C@H](C)CCC[NH+](CC)CC)cnc2cc(Cl)ccc21 ZINC000082186227 562742401 /nfs/dbraw/zinc/74/24/01/562742401.db2.gz DOYHRGZIVRVEAC-CLJLJLNGSA-N 3 2 669.811 10.086 1 0 KKAFLP COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)NCC[NH+]4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095614773 562786864 /nfs/dbraw/zinc/78/68/64/562786864.db2.gz VDMSRLSDKANFQZ-KDXMTYKHSA-N 2 2 753.768 5.675 1 0 KKAFLP COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)NCC[NH+]4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095614772 562786870 /nfs/dbraw/zinc/78/68/70/562786870.db2.gz VDMSRLSDKANFQZ-LDLOPFEMSA-N 2 2 753.768 5.675 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670078 562788258 /nfs/dbraw/zinc/78/82/58/562788258.db2.gz IWYTUWMBDRWLJL-SQHAQQRYSA-N 2 2 502.577 6.019 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670078 562788259 /nfs/dbraw/zinc/78/82/59/562788259.db2.gz IWYTUWMBDRWLJL-SQHAQQRYSA-N 2 2 502.577 6.019 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000095696498 562788503 /nfs/dbraw/zinc/78/85/03/562788503.db2.gz UCKXYPLEJSZYDX-UHFFFAOYSA-N 2 2 587.067 7.223 1 0 KKAFLP O=C(CN1CC[NH+](CCCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271825 562793863 /nfs/dbraw/zinc/79/38/63/562793863.db2.gz HUQDZMOHVVJHEF-UHFFFAOYSA-N 2 2 644.816 7.083 1 0 KKAFLP COc1cc(=O)oc2cc(OCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271833 562793948 /nfs/dbraw/zinc/79/39/48/562793948.db2.gz IUOBAYQUFIRIFW-UHFFFAOYSA-N 2 2 584.717 5.034 1 0 KKAFLP OC1(c2ccccc2C[NH+]2CCOCC2)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318629 562796531 /nfs/dbraw/zinc/79/65/31/562796531.db2.gz RHZKHGJODXMAPM-UHFFFAOYSA-N 2 2 511.493 5.899 1 0 KKAFLP NC(=[NH2+])c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000098209203 562806035 /nfs/dbraw/zinc/80/60/35/562806035.db2.gz YVYNZHGMLLXWDD-UHFFFAOYSA-N 2 2 552.616 5.188 1 0 in-vitro KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccc(F)cc2)C1 ZINC000100076274 562806606 /nfs/dbraw/zinc/80/66/06/562806606.db2.gz JXESXABALCUOOS-RLPLKTQASA-N 2 2 572.729 5.840 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccc(F)cc2)C1 ZINC000100076274 562806607 /nfs/dbraw/zinc/80/66/07/562806607.db2.gz JXESXABALCUOOS-RLPLKTQASA-N 2 2 572.729 5.840 1 0 KKAFLP CCCC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076168 562806632 /nfs/dbraw/zinc/80/66/32/562806632.db2.gz PVCYWAHGRMMCRN-CSSKISATSA-N 2 2 582.793 6.481 1 0 KKAFLP CCCC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076168 562806633 /nfs/dbraw/zinc/80/66/33/562806633.db2.gz PVCYWAHGRMMCRN-CSSKISATSA-N 2 2 582.793 6.481 1 0 KKAFLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193599 562809891 /nfs/dbraw/zinc/80/98/91/562809891.db2.gz RRFIHKNSVPKCRY-AXMAENODSA-N 2 2 594.775 6.990 1 0 KKAFLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193599 562809892 /nfs/dbraw/zinc/80/98/92/562809892.db2.gz RRFIHKNSVPKCRY-AXMAENODSA-N 2 2 594.775 6.990 1 0 KKAFLP C[N@@H+]1CCC[C@@H]1CC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696119 562811765 /nfs/dbraw/zinc/81/17/65/562811765.db2.gz JKABQKSBPGSKAQ-JOCHJYFZSA-N 2 2 596.753 5.677 1 0 KKAFLP C[N@H+]1CCC[C@@H]1CC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696119 562811766 /nfs/dbraw/zinc/81/17/66/562811766.db2.gz JKABQKSBPGSKAQ-JOCHJYFZSA-N 2 2 596.753 5.677 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261474 562821382 /nfs/dbraw/zinc/82/13/82/562821382.db2.gz LAMYCJIXYOSQFI-NDEPHWFRSA-N 2 2 592.584 5.882 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261474 562821383 /nfs/dbraw/zinc/82/13/83/562821383.db2.gz LAMYCJIXYOSQFI-NDEPHWFRSA-N 2 2 592.584 5.882 1 0 KKAFLP CC[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266145 562822236 /nfs/dbraw/zinc/82/22/36/562822236.db2.gz CSDQKSDODZFEOX-NRFANRHFSA-N 2 2 517.480 5.483 1 0 KKAFLP CC[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266145 562822237 /nfs/dbraw/zinc/82/22/37/562822237.db2.gz CSDQKSDODZFEOX-NRFANRHFSA-N 2 2 517.480 5.483 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114034837 562826960 /nfs/dbraw/zinc/82/69/60/562826960.db2.gz BVSKHIIWHAYTKD-IBGZPJMESA-N 2 2 545.043 5.323 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@H]2CC[NH2+]C2)nc1)C1CC1 ZINC000114034035 562826975 /nfs/dbraw/zinc/82/69/75/562826975.db2.gz PAAMSHAMIHCIMN-IBGZPJMESA-N 2 2 517.992 5.905 1 0 KKAFLP C[NH+](C)CCOc1ccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cn1 ZINC000114035725 562827006 /nfs/dbraw/zinc/82/70/06/562827006.db2.gz TYKCYPCKPKEYLK-UHFFFAOYSA-N 2 2 520.992 6.072 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(C[NH+](C)C)cn4)c3c2)cc(Cl)c1O ZINC000114036197 562827025 /nfs/dbraw/zinc/82/70/25/562827025.db2.gz PJXKNGRBOTXYTC-UHFFFAOYSA-N 2 2 503.002 6.062 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC000114037514 562827172 /nfs/dbraw/zinc/82/71/72/562827172.db2.gz CVTUKVIQVMHDFD-GOSISDBHSA-N 2 2 518.017 5.538 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([N@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789035 562830597 /nfs/dbraw/zinc/83/05/97/562830597.db2.gz JHUAOSPKENTLLI-DEILBTJESA-N 2 2 618.262 8.070 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789035 562830598 /nfs/dbraw/zinc/83/05/98/562830598.db2.gz JHUAOSPKENTLLI-DEILBTJESA-N 2 2 618.262 8.070 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(Cl)cc2F)CC1 ZINC000150537926 562844036 /nfs/dbraw/zinc/84/40/36/562844036.db2.gz JYFBREXHDMGSRL-KMCMVZAKSA-N 2 2 692.301 7.377 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(Cl)cc2F)CC1 ZINC000150537926 562844037 /nfs/dbraw/zinc/84/40/37/562844037.db2.gz JYFBREXHDMGSRL-KMCMVZAKSA-N 2 2 692.301 7.377 1 0 KKAFLP CCCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552313 562844618 /nfs/dbraw/zinc/84/46/18/562844618.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 3 2 653.862 7.872 1 0 KKAFLP CCCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552313 562844619 /nfs/dbraw/zinc/84/46/19/562844619.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 3 2 653.862 7.872 1 0 KKAFLP CCCCNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552316 562844630 /nfs/dbraw/zinc/84/46/30/562844630.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 3 2 653.862 7.872 1 0 KKAFLP CCCCNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552316 562844631 /nfs/dbraw/zinc/84/46/31/562844631.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 3 2 653.862 7.872 1 0 KKAFLP C[NH+]1CCN(C[C@@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@H](O)CN4CC[NH+](C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561651 562844891 /nfs/dbraw/zinc/84/48/91/562844891.db2.gz GGMPSENEASCRJD-FGZHOGPDSA-N 2 2 964.273 6.122 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1)c1ccccc1 ZINC000150607168 562848062 /nfs/dbraw/zinc/84/80/62/562848062.db2.gz DCMBXLJDQLEHDJ-JLODQNMCSA-N 2 2 726.922 6.322 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3cccc(F)c3)n2)CC1 ZINC000169322267 562856802 /nfs/dbraw/zinc/85/68/02/562856802.db2.gz FTKXXFBDTDYDJP-UHFFFAOYSA-N 2 2 556.049 6.195 1 0 KKAFLP O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000169353018 562863324 /nfs/dbraw/zinc/86/33/24/562863324.db2.gz JRWMGKBZYBCNSS-QNGWXLTQSA-N 2 2 691.251 7.894 1 0 KKAFLP C[C@@H]1CN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)C[C@H](C)O1 ZINC000169697647 562866490 /nfs/dbraw/zinc/86/64/90/562866490.db2.gz LZWGJFSNUBMYRN-SZPZYZBQSA-N 2 2 545.691 5.683 1 0 KKAFLP CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697639 562866508 /nfs/dbraw/zinc/86/65/08/562866508.db2.gz RDJQWBMPPFHDAB-UHFFFAOYSA-N 2 2 586.744 5.374 1 0 KKAFLP CC(C)(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697646 562866510 /nfs/dbraw/zinc/86/65/10/562866510.db2.gz IGHFMAADKBKBDC-UHFFFAOYSA-N 2 2 600.771 5.764 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCOCC5)CC4)c3c2)cc(Cl)c1O ZINC000203798334 562874133 /nfs/dbraw/zinc/87/41/33/562874133.db2.gz ZVYDGTFRONPMDP-UHFFFAOYSA-N 2 2 536.072 5.411 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(Cn5cc[nH+]c5)cc4)c3c2)cc(Cl)c1O ZINC000203988768 562874284 /nfs/dbraw/zinc/87/42/84/562874284.db2.gz HFIRJBLPXDARCG-UHFFFAOYSA-N 2 2 525.008 6.851 1 0 KKAFLP CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2)c(O)cc1O ZINC000299837035 562887364 /nfs/dbraw/zinc/88/73/64/562887364.db2.gz PATGSUWTMLNUFV-UHFFFAOYSA-N 2 2 518.658 5.418 1 0 KKAFLP CCn1c2ccccc2c2cc(/C=C/c3cc(N4CC[NH+](CCC[NH+](C)C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844573 562889362 /nfs/dbraw/zinc/88/93/62/562889362.db2.gz GYCRPGHZRBPWHR-UHFFFAOYSA-N 3 2 532.756 6.036 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4cc[nH+]c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089917 562897487 /nfs/dbraw/zinc/89/74/87/562897487.db2.gz MVRJDNOPXYKDMF-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4cc[nH+]c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473089917 562897488 /nfs/dbraw/zinc/89/74/88/562897488.db2.gz MVRJDNOPXYKDMF-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473197679 562903706 /nfs/dbraw/zinc/90/37/06/562903706.db2.gz CNHRQIIVLQUPFU-MHPIHPPYSA-N 2 2 541.479 5.130 1 0 KKAFLP CC(C)(C)C(=O)Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653718336 562908649 /nfs/dbraw/zinc/90/86/49/562908649.db2.gz FYTRQWAEXAEGFI-UHFFFAOYSA-N 2 2 598.673 7.029 1 0 KKAFLP CNC(=O)c1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653760889 562911316 /nfs/dbraw/zinc/91/13/16/562911316.db2.gz JJXSRKVPWYBNSN-UHFFFAOYSA-N 2 2 556.592 5.404 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)[N@H+](C2)CC3 ZINC000085541007 565139175 /nfs/dbraw/zinc/13/91/75/565139175.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 2 2 652.788 7.519 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)[N@@H+](C2)CC3 ZINC000085541007 565139180 /nfs/dbraw/zinc/13/91/80/565139180.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 2 2 652.788 7.519 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)[NH+](C2)CC3 ZINC000085541007 565139182 /nfs/dbraw/zinc/13/91/82/565139182.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 2 2 652.788 7.519 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)[NH+](C2)CC3 ZINC000085541007 565139187 /nfs/dbraw/zinc/13/91/87/565139187.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 2 2 652.788 7.519 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000095098960 565172179 /nfs/dbraw/zinc/17/21/79/565172179.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000095098960 565172180 /nfs/dbraw/zinc/17/21/80/565172180.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098960 565172181 /nfs/dbraw/zinc/17/21/81/565172181.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098960 565172182 /nfs/dbraw/zinc/17/21/82/565172182.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP 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 561702949 /nfs/dbraw/zinc/70/29/49/561702949.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 2 2 590.553 5.981 1 0 KKAFLP 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 561702950 /nfs/dbraw/zinc/70/29/50/561702950.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 2 2 590.553 5.981 1 0 KKAFLP COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716052 561702959 /nfs/dbraw/zinc/70/29/59/561702959.db2.gz NRUKDYLILMOFJD-IBGZPJMESA-N 2 2 561.038 7.056 1 0 KKAFLP COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716052 561702960 /nfs/dbraw/zinc/70/29/60/561702960.db2.gz NRUKDYLILMOFJD-IBGZPJMESA-N 2 2 561.038 7.056 1 0 KKAFLP COc1cc2nccc(Oc3ccc4[nH]c(Nc5ccc(Cl)c(CN6CC[NH+](C)CC6)c5)[nH+]c4c3)c2cc1OC ZINC000023359459 561762088 /nfs/dbraw/zinc/76/20/88/561762088.db2.gz GZXULZRBYRVYLK-UHFFFAOYSA-N 2 2 559.070 6.065 1 0 KKAFLP COC(=O)[C@H](CCCC[NH3+])[NH+](C/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1)C/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000026144038 561767002 /nfs/dbraw/zinc/76/70/02/561767002.db2.gz CLPICHLYAAHELU-COWXECPQSA-N 2 2 688.953 10.565 1 0 KKAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260812 561775389 /nfs/dbraw/zinc/77/53/89/561775389.db2.gz LJWODJDNHCOTQT-UHFFFAOYSA-N 2 2 657.687 5.532 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CC[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026674925 561813798 /nfs/dbraw/zinc/81/37/98/561813798.db2.gz OLDPWFNVRMMJAT-UHFFFAOYSA-N 3 2 564.130 5.975 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026719274 561814786 /nfs/dbraw/zinc/81/47/86/561814786.db2.gz SDNQSSKDJAHSSB-UHFFFAOYSA-N 3 2 659.278 7.963 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719274 561814788 /nfs/dbraw/zinc/81/47/88/561814788.db2.gz SDNQSSKDJAHSSB-UHFFFAOYSA-N 2 2 659.278 7.963 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+]C[C@@H]3C)c2c1 ZINC000026726693 561816078 /nfs/dbraw/zinc/81/60/78/561816078.db2.gz QJQOECNRYHAQBH-CABCVRRESA-N 2 2 501.077 5.399 1 0 KKAFLP CCCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)cc[nH+]1 ZINC000026984878 561831718 /nfs/dbraw/zinc/83/17/18/561831718.db2.gz LOLZTTIEADDGGY-LGEVGLALSA-N 2 2 604.883 8.414 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026995139 561833074 /nfs/dbraw/zinc/83/30/74/561833074.db2.gz ZXEQHNWICDWNLO-UMYWFGJBSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026995139 561833075 /nfs/dbraw/zinc/83/30/75/561833075.db2.gz ZXEQHNWICDWNLO-UMYWFGJBSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026995134 561833086 /nfs/dbraw/zinc/83/30/86/561833086.db2.gz ZXEQHNWICDWNLO-NOWQQFBNSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1cccc2ccccc21 ZINC000026995134 561833088 /nfs/dbraw/zinc/83/30/88/561833088.db2.gz ZXEQHNWICDWNLO-NOWQQFBNSA-N 2 2 707.941 6.224 1 0 KKAFLP CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105035 561839841 /nfs/dbraw/zinc/83/98/41/561839841.db2.gz PCDOWAYMDIDVIY-LJAQVGFWSA-N 2 2 665.279 5.030 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCCc2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000027424523 561858142 /nfs/dbraw/zinc/85/81/42/561858142.db2.gz NKEMSECOEZGATB-UHFFFAOYSA-N 2 2 599.175 7.903 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517876 561861589 /nfs/dbraw/zinc/86/15/89/561861589.db2.gz OVNDNIJQJAWJBW-DGPALRBDSA-N 2 2 595.672 7.339 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1cccc2ccccc21)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027518043 561861831 /nfs/dbraw/zinc/86/18/31/561861831.db2.gz UEXAKWLHQITACD-GDLZYMKVSA-N 2 2 591.640 7.228 1 0 KKAFLP Fc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)Cc2ccc(F)cc2)cc1 ZINC000027636767 561874617 /nfs/dbraw/zinc/87/46/17/561874617.db2.gz IUUONQCDOYTTHZ-UHFFFAOYSA-N 3 2 578.151 6.679 1 0 KKAFLP COc1cc2c(cc1OCC[NH+](CCO)CCO)[nH+]ccc2Oc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000027990674 561893088 /nfs/dbraw/zinc/89/30/88/561893088.db2.gz LTMSBTWMKOQROE-UHFFFAOYSA-N 2 2 545.680 5.742 1 0 KKAFLP COc1cc(Cc2c3ccc(N)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCOCC1 ZINC000028225159 561907793 /nfs/dbraw/zinc/90/77/93/561907793.db2.gz VPZXIEQNEJINFY-UHFFFAOYSA-N 2 2 557.760 6.057 1 0 KKAFLP Cc1ccc(NC(=[NH2+])Nc2ccc(-c3ccc(-c4ccc(NC(=[NH2+])Nc5ccc(C)cc5)cc4)s3)cc2)cc1 ZINC000028707687 561950058 /nfs/dbraw/zinc/95/00/58/561950058.db2.gz QTJRLGKNYJCBEP-UHFFFAOYSA-N 2 2 530.701 8.616 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(OC(F)(F)F)c1 ZINC000028714039 561954493 /nfs/dbraw/zinc/95/44/93/561954493.db2.gz HRIRMMAVRJBHLX-UHFFFAOYSA-N 2 2 550.025 5.027 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(OC(F)(F)F)c1 ZINC000028714039 561954495 /nfs/dbraw/zinc/95/44/95/561954495.db2.gz HRIRMMAVRJBHLX-UHFFFAOYSA-N 2 2 550.025 5.027 1 0 KKAFLP C[C@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000028824131 561969033 /nfs/dbraw/zinc/96/90/33/561969033.db2.gz ZMFVDWKCDJOJTP-OAQYLSRUSA-N 2 2 518.061 5.187 1 0 KKAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])[NH2+]CCCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887232 561977821 /nfs/dbraw/zinc/97/78/21/561977821.db2.gz VQUKMVMBKDTJKD-MHZLTWQESA-N 2 2 581.548 5.716 1 0 KKAFLP Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000028961575 561984352 /nfs/dbraw/zinc/98/43/52/561984352.db2.gz SJGUSHZGMIQWAW-UHFFFAOYSA-N 2 2 588.862 6.283 1 0 KKAFLP CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5ncc6c5nc[nH+]c6N)CC4)cc3)nc2n1 ZINC000029037319 561988448 /nfs/dbraw/zinc/98/84/48/561988448.db2.gz MAMNMVNADHVXSH-UHFFFAOYSA-N 2 2 559.703 5.640 1 0 KKAFLP O=C(CCCO)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029396813 562018700 /nfs/dbraw/zinc/01/87/00/562018700.db2.gz PLXWZXXKIRQBQS-UHFFFAOYSA-N 2 2 538.479 5.018 1 0 KKAFLP O=C(CCCOCc1ccccc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403256 562020194 /nfs/dbraw/zinc/02/01/94/562020194.db2.gz SFKBJBVNYNJFSK-UHFFFAOYSA-N 2 2 628.604 7.242 1 0 KKAFLP C[NH+](CCCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1)CCCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000029403999 562020255 /nfs/dbraw/zinc/02/02/55/562020255.db2.gz OZYKZHTVCKMZAG-UHFFFAOYSA-N 3 2 515.276 6.289 1 0 KKAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]c[nH+]1 ZINC000029551546 562031159 /nfs/dbraw/zinc/03/11/59/562031159.db2.gz IKTFQNGZGUOWLG-GFRPZHATSA-N 2 2 668.835 6.077 1 0 KKAFLP [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH+]c[nH]1 ZINC000029551546 562031160 /nfs/dbraw/zinc/03/11/60/562031160.db2.gz IKTFQNGZGUOWLG-GFRPZHATSA-N 2 2 668.835 6.077 1 0 KKAFLP COc1cc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000029568268 562034922 /nfs/dbraw/zinc/03/49/22/562034922.db2.gz XJPBQLMSTXKBKW-UHFFFAOYSA-N 2 2 518.633 5.369 1 0 KKAFLP CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037379 /nfs/dbraw/zinc/03/73/79/562037379.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 2 2 500.687 5.005 1 0 KKAFLP CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037381 /nfs/dbraw/zinc/03/73/81/562037381.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 2 2 500.687 5.005 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000035922968 562045773 /nfs/dbraw/zinc/04/57/73/562045773.db2.gz FGDJVYHIWKDZEM-UHFFFAOYSA-N 2 2 502.062 6.319 1 0 KKAFLP [NH3+][C@H](CC[NH+]1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040568416 562078113 /nfs/dbraw/zinc/07/81/13/562078113.db2.gz KYSQZRXWHAPYOE-JOCHJYFZSA-N 2 2 511.510 5.118 1 0 KKAFLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043062447 562645214 /nfs/dbraw/zinc/64/52/14/562645214.db2.gz PFTYUXPUTSSSAS-HHHXNRCGSA-N 2 2 536.602 5.398 1 0 KKAFLP O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3[nH]c4ccc(O)cc4[nH+]3)CC2)CC1 ZINC000045195549 562658873 /nfs/dbraw/zinc/65/88/73/562658873.db2.gz JUMIFVCQKIPSBN-ONNFQVAWSA-N 2 2 527.496 6.143 1 0 KKAFLP Cc1cc(-c2[nH]cc[nH+]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045302300 562660604 /nfs/dbraw/zinc/66/06/04/562660604.db2.gz CJHQWWQYKXGFQA-UHFFFAOYSA-N 2 2 504.634 5.611 1 0 KKAFLP Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2[nH+]1 ZINC000045303119 562660802 /nfs/dbraw/zinc/66/08/02/562660802.db2.gz ZGGCVODMJJEPIW-ONNFQVAWSA-N 2 2 526.512 6.020 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368836 562662214 /nfs/dbraw/zinc/66/22/14/562662214.db2.gz MCTLLLGXTWSHKF-UHFFFAOYSA-N 3 2 520.747 5.325 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368836 562662215 /nfs/dbraw/zinc/66/22/15/562662215.db2.gz MCTLLLGXTWSHKF-UHFFFAOYSA-N 3 2 520.747 5.325 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(I)c(O[C@H]3CC[NH+](C)C3)c2)C1 ZINC000049605256 562665555 /nfs/dbraw/zinc/66/55/55/562665555.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(I)c(O[C@H]3CC[NH+](C)C3)c2)C1 ZINC000049605256 562665556 /nfs/dbraw/zinc/66/55/56/562665556.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(I)c(O[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000049605256 562665557 /nfs/dbraw/zinc/66/55/57/562665557.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(I)c(O[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000049605256 562665558 /nfs/dbraw/zinc/66/55/58/562665558.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 2 2 674.649 5.124 1 0 KKAFLP O=C(N[C@H]1C[C@H]1c1ccccc1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605737 562666316 /nfs/dbraw/zinc/66/63/16/562666316.db2.gz UPECNCZLZOVUOM-ACHIHNKUSA-N 2 2 576.770 6.454 1 0 KKAFLP COc1cc(C(=O)NCc2nn(CC[NH+]3CCC([NH+]4CCCC4)CC3)cc2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000049626363 562667178 /nfs/dbraw/zinc/66/71/78/562667178.db2.gz WWDMWBAMZYJJNC-UHFFFAOYSA-N 2 2 616.590 5.373 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000049626467 562667221 /nfs/dbraw/zinc/66/72/21/562667221.db2.gz RAERQTJTDNYBEQ-IQHLECGASA-N 2 2 576.785 7.663 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000049626467 562667222 /nfs/dbraw/zinc/66/72/22/562667222.db2.gz RAERQTJTDNYBEQ-IQHLECGASA-N 2 2 576.785 7.663 1 0 KKAFLP Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(NC3CC[NH2+]CC3)[nH+]2)cc1 ZINC000049626839 562667390 /nfs/dbraw/zinc/66/73/90/562667390.db2.gz LWBGDATWOOXYRK-UHFFFAOYSA-N 2 2 563.628 5.694 1 0 KKAFLP Oc1ccc(CCNc2nc(NC3CC[NH2+]CC3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)cc1 ZINC000049626839 562667391 /nfs/dbraw/zinc/66/73/91/562667391.db2.gz LWBGDATWOOXYRK-UHFFFAOYSA-N 2 2 563.628 5.694 1 0 KKAFLP Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]c(NC3CC[NH2+]CC3)n2)cc1 ZINC000049626839 562667392 /nfs/dbraw/zinc/66/73/92/562667392.db2.gz LWBGDATWOOXYRK-UHFFFAOYSA-N 2 2 563.628 5.694 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N1CCC([NH+]3CCCC3)CC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049670131 562668215 /nfs/dbraw/zinc/66/82/15/562668215.db2.gz DTQNBUHVSZINJH-UHFFFAOYSA-N 3 2 617.842 6.466 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3cc(Cl)ccn3)CC2)cc1 ZINC000049677747 562668333 /nfs/dbraw/zinc/66/83/33/562668333.db2.gz YYLLNOJXOOZWPA-UHFFFAOYSA-N 2 2 544.103 5.515 1 0 KKAFLP Cc1ccc(C(OC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COC(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000049694990 562670094 /nfs/dbraw/zinc/67/00/94/562670094.db2.gz QKABGOLJDASWHS-ZPGRZCPFSA-N 2 2 596.812 5.733 1 0 KKAFLP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)cc1 ZINC000049710747 562671820 /nfs/dbraw/zinc/67/18/20/562671820.db2.gz UCTRKROXXJHOIG-UHFFFAOYSA-N 2 2 593.654 5.208 1 0 KKAFLP Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049723312 562673229 /nfs/dbraw/zinc/67/32/29/562673229.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 3 2 568.725 6.946 1 0 KKAFLP Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6[nH+]ccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049723312 562673230 /nfs/dbraw/zinc/67/32/30/562673230.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 3 2 568.725 6.946 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746758 562674590 /nfs/dbraw/zinc/67/45/90/562674590.db2.gz SJCQMSFAOMNDNV-UHFFFAOYSA-N 2 2 662.945 7.209 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746758 562674591 /nfs/dbraw/zinc/67/45/91/562674591.db2.gz SJCQMSFAOMNDNV-UHFFFAOYSA-N 2 2 662.945 7.209 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCC[C@H]2CCC[NH2+]2)ncn1 ZINC000049775263 562679003 /nfs/dbraw/zinc/67/90/03/562679003.db2.gz PTTXMHGPBHSAPT-HSZRJFAPSA-N 2 2 600.649 6.693 1 0 KKAFLP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CC[NH+]4CCC([NH+]5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775721 562679220 /nfs/dbraw/zinc/67/92/20/562679220.db2.gz JSQUFUABHMZJIE-LJAQVGFWSA-N 2 2 602.845 5.167 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NC2CC[NH+](C)CC2)ncn1 ZINC000049777975 562680753 /nfs/dbraw/zinc/68/07/53/562680753.db2.gz QQVLIPDYPZXRET-UHFFFAOYSA-N 2 2 600.649 6.645 1 0 KKAFLP CCC[NH+](CCC)CCCN(CCC[NH+](CCC)CCC)c1cc(C)[nH+]c(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049778093 562680880 /nfs/dbraw/zinc/68/08/80/562680880.db2.gz VMJCIOVNPAPLBD-UHFFFAOYSA-N 3 2 611.717 8.275 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792789 562684468 /nfs/dbraw/zinc/68/44/68/562684468.db2.gz DNCGWEOXZZUXOR-FZNHDDJXSA-N 2 2 542.723 6.542 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792789 562684469 /nfs/dbraw/zinc/68/44/69/562684469.db2.gz DNCGWEOXZZUXOR-FZNHDDJXSA-N 2 2 542.723 6.542 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792793 562684492 /nfs/dbraw/zinc/68/44/92/562684492.db2.gz DPSGNUCYQIFAFM-AWSIMMLFSA-N 2 2 668.966 10.053 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792793 562684493 /nfs/dbraw/zinc/68/44/93/562684493.db2.gz DPSGNUCYQIFAFM-AWSIMMLFSA-N 2 2 668.966 10.053 1 0 KKAFLP O=C(C[NH+]1CCCC1)Nc1cc(NC(=O)Nc2cc(NC(=O)C[NH+]3CCCC3)cc(C(=O)Nc3ccccc3)c2)cc(C(=O)Nc2ccccc2)c1 ZINC000049833473 562687821 /nfs/dbraw/zinc/68/78/21/562687821.db2.gz ZYXOVFWREPRABN-UHFFFAOYSA-N 2 2 702.816 5.904 1 0 KKAFLP Cc1ccc(NC(=O)c2cc(OC3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049916748 562693517 /nfs/dbraw/zinc/69/35/17/562693517.db2.gz INIPJCMUHKXHJQ-UHFFFAOYSA-N 2 2 616.648 6.194 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917592 562693614 /nfs/dbraw/zinc/69/36/14/562693614.db2.gz ICIDSHHZAPVAKX-MSEJLTFDSA-N 2 2 637.756 5.306 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5cccc(OCc6ccccc6)c5[nH]4)CC3)c2c1 ZINC000049917919 562694121 /nfs/dbraw/zinc/69/41/21/562694121.db2.gz CKGLAZIGHBFHGP-HKBQPEDESA-N 2 2 536.676 5.591 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CC[NH+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696091 /nfs/dbraw/zinc/69/60/91/562696091.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CC[NH+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696092 /nfs/dbraw/zinc/69/60/92/562696092.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(O[C@H]3CC[N@H+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696093 /nfs/dbraw/zinc/69/60/93/562696093.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 2 2 583.198 5.173 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(O[C@H]3CC[N@@H+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696094 /nfs/dbraw/zinc/69/60/94/562696094.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 2 2 583.198 5.173 1 0 KKAFLP COc1cc2cc[nH+]c3c2c(c1O)Oc1cc2c(cc1OC)CC[N@@H+](C)[C@@H]2Cc1ccc(O)c(c1)Oc1ccc(cc1)C3 ZINC000053230921 562696671 /nfs/dbraw/zinc/69/66/71/562696671.db2.gz PWVLBPQSZKHZHU-HHHXNRCGSA-N 2 2 576.649 6.924 1 0 KKAFLP COc1cc2cc[nH+]c3c2c(c1O)Oc1cc2c(cc1OC)CC[N@H+](C)[C@@H]2Cc1ccc(O)c(c1)Oc1ccc(cc1)C3 ZINC000053230921 562696672 /nfs/dbraw/zinc/69/66/72/562696672.db2.gz PWVLBPQSZKHZHU-HHHXNRCGSA-N 2 2 576.649 6.924 1 0 KKAFLP CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(C[NH+](C)C)c(C)c6c5)c4)CC3)CC2)CC1 ZINC000058548530 562699112 /nfs/dbraw/zinc/69/91/12/562699112.db2.gz ZKFBFGQUYFJGTL-UHFFFAOYSA-N 2 2 689.905 5.274 1 0 KKAFLP CC(C)[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000064549535 562708108 /nfs/dbraw/zinc/70/81/08/562708108.db2.gz HKJUUPKKOAGVDB-UHFFFAOYSA-N 3 2 586.144 6.123 1 0 KKAFLP Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000066111668 562711843 /nfs/dbraw/zinc/71/18/43/562711843.db2.gz QXISZOUDNRLEKT-UHFFFAOYSA-N 2 2 596.139 6.747 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128744 562726283 /nfs/dbraw/zinc/72/62/83/562726283.db2.gz KNCJAHMCOMXAGP-ULJKERAFSA-N 2 2 680.702 6.731 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128744 562726284 /nfs/dbraw/zinc/72/62/84/562726284.db2.gz KNCJAHMCOMXAGP-ULJKERAFSA-N 2 2 680.702 6.731 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(C(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128745 562726293 /nfs/dbraw/zinc/72/62/93/562726293.db2.gz YEIOSWIOUHGOGK-BCFRNYDHSA-N 2 2 688.338 7.201 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(C(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128745 562726294 /nfs/dbraw/zinc/72/62/94/562726294.db2.gz YEIOSWIOUHGOGK-BCFRNYDHSA-N 2 2 688.338 7.201 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000072128775 562726324 /nfs/dbraw/zinc/72/63/24/562726324.db2.gz VYZQOIFECDLGPS-FITHBNAOSA-N 2 2 647.792 5.703 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000072128775 562726325 /nfs/dbraw/zinc/72/63/25/562726325.db2.gz VYZQOIFECDLGPS-FITHBNAOSA-N 2 2 647.792 5.703 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)CC1 ZINC000072128777 562726360 /nfs/dbraw/zinc/72/63/60/562726360.db2.gz IARIPQCAAVOTIF-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)CC1 ZINC000072128777 562726361 /nfs/dbraw/zinc/72/63/61/562726361.db2.gz IARIPQCAAVOTIF-ZVBBVAIHSA-N 2 2 698.692 6.870 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726694 /nfs/dbraw/zinc/72/66/94/562726694.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 2 2 724.318 7.395 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726695 /nfs/dbraw/zinc/72/66/95/562726695.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 2 2 724.318 7.395 1 0 KKAFLP C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3[nH+]ccn32)CC1)[NH+]1CCCC1 ZINC000072139958 562729128 /nfs/dbraw/zinc/72/91/28/562729128.db2.gz DIVUWJFWEQMVAY-RCRUUEGKSA-N 2 2 503.090 5.812 1 0 KKAFLP COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147609 562729736 /nfs/dbraw/zinc/72/97/36/562729736.db2.gz AFFAQTIQURLOEQ-NLDZOOGBSA-N 2 2 703.111 6.105 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)cccc1Cl ZINC000072183321 562732902 /nfs/dbraw/zinc/73/29/02/562732902.db2.gz LVGDISGNKYDSAM-AUSIDOKSSA-N 2 2 539.507 6.478 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]CC(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140555 562739491 /nfs/dbraw/zinc/73/94/91/562739491.db2.gz HPJMPIDAOUPQKP-MUUNZHRXSA-N 2 2 711.037 5.701 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082155803 562740564 /nfs/dbraw/zinc/74/05/64/562740564.db2.gz YFKPCGSURNAABL-JGCGQSQUSA-N 2 2 621.609 5.753 1 0 KKAFLP CC[NH+](CC)CCC[C@H](C)Nc1c(Sc2c[nH+]c3cc(Cl)ccc3c2N[C@@H](C)CCC[NH+](CC)CC)cnc2cc(Cl)ccc21 ZINC000082186225 562742425 /nfs/dbraw/zinc/74/24/25/562742425.db2.gz DOYHRGZIVRVEAC-UIOOFZCWSA-N 3 2 669.811 10.086 1 0 KKAFLP CC[NH+](CC)CCC[C@H](C)Nc1c(Sc2c[nH+]c3cc(Cl)ccc3c2N[C@@H](C)CCC[NH+](CC)CC)c[nH+]c2cc(Cl)ccc21 ZINC000082186225 562742424 /nfs/dbraw/zinc/74/24/24/562742424.db2.gz DOYHRGZIVRVEAC-UIOOFZCWSA-N 4 2 669.811 10.086 1 0 KKAFLP Clc1ccc2c(NCC[NH2+]Cc3ccc(-c4ccc(-c5ccc(C[NH2+]CCNc6cc[nH+]c7cc(Cl)ccc67)cc5)s4)cc3)cc[nH+]c2c1 ZINC000084670781 562748373 /nfs/dbraw/zinc/74/83/73/562748373.db2.gz TYVDEZVTBOTKKY-UHFFFAOYSA-N 4 2 703.743 9.889 1 0 KKAFLP O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540083 562755512 /nfs/dbraw/zinc/75/55/12/562755512.db2.gz BHZYDNYEQNZRJY-FPGXKDDPSA-N 2 2 746.997 5.365 1 0 KKAFLP O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540083 562755513 /nfs/dbraw/zinc/75/55/13/562755513.db2.gz BHZYDNYEQNZRJY-FPGXKDDPSA-N 2 2 746.997 5.365 1 0 KKAFLP Clc1ccc2c(NCCCCC[NH2+]Cc3ccc(-c4ccc(-c5ccc(C[NH2+]CCCCCNc6cc[nH+]c7cc(Cl)ccc67)cc5)s4)cc3)cc[nH+]c2c1 ZINC000095551673 562760395 /nfs/dbraw/zinc/76/03/95/562760395.db2.gz AQGPGQQOQJXOHE-UHFFFAOYSA-N 4 2 787.905 12.229 1 0 KKAFLP CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CN(c4cc[nH+]cc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572686 562769482 /nfs/dbraw/zinc/76/94/82/562769482.db2.gz JBBICBSNEXRPNM-RBISFHTESA-N 2 2 524.662 5.003 1 0 KKAFLP CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CN(c4cc[nH+]cc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572686 562769483 /nfs/dbraw/zinc/76/94/83/562769483.db2.gz JBBICBSNEXRPNM-RBISFHTESA-N 2 2 524.662 5.003 1 0 KKAFLP CC[NH+](CC)CCn1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c[nH+]c1Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000095591164 562775511 /nfs/dbraw/zinc/77/55/11/562775511.db2.gz DPRSQULPXINYIP-UHFFFAOYSA-N 2 2 675.796 8.103 1 0 KKAFLP O=C(CN(N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000095610731 562784580 /nfs/dbraw/zinc/78/45/80/562784580.db2.gz XGWVIOHVJIXJHZ-FAIXQHPJSA-N 2 2 793.901 6.877 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000095696502 562788545 /nfs/dbraw/zinc/78/85/45/562788545.db2.gz GELGUSVOURHXII-UHFFFAOYSA-N 2 2 570.999 6.509 1 0 KKAFLP COc1cc(NS(=O)(=O)CCCCS(=O)(=O)Nc2ccc(Nc3cc[nH+]c4ccccc34)c(OC)c2)ccc1Nc1cc[nH+]c2ccccc12 ZINC000095831708 562789314 /nfs/dbraw/zinc/78/93/14/562789314.db2.gz KEJXSRKNJXYPIR-UHFFFAOYSA-N 2 2 712.854 7.251 1 0 KKAFLP CCS(=O)(=O)N1CC[NH+](Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318633 562796517 /nfs/dbraw/zinc/79/65/17/562796517.db2.gz RGOFVQWZORFHTD-UHFFFAOYSA-N 2 2 602.628 5.534 1 0 KKAFLP COc1cccc(C[NH+]2CCN(C[C@@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907751 562799192 /nfs/dbraw/zinc/79/91/92/562799192.db2.gz JIZBSLOZXTWCDC-QPJRMWCKSA-N 2 2 838.891 8.357 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 ZINC000100076281 562806590 /nfs/dbraw/zinc/80/65/90/562806590.db2.gz GRXLRILPVAQNOX-PKQPGRETSA-N 2 2 608.709 6.412 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 ZINC000100076281 562806591 /nfs/dbraw/zinc/80/65/91/562806591.db2.gz GRXLRILPVAQNOX-PKQPGRETSA-N 2 2 608.709 6.412 1 0 KKAFLP CC(C)N1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367540 562810423 /nfs/dbraw/zinc/81/04/23/562810423.db2.gz PAFOOYBINUNMGT-YHBQERECSA-N 2 2 586.144 6.123 1 0 KKAFLP CN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367559 562810445 /nfs/dbraw/zinc/81/04/45/562810445.db2.gz DLQXAWIVHRHOQT-MEMLXQNLSA-N 2 2 558.090 5.345 1 0 KKAFLP C[N@H+](C[C@@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745513 562849715 /nfs/dbraw/zinc/84/97/15/562849715.db2.gz PWIBKSRNGJCKTO-OAHLLOKOSA-N 2 2 679.093 6.792 1 0 KKAFLP C[N@@H+](C[C@@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745513 562849716 /nfs/dbraw/zinc/84/97/16/562849716.db2.gz PWIBKSRNGJCKTO-OAHLLOKOSA-N 2 2 679.093 6.792 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225791 562817776 /nfs/dbraw/zinc/81/77/76/562817776.db2.gz IJDZPNGINLWIJW-UUQNIDNHSA-N 2 2 556.776 6.181 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225791 562817777 /nfs/dbraw/zinc/81/77/77/562817777.db2.gz IJDZPNGINLWIJW-UUQNIDNHSA-N 2 2 556.776 6.181 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233189 562818450 /nfs/dbraw/zinc/81/84/50/562818450.db2.gz WFKINWNQILYNCH-WLNZHLEZSA-N 2 2 542.768 7.262 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233189 562818451 /nfs/dbraw/zinc/81/84/51/562818451.db2.gz WFKINWNQILYNCH-WLNZHLEZSA-N 2 2 542.768 7.262 1 0 KKAFLP CC(C)(C)n1nnnc1[C@@H]([NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 ZINC000103233852 562818536 /nfs/dbraw/zinc/81/85/36/562818536.db2.gz ODVZHJQDBJYXGP-NRFANRHFSA-N 2 2 504.853 5.728 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc3c(c2)NC(=O)C32CC[NH+](C)CC2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000103243216 562819646 /nfs/dbraw/zinc/81/96/46/562819646.db2.gz PIRWRQQYRXWTII-CQSZACIVSA-N 2 2 515.416 5.832 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc3c(c2)C2(CC[NH+](C)CC2)C(=O)N3)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000103243218 562819656 /nfs/dbraw/zinc/81/96/56/562819656.db2.gz YTLZVJCWUQHCKJ-CQSZACIVSA-N 2 2 515.416 5.832 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4cnc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114034835 562826954 /nfs/dbraw/zinc/82/69/54/562826954.db2.gz BVSKHIIWHAYTKD-LJQANCHMSA-N 2 2 545.043 5.323 1 0 KKAFLP [NH3+][C@@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114033800 562826984 /nfs/dbraw/zinc/82/69/84/562826984.db2.gz GSHUXKBVBPAPPF-QGZVFWFLSA-N 2 2 518.980 5.064 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC000114035120 562827010 /nfs/dbraw/zinc/82/70/10/562827010.db2.gz NZSZHFYWNIRTCK-IBGZPJMESA-N 2 2 532.019 6.295 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037137 562827177 /nfs/dbraw/zinc/82/71/77/562827177.db2.gz ZJPPYHGKOYJMCX-LJQANCHMSA-N 2 2 530.028 5.538 1 0 KKAFLP [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(F)c5)cc43)cn2)C1 ZINC000114037611 562827251 /nfs/dbraw/zinc/82/72/51/562827251.db2.gz RNDRXUOKCDOSTQ-LJQANCHMSA-N 2 2 515.564 5.544 1 0 KKAFLP C[NH2+][C@H]1CCCN(c2ccc(Nc3c(C(C)=O)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039263 562827385 /nfs/dbraw/zinc/82/73/85/562827385.db2.gz NBKZPCDCUOTJOH-FQEVSTJZSA-N 2 2 520.008 5.929 1 0 KKAFLP O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000146286911 562838447 /nfs/dbraw/zinc/83/84/47/562838447.db2.gz WDALFJYWTFDSRP-QNGWXLTQSA-N 2 2 638.816 7.102 1 0 KKAFLP O=C(CN(N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000150525723 562843767 /nfs/dbraw/zinc/84/37/67/562843767.db2.gz DLHLGXBLKOJKKI-FAIXQHPJSA-N 2 2 862.791 8.184 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150536942 562843985 /nfs/dbraw/zinc/84/39/85/562843985.db2.gz ZIMSQZUTUQQLNQ-DYYYKTGISA-N 2 2 653.893 6.478 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150536942 562843986 /nfs/dbraw/zinc/84/39/86/562843986.db2.gz ZIMSQZUTUQQLNQ-DYYYKTGISA-N 2 2 653.893 6.478 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[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 562844197 /nfs/dbraw/zinc/84/41/97/562844197.db2.gz YDSPZKYEUWKLNB-JZTDQRQXSA-N 2 2 660.284 6.514 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[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 562844198 /nfs/dbraw/zinc/84/41/98/562844198.db2.gz YDSPZKYEUWKLNB-JZTDQRQXSA-N 2 2 660.284 6.514 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3cnc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)[NH+](C)C)[nH]c5c4)o3)ccc2[nH]1)c1ccccc1 ZINC000150599280 562846959 /nfs/dbraw/zinc/84/69/59/562846959.db2.gz TZDXGMWKFZFYGY-HTNZGVODSA-N 2 2 761.931 7.694 1 0 KKAFLP Cc1nn(-c2ncccc2-c2[nH]cc[nH+]2)cc1C[NH+]1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308850 562854190 /nfs/dbraw/zinc/85/41/90/562854190.db2.gz GEUSWMKIWGBJHY-UHFFFAOYSA-N 2 2 517.005 5.294 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3cccc(OC)c3)n2)CC1 ZINC000169323791 562857212 /nfs/dbraw/zinc/85/72/12/562857212.db2.gz ZOFNTXLFHUNWDI-UHFFFAOYSA-N 2 2 582.112 6.455 1 0 KKAFLP O=C(OC[C@@H]([C@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353287 562863444 /nfs/dbraw/zinc/86/34/44/562863444.db2.gz ZDIFOSOAJVECSC-NWWLCHBLSA-N 2 2 624.789 6.712 1 0 KKAFLP CC(=O)NC1CCN(c2cccc(-c3ccc4nc(-c5ccc[nH+]c5N)n(-c5ccc(C6([NH3+])CCC6)cc5)c4n3)c2)CC1 ZINC000169697642 562866526 /nfs/dbraw/zinc/86/65/26/562866526.db2.gz NNZWQEVDDAQCGE-UHFFFAOYSA-N 2 2 572.717 5.175 1 0 KKAFLP C[NH+](C)[C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988571 562874268 /nfs/dbraw/zinc/87/42/68/562874268.db2.gz RUHPPIMINRPEER-NRFANRHFSA-N 2 2 546.046 6.272 1 0 KKAFLP [NH3+][C@@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869024 562895250 /nfs/dbraw/zinc/89/52/50/562895250.db2.gz SZSYIYAPDDFJLI-HSZRJFAPSA-N 2 2 520.464 6.273 1 0 KKAFLP [NH3+][C@@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869024 562895251 /nfs/dbraw/zinc/89/52/51/562895251.db2.gz SZSYIYAPDDFJLI-HSZRJFAPSA-N 2 2 520.464 6.273 1 0 KKAFLP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299869391 562895301 /nfs/dbraw/zinc/89/53/01/562895301.db2.gz UPRFKYKXCABZPS-HSZRJFAPSA-N 2 2 570.637 5.264 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)cc[nH+]c4c3)cc2)CC1 ZINC000473095130 562897864 /nfs/dbraw/zinc/89/78/64/562897864.db2.gz XGHAZKLZDCGUCS-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)cc[nH+]c4c3)cc2)CC1 ZINC000473095130 562897865 /nfs/dbraw/zinc/89/78/65/562897865.db2.gz XGHAZKLZDCGUCS-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP 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 562901777 /nfs/dbraw/zinc/90/17/77/562901777.db2.gz ZNKKWDWTXAGSNK-SXSPYAJSSA-N 2 2 568.545 6.620 1 0 KKAFLP 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 562901778 /nfs/dbraw/zinc/90/17/78/562901778.db2.gz ZNKKWDWTXAGSNK-SXSPYAJSSA-N 2 2 568.545 6.620 1 0 KKAFLP 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 562901807 /nfs/dbraw/zinc/90/18/07/562901807.db2.gz ZNKKWDWTXAGSNK-TZYHBYERSA-N 2 2 568.545 6.620 1 0 KKAFLP 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 562901808 /nfs/dbraw/zinc/90/18/08/562901808.db2.gz ZNKKWDWTXAGSNK-TZYHBYERSA-N 2 2 568.545 6.620 1 0 KKAFLP C[NH+](C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473159172 562902623 /nfs/dbraw/zinc/90/26/23/562902623.db2.gz MPYUWVCFVIOYNX-GCSLNTQSSA-N 2 2 512.025 5.062 1 0 KKAFLP 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 562902967 /nfs/dbraw/zinc/90/29/67/562902967.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 2 2 528.480 5.576 1 0 KKAFLP 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 562902968 /nfs/dbraw/zinc/90/29/68/562902968.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 2 2 528.480 5.576 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473179708 562903449 /nfs/dbraw/zinc/90/34/49/562903449.db2.gz BZACNLCOLFMVGZ-XGAFWQRZSA-N 2 2 512.481 6.605 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000473183012 562903539 /nfs/dbraw/zinc/90/35/39/562903539.db2.gz ISXSHIWBHAEAOG-STZQEDGTSA-N 3 2 525.068 5.418 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000473183012 562903540 /nfs/dbraw/zinc/90/35/40/562903540.db2.gz ISXSHIWBHAEAOG-STZQEDGTSA-N 3 2 525.068 5.418 1 0 KKAFLP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473197791 562903689 /nfs/dbraw/zinc/90/36/89/562903689.db2.gz FMOQEUSSKGBLAW-SNRMKQJTSA-N 2 2 557.522 5.751 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000473198709 562903744 /nfs/dbraw/zinc/90/37/44/562903744.db2.gz VDISUPBLZNSGSR-DRGJWEBESA-N 2 2 541.067 5.237 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473199359 562903758 /nfs/dbraw/zinc/90/37/58/562903758.db2.gz ZKXICVCCUKCOEZ-IRJFHVNHSA-N 2 2 512.069 6.583 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607083 562905406 /nfs/dbraw/zinc/90/54/06/562905406.db2.gz JDWTWPKCJRCHIA-BHBYDHKZSA-N 2 2 640.206 5.762 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607083 562905407 /nfs/dbraw/zinc/90/54/07/562905407.db2.gz JDWTWPKCJRCHIA-BHBYDHKZSA-N 2 2 640.206 5.762 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2[NH+](C)CC3 ZINC000085530748 565135929 /nfs/dbraw/zinc/13/59/29/565135929.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 2 2 608.735 6.968 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2[NH+](C)CC3 ZINC000085530748 565135936 /nfs/dbraw/zinc/13/59/36/565135936.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 2 2 608.735 6.968 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2[N@H+](C)CC3 ZINC000085530748 565135940 /nfs/dbraw/zinc/13/59/40/565135940.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 2 2 608.735 6.968 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2[N@@H+](C)CC3 ZINC000085530748 565135946 /nfs/dbraw/zinc/13/59/46/565135946.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 2 2 608.735 6.968 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000095098949 565172119 /nfs/dbraw/zinc/17/21/19/565172119.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 2 2 684.786 6.163 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000095098949 565172125 /nfs/dbraw/zinc/17/21/25/565172125.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 2 2 684.786 6.163 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098949 565172130 /nfs/dbraw/zinc/17/21/30/565172130.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 2 2 684.786 6.163 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098949 565172134 /nfs/dbraw/zinc/17/21/34/565172134.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 2 2 684.786 6.163 1 0 biogenic,in-vitro KKAFLP Cc1cc(N2CCC([NH+]3CCCC3)CC2)[nH+]c2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671967 561723811 /nfs/dbraw/zinc/72/38/11/561723811.db2.gz ROIFDGZSVAMLHB-UHFFFAOYSA-N 2 2 528.575 5.524 1 0 KKAFLP O=C(NCC[NH2+]CC[NH2+]CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000019366932 561758538 /nfs/dbraw/zinc/75/85/38/561758538.db2.gz ZTTZZTPTFFRXLO-UHFFFAOYSA-N 2 2 608.746 5.456 1 0 KKAFLP COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CC[NH+](C)CC6)c5)nc4c3)c2cc1OC ZINC000023359481 561762101 /nfs/dbraw/zinc/76/21/01/561762101.db2.gz OGLAJZUWRJDROE-UHFFFAOYSA-N 2 2 560.054 6.330 1 0 KKAFLP COc1ccc([C@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1cc[nH+]c1 ZINC000026267290 561776535 /nfs/dbraw/zinc/77/65/35/561776535.db2.gz CNORTMXIZFGKGH-QNGWXLTQSA-N 2 2 629.867 8.139 1 0 KKAFLP COc1ccc([C@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1cc[nH+]c1 ZINC000026267290 561776537 /nfs/dbraw/zinc/77/65/37/561776537.db2.gz CNORTMXIZFGKGH-QNGWXLTQSA-N 2 2 629.867 8.139 1 0 KKAFLP CCc1[nH+]ccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000026383628 561783862 /nfs/dbraw/zinc/78/38/62/561783862.db2.gz BCEZGQLWWKMCIT-UHFFFAOYSA-N 2 2 670.814 6.239 1 0 KKAFLP Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026576951 561800838 /nfs/dbraw/zinc/80/08/38/561800838.db2.gz LZBBZUWWQMKLNP-UHFFFAOYSA-N 2 2 577.817 7.799 1 0 KKAFLP CC[NH+](CC)CCCCC(=O)OCc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026719853 561814933 /nfs/dbraw/zinc/81/49/33/561814933.db2.gz IPOXNCVFCJPRCT-UHFFFAOYSA-N 3 2 580.173 6.612 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848887 561827078 /nfs/dbraw/zinc/82/70/78/561827078.db2.gz RSRKUMMFMMRVHW-GDLZYMKVSA-N 2 2 601.525 5.552 1 0 KKAFLP COc1ccccc1[C@H]([C@H]1CCCCN1C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027440525 561860745 /nfs/dbraw/zinc/86/07/45/561860745.db2.gz RLHGGWYQVKICLX-GRKNLSHJSA-N 2 2 625.698 7.348 1 0 KKAFLP CCCC[C@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1-c1ccccc1C ZINC000027441987 561860789 /nfs/dbraw/zinc/86/07/89/561860789.db2.gz NHQNXUAJLTWRDQ-SVEHJYQDSA-N 2 2 550.769 6.038 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1cccc2ccccc21)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027518044 561861857 /nfs/dbraw/zinc/86/18/57/561861857.db2.gz UEXAKWLHQITACD-LJAQVGFWSA-N 2 2 591.640 7.228 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2c(Br)cc(Br)cc2Br)CC1 ZINC000027527139 561866714 /nfs/dbraw/zinc/86/67/14/561866714.db2.gz MHXYNUBOYVIBFZ-UHFFFAOYSA-N 2 2 631.272 7.336 1 0 KKAFLP [NH3+][C@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028342045 561914269 /nfs/dbraw/zinc/91/42/69/561914269.db2.gz SJUIYCCLDVYYMH-RUZDIDTESA-N 2 2 517.573 5.183 1 0 KKAFLP Cc1ccc(Cl)c(OC2([C@H](C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3cc[nH+]c3)CCCCC2)c1 ZINC000028347698 561915198 /nfs/dbraw/zinc/91/51/98/561915198.db2.gz AFEMFTNPESLYFE-NDEPHWFRSA-N 2 2 534.104 6.148 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1cc2cc(Cl)ccc2n1C ZINC000028565144 561935911 /nfs/dbraw/zinc/93/59/11/561935911.db2.gz NNOQJLWWECHQDJ-UHFFFAOYSA-N 2 2 615.138 5.297 1 0 KKAFLP C[NH2+]C1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@H](N2CC[NH+](C)CC2)C3=O)CC1 ZINC000028572525 561940198 /nfs/dbraw/zinc/94/01/98/561940198.db2.gz PBHGXPVLHMQKRM-UKFCUMGVSA-N 2 2 535.132 5.395 1 0 KKAFLP C[NH+](C)Cc1ncc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650307 561945888 /nfs/dbraw/zinc/94/58/88/561945888.db2.gz BIFFIEOCGJSJAA-FQEVSTJZSA-N 2 2 506.091 5.563 1 0 KKAFLP O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)N1Cc1ccccc1F ZINC000028704477 561948562 /nfs/dbraw/zinc/94/85/62/561948562.db2.gz ODLRYYFKCKZBFP-UHFFFAOYSA-N 2 2 523.612 5.011 1 0 KKAFLP O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C(=O)N1C1CCCCC1 ZINC000028704472 561948576 /nfs/dbraw/zinc/94/85/76/561948576.db2.gz KBQZRHPBPJPEKL-UHFFFAOYSA-N 2 2 515.633 5.143 1 0 KKAFLP COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-c5ccc(N)[nH+]c5)cc4)CC3)C2=O)c1 ZINC000028704500 561948694 /nfs/dbraw/zinc/94/86/94/561948694.db2.gz FUZADFOVBMYWBQ-UHFFFAOYSA-N 2 2 565.649 5.482 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(C(F)(F)F)c1 ZINC000028714012 561954407 /nfs/dbraw/zinc/95/44/07/561954407.db2.gz AAYLREDRSLTKMS-UHFFFAOYSA-N 2 2 534.026 5.147 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc(C(F)(F)F)c1 ZINC000028714012 561954408 /nfs/dbraw/zinc/95/44/08/561954408.db2.gz AAYLREDRSLTKMS-UHFFFAOYSA-N 2 2 534.026 5.147 1 0 KKAFLP CC(=O)c1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2C2CC[NH+](C)CC2)cc1 ZINC000028823389 561967939 /nfs/dbraw/zinc/96/79/39/561967939.db2.gz SDJYNDYELPNANW-UHFFFAOYSA-N 2 2 531.745 6.784 1 0 KKAFLP C[C@H]([NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824126 561969080 /nfs/dbraw/zinc/96/90/80/561969080.db2.gz KHIFGJZXVUNEIN-FQEVSTJZSA-N 2 2 506.050 5.456 1 0 KKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000028827095 561971525 /nfs/dbraw/zinc/97/15/25/561971525.db2.gz XGCIBUPOYFXPRN-UHFFFAOYSA-N 2 2 512.551 6.241 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@H+](Cc3ccco3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986549 /nfs/dbraw/zinc/98/65/49/561986549.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccco3)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986551 /nfs/dbraw/zinc/98/65/51/561986551.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](Cc3ccco3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986552 /nfs/dbraw/zinc/98/65/52/561986552.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](Cc3ccco3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986554 /nfs/dbraw/zinc/98/65/54/561986554.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(C)CC[N@@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038674 561989195 /nfs/dbraw/zinc/98/91/95/561989195.db2.gz IJWOVXYTICBRTE-QFZWGZQFSA-N 2 2 550.545 5.051 1 0 KKAFLP CC(C)CC[N@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038674 561989197 /nfs/dbraw/zinc/98/91/97/561989197.db2.gz IJWOVXYTICBRTE-QFZWGZQFSA-N 2 2 550.545 5.051 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCC2CCCCC2)[nH+]1 ZINC000029038868 561989255 /nfs/dbraw/zinc/98/92/55/561989255.db2.gz PVMCOMNJCLJILR-UHFFFAOYSA-N 2 2 525.830 6.949 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCC2CCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038868 561989256 /nfs/dbraw/zinc/98/92/56/561989256.db2.gz PVMCOMNJCLJILR-UHFFFAOYSA-N 2 2 525.830 6.949 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCC2CCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038868 561989257 /nfs/dbraw/zinc/98/92/57/561989257.db2.gz PVMCOMNJCLJILR-UHFFFAOYSA-N 2 2 525.830 6.949 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029038779 561989298 /nfs/dbraw/zinc/98/92/98/561989298.db2.gz VOHIUUDAGFCFKS-UHFFFAOYSA-N 2 2 525.830 7.091 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038779 561989299 /nfs/dbraw/zinc/98/92/99/561989299.db2.gz VOHIUUDAGFCFKS-UHFFFAOYSA-N 2 2 525.830 7.091 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038779 561989301 /nfs/dbraw/zinc/98/93/01/561989301.db2.gz VOHIUUDAGFCFKS-UHFFFAOYSA-N 2 2 525.830 7.091 1 0 KKAFLP Clc1ccc(C(c2ccc(C[NH+]3CCCC3)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cc[nH+]c2)cc1 ZINC000029134939 562004300 /nfs/dbraw/zinc/00/43/00/562004300.db2.gz BFHIFDHTWLJYNR-UHFFFAOYSA-N 3 2 511.113 6.568 1 0 KKAFLP C[NH+](CCC[N@@H+](C)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000029205333 562005083 /nfs/dbraw/zinc/00/50/83/562005083.db2.gz YGTRQVAACOTRKH-UHFFFAOYSA-N 2 2 660.821 6.568 1 0 KKAFLP C[NH+](CCC[N@H+](C)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000029205333 562005085 /nfs/dbraw/zinc/00/50/85/562005085.db2.gz YGTRQVAACOTRKH-UHFFFAOYSA-N 2 2 660.821 6.568 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)C[N@@H+]1CCc1c[nH]c2ccccc12 ZINC000029408539 562021195 /nfs/dbraw/zinc/02/11/95/562021195.db2.gz CYQLEMUNTGDXFB-IHUVGRGJSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)C[N@H+]1CCc1c[nH]c2ccccc12 ZINC000029408539 562021198 /nfs/dbraw/zinc/02/11/98/562021198.db2.gz CYQLEMUNTGDXFB-IHUVGRGJSA-N 3 2 584.805 5.035 1 0 KKAFLP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029483519 562027867 /nfs/dbraw/zinc/02/78/67/562027867.db2.gz QKIXWDUWIQVUPK-ZPGRZCPFSA-N 2 2 626.886 5.911 1 0 KKAFLP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029483519 562027868 /nfs/dbraw/zinc/02/78/68/562027868.db2.gz QKIXWDUWIQVUPK-ZPGRZCPFSA-N 2 2 626.886 5.911 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033825159 562037722 /nfs/dbraw/zinc/03/77/22/562037722.db2.gz RPRLKZRXRPHBLA-UHFFFAOYSA-N 2 2 521.448 6.264 1 0 KKAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CC/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050550 562044569 /nfs/dbraw/zinc/04/45/69/562044569.db2.gz IRQMOHIVUZCEOX-ANUZZMICSA-N 2 2 519.085 5.183 1 0 KKAFLP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH2+]CC/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050550 562044571 /nfs/dbraw/zinc/04/45/71/562044571.db2.gz IRQMOHIVUZCEOX-ANUZZMICSA-N 2 2 519.085 5.183 1 0 KKAFLP CC[C@@H](C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285635 562054295 /nfs/dbraw/zinc/05/42/95/562054295.db2.gz TUVLNWRHXNOMHI-WMQVBLFHSA-N 2 2 599.569 6.722 1 0 KKAFLP CC[C@@H](C)[C@H]([NH2+]CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285601 562054312 /nfs/dbraw/zinc/05/43/12/562054312.db2.gz HXYRJQCIJOWCGS-DWXRJYCRSA-N 2 2 559.504 5.929 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cc(F)cc(F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157896 562069790 /nfs/dbraw/zinc/06/97/90/562069790.db2.gz NUSNPTQIBDKHCJ-UHFFFAOYSA-N 2 2 542.045 6.886 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccccc3Cl)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157900 562069800 /nfs/dbraw/zinc/06/98/00/562069800.db2.gz JSFSSLGRLOSSKW-UHFFFAOYSA-N 2 2 540.510 7.262 1 0 KKAFLP COc1cccc(Cn2c3ccccc3[nH+]c2NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)c1 ZINC000038257674 562070759 /nfs/dbraw/zinc/07/07/59/562070759.db2.gz ATLHSMTXMSHZHW-UHFFFAOYSA-N 2 2 511.670 5.733 1 0 KKAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430778 562076873 /nfs/dbraw/zinc/07/68/73/562076873.db2.gz WOMWTCFFKLQKJG-NRFANRHFSA-N 2 2 512.054 5.124 1 0 KKAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430778 562076874 /nfs/dbraw/zinc/07/68/74/562076874.db2.gz WOMWTCFFKLQKJG-NRFANRHFSA-N 2 2 512.054 5.124 1 0 KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000085541065 560071623 /nfs/dbraw/zinc/07/16/23/560071623.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000085541065 560071625 /nfs/dbraw/zinc/07/16/25/560071625.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000085541065 560071626 /nfs/dbraw/zinc/07/16/26/560071626.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000085541065 560071628 /nfs/dbraw/zinc/07/16/28/560071628.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 biogenic,in-vitro KKAFLP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000044146197 562652463 /nfs/dbraw/zinc/65/24/63/562652463.db2.gz WMXDAWQFSVIINV-UHFFFAOYSA-N 3 2 613.980 8.125 1 0 KKAFLP C[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000044281224 562653006 /nfs/dbraw/zinc/65/30/06/562653006.db2.gz VFWIKSAVDMFGRU-UHFFFAOYSA-N 2 2 622.781 5.670 1 0 KKAFLP C[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044281224 562653007 /nfs/dbraw/zinc/65/30/07/562653007.db2.gz VFWIKSAVDMFGRU-UHFFFAOYSA-N 2 2 622.781 5.670 1 0 KKAFLP O=S(=O)(Nc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000045188401 562658318 /nfs/dbraw/zinc/65/83/18/562658318.db2.gz OCWXLJILXRLNDX-UHFFFAOYSA-N 2 2 520.699 5.168 1 0 KKAFLP CC(C)[NH+]1CCN([C@H](C[NH+]2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190156 562658424 /nfs/dbraw/zinc/65/84/24/562658424.db2.gz MEJKIBRHTNWGNT-JGCGQSQUSA-N 2 2 518.721 5.133 1 0 KKAFLP CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000045194266 562658805 /nfs/dbraw/zinc/65/88/05/562658805.db2.gz QVFBRZNXSZJTBZ-UHFFFAOYSA-N 2 2 520.743 5.199 1 0 KKAFLP O=c1ccc2ccc(F)c3c2n1C[C@@H]3C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202726 562659269 /nfs/dbraw/zinc/65/92/69/562659269.db2.gz NSQVTZMDHHVPBP-QFIPXVFZSA-N 2 2 503.021 5.207 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000045245713 562659731 /nfs/dbraw/zinc/65/97/31/562659731.db2.gz QWNBSJOCJVHVKS-UHFFFAOYSA-N 2 2 526.660 5.606 1 0 KKAFLP CC(C)[NH+]1CCN([C@@H](C[NH+]2CCN(CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302503 562660627 /nfs/dbraw/zinc/66/06/27/562660627.db2.gz NJMRBFHKXPEDSH-UMSFTDKQSA-N 2 2 544.759 5.647 1 0 KKAFLP COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1C[N@H+](C)CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000048307395 562663096 /nfs/dbraw/zinc/66/30/96/562663096.db2.gz KSUAJGPNMYTDRA-UHFFFAOYSA-N 3 2 590.640 5.202 1 0 KKAFLP COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1C[N@@H+](C)CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000048307395 562663097 /nfs/dbraw/zinc/66/30/97/562663097.db2.gz KSUAJGPNMYTDRA-UHFFFAOYSA-N 3 2 590.640 5.202 1 0 KKAFLP Cc1[nH+]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)N(CC[NH2+]C(C)C)C(C)C)c1Br ZINC000049604935 562665075 /nfs/dbraw/zinc/66/50/75/562665075.db2.gz YHWAUBCPZMSAPE-UHFFFAOYSA-N 2 2 624.498 8.026 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(I)c(O[C@@H]3CC[NH+](C)C3)c2)C1 ZINC000049605255 562665544 /nfs/dbraw/zinc/66/55/44/562665544.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(I)c(O[C@@H]3CC[NH+](C)C3)c2)C1 ZINC000049605255 562665545 /nfs/dbraw/zinc/66/55/45/562665545.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(I)c(O[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000049605255 562665546 /nfs/dbraw/zinc/66/55/46/562665546.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 2 2 674.649 5.124 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[NH+](Cc2ccc(I)c(O[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000049605255 562665547 /nfs/dbraw/zinc/66/55/47/562665547.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 2 2 674.649 5.124 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCC[C@@H]3CCC[N@@H+]3C)nc21 ZINC000049605602 562666109 /nfs/dbraw/zinc/66/61/09/562666109.db2.gz GIMUQLCVOVKVCW-IBGZPJMESA-N 2 2 556.568 5.728 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCC[C@@H]3CCC[N@H+]3C)nc21 ZINC000049605602 562666110 /nfs/dbraw/zinc/66/61/10/562666110.db2.gz GIMUQLCVOVKVCW-IBGZPJMESA-N 2 2 556.568 5.728 1 0 KKAFLP CC(C)CC[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]CCC(C)C)cc3I)c2)c(I)c1 ZINC000049710740 562671800 /nfs/dbraw/zinc/67/18/00/562671800.db2.gz CJGWXLCZKDLYJC-UHFFFAOYSA-N 2 2 740.508 8.325 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CC[NH+](Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723231 562673121 /nfs/dbraw/zinc/67/31/21/562673121.db2.gz KWOJGLWJTMKOGT-UNVMMQEESA-N 2 2 633.793 5.163 1 0 KKAFLP C[N@@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673885 /nfs/dbraw/zinc/67/38/85/562673885.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 2 2 541.317 5.233 1 0 KKAFLP C[N@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673886 /nfs/dbraw/zinc/67/38/86/562673886.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 2 2 541.317 5.233 1 0 KKAFLP C[NH+]1CCC[C@H]1COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673887 /nfs/dbraw/zinc/67/38/87/562673887.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 2 2 541.317 5.233 1 0 KKAFLP C[NH+]1CCC[C@H]1COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673888 /nfs/dbraw/zinc/67/38/88/562673888.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 2 2 541.317 5.233 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746049 562674207 /nfs/dbraw/zinc/67/42/07/562674207.db2.gz RJLWTIWBORUOFS-UHFFFAOYSA-N 2 2 648.918 6.819 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746049 562674208 /nfs/dbraw/zinc/67/42/08/562674208.db2.gz RJLWTIWBORUOFS-UHFFFAOYSA-N 2 2 648.918 6.819 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746651 562674535 /nfs/dbraw/zinc/67/45/35/562674535.db2.gz GFHYQYKEVCHEJJ-UHFFFAOYSA-N 2 2 620.864 6.038 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746651 562674536 /nfs/dbraw/zinc/67/45/36/562674536.db2.gz GFHYQYKEVCHEJJ-UHFFFAOYSA-N 2 2 620.864 6.038 1 0 KKAFLP [NH3+][C@@H](CCNc1nc(N2CCCCC2)nc(NCCCNc2cc[nH+]c3cc(Cl)ccc23)[nH+]1)c1ccnc2cc(Cl)ccc21 ZINC000049757116 562675533 /nfs/dbraw/zinc/67/55/33/562675533.db2.gz NTHQIZRRRSZZPX-SANMLTNESA-N 3 2 631.616 6.681 1 0 KKAFLP [NH3+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000049767959 562677760 /nfs/dbraw/zinc/67/77/60/562677760.db2.gz GFRIHXLMTCPWCG-ITMZJIMRSA-N 3 2 653.959 6.408 1 0 KKAFLP [NH3+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000049767959 562677761 /nfs/dbraw/zinc/67/77/61/562677761.db2.gz GFRIHXLMTCPWCG-ITMZJIMRSA-N 3 2 653.959 6.408 1 0 KKAFLP CC[NH+](CC)CCNc1cc(-n2c3ccccc3[nH+]c2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049777418 562679991 /nfs/dbraw/zinc/67/99/91/562679991.db2.gz REDBMKRPRFVCHI-UHFFFAOYSA-N 2 2 602.665 6.892 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCC[C@H]2COCC[NH2+]2)ncn1 ZINC000049777421 562680018 /nfs/dbraw/zinc/68/00/18/562680018.db2.gz XPIADKIXMMYTSD-VWLOTQADSA-N 2 2 630.675 6.319 1 0 KKAFLP CC[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4[nH+]c5ccccc5n4-c4cc(N)ncn4)c3)cc2Cl)CC1 ZINC000049777600 562680293 /nfs/dbraw/zinc/68/02/93/562680293.db2.gz KXTIIOOGQPWWGE-UHFFFAOYSA-N 2 2 596.139 5.493 1 0 KKAFLP CC[NH+]1CCN(c2cc(C(=O)Nc3ccc(C)c(Nc4[nH+]c5ccccc5n4-c4cc(N)ncn4)c3)cc(C(F)(F)F)c2)CC1 ZINC000049780501 562681809 /nfs/dbraw/zinc/68/18/09/562681809.db2.gz HTEUQPWFMDGLKN-UHFFFAOYSA-N 2 2 615.664 5.863 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792790 562684502 /nfs/dbraw/zinc/68/45/02/562684502.db2.gz GQLRVZUEFPBQLU-PDZRJKAFSA-N 2 2 570.777 7.322 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792790 562684503 /nfs/dbraw/zinc/68/45/03/562684503.db2.gz GQLRVZUEFPBQLU-PDZRJKAFSA-N 2 2 570.777 7.322 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792790 562684504 /nfs/dbraw/zinc/68/45/04/562684504.db2.gz GQLRVZUEFPBQLU-PDZRJKAFSA-N 2 2 570.777 7.322 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049792790 562684505 /nfs/dbraw/zinc/68/45/05/562684505.db2.gz GQLRVZUEFPBQLU-PDZRJKAFSA-N 2 2 570.777 7.322 1 0 KKAFLP C[NH+]1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7nnc(-c8ccccn8)[nH]7)CC6)cc5)nc4ccn23)CC1 ZINC000049832887 562687273 /nfs/dbraw/zinc/68/72/73/562687273.db2.gz RZYIGEQNJODIFX-UHFFFAOYSA-N 2 2 675.845 5.919 1 0 KKAFLP C[NH+]1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7n[nH]c(-c8ccccn8)n7)CC6)cc5)nc4ccn23)CC1 ZINC000049832887 562687274 /nfs/dbraw/zinc/68/72/74/562687274.db2.gz RZYIGEQNJODIFX-UHFFFAOYSA-N 2 2 675.845 5.919 1 0 KKAFLP C[NH+]1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(C[NH+]6CCC(c7nc(-c8ccccn8)n[nH]7)CC6)cc5)nc4ccn23)CC1 ZINC000049832887 562687275 /nfs/dbraw/zinc/68/72/75/562687275.db2.gz RZYIGEQNJODIFX-UHFFFAOYSA-N 2 2 675.845 5.919 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCCC[NH+]3CCOCC3)nc21 ZINC000049917783 562693895 /nfs/dbraw/zinc/69/38/95/562693895.db2.gz LCITVEHDYVFAJG-UHFFFAOYSA-N 2 2 590.557 5.106 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000053312701 562697580 /nfs/dbraw/zinc/69/75/80/562697580.db2.gz LNMWIESJYPJEHD-UHFFFAOYSA-N 2 2 578.521 5.819 1 0 KKAFLP FC(F)(F)Oc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058581882 562699883 /nfs/dbraw/zinc/69/98/83/562699883.db2.gz UVTTXKXCSIOWAF-UHFFFAOYSA-N 2 2 529.006 7.259 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(C)cc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000066104985 562711819 /nfs/dbraw/zinc/71/18/19/562711819.db2.gz KGOKGWGUTDCYAR-UHFFFAOYSA-N 2 2 566.113 6.754 1 0 KKAFLP COCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c1 ZINC000068087594 562715764 /nfs/dbraw/zinc/71/57/64/562715764.db2.gz ZYLYHIRSGOICHC-WCABBKOESA-N 2 2 688.096 6.185 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294647 562716941 /nfs/dbraw/zinc/71/69/41/562716941.db2.gz WWWDSUPUGKTUBA-FITHBNAOSA-N 2 2 530.732 6.648 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294647 562716942 /nfs/dbraw/zinc/71/69/42/562716942.db2.gz WWWDSUPUGKTUBA-FITHBNAOSA-N 2 2 530.732 6.648 1 0 KKAFLP C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@@H](Oc2cc[nH+]cc2)c2ccc(Br)cc2)CC1 ZINC000071296901 562717657 /nfs/dbraw/zinc/71/76/57/562717657.db2.gz AOUQIZRTIMIHNA-QYBDOPJKSA-N 2 2 592.365 6.587 1 0 KKAFLP COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CCCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116884 562723251 /nfs/dbraw/zinc/72/32/51/562723251.db2.gz VJMBYBQPXIEJEM-UHFFFAOYSA-N 3 2 524.754 5.168 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129963 562726673 /nfs/dbraw/zinc/72/66/73/562726673.db2.gz VOFKKBAFIPWOBQ-ULJKERAFSA-N 2 2 646.257 6.078 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129963 562726674 /nfs/dbraw/zinc/72/66/74/562726674.db2.gz VOFKKBAFIPWOBQ-ULJKERAFSA-N 2 2 646.257 6.078 1 0 KKAFLP C[NH+]1CCN(CCCNc2[nH]c3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH+]2)CC1 ZINC000072136973 562728235 /nfs/dbraw/zinc/72/82/35/562728235.db2.gz FJXOXTNXKDDKBD-UHFFFAOYSA-N 2 2 585.606 6.207 1 0 KKAFLP CN1CC[NH+](CCCNc2[nH]c3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH+]2)CC1 ZINC000072136973 562728236 /nfs/dbraw/zinc/72/82/36/562728236.db2.gz FJXOXTNXKDDKBD-UHFFFAOYSA-N 2 2 585.606 6.207 1 0 KKAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073196976 562735241 /nfs/dbraw/zinc/73/52/41/562735241.db2.gz FSJPGPCOOZZWOK-JGCGQSQUSA-N 2 2 623.625 5.653 1 0 KKAFLP C[C@H](Nc1cc(N2CCC[C@@H]([N@@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000073198248 562735607 /nfs/dbraw/zinc/73/56/07/562735607.db2.gz FJAVFDVEPOTXLF-WXVAWEFUSA-N 2 2 525.100 6.392 1 0 KKAFLP C[C@H](Nc1cc(N2CCC[C@@H]([N@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000073198248 562735608 /nfs/dbraw/zinc/73/56/08/562735608.db2.gz FJAVFDVEPOTXLF-WXVAWEFUSA-N 2 2 525.100 6.392 1 0 KKAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)[NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280283 562737471 /nfs/dbraw/zinc/73/74/71/562737471.db2.gz XXWFSNOROXVFAO-UMSFTDKQSA-N 2 2 620.835 5.038 1 0 KKAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140160 562739335 /nfs/dbraw/zinc/73/93/35/562739335.db2.gz FLPGMOMOSYEXAP-MUUNZHRXSA-N 2 2 661.030 5.066 1 0 KKAFLP Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H]([N@@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)nc[nH+]3)[nH]c2cc1Cl ZINC000082150341 562739824 /nfs/dbraw/zinc/73/98/24/562739824.db2.gz YBSRGQCJZVKVHS-DLLPINGYSA-N 2 2 625.608 7.090 1 0 KKAFLP Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H]([N@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)nc[nH+]3)[nH]c2cc1Cl ZINC000082150341 562739825 /nfs/dbraw/zinc/73/98/25/562739825.db2.gz YBSRGQCJZVKVHS-DLLPINGYSA-N 2 2 625.608 7.090 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782775 /nfs/dbraw/zinc/78/27/75/562782775.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 2 2 526.725 5.539 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782776 /nfs/dbraw/zinc/78/27/76/562782776.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 2 2 526.725 5.539 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000095696495 562788480 /nfs/dbraw/zinc/78/84/80/562788480.db2.gz XBVLEIVXSOQLFB-UHFFFAOYSA-N 2 2 555.000 6.630 1 0 KKAFLP O=C(CN1CC[NH+](CCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271829 562793881 /nfs/dbraw/zinc/79/38/81/562793881.db2.gz RFMLTHAJELVKLQ-UHFFFAOYSA-N 2 2 616.762 6.302 1 0 KKAFLP O=C(CN1CC[NH+](CCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000096271831 562793935 /nfs/dbraw/zinc/79/39/35/562793935.db2.gz CTGCJJGSKOQITO-UHFFFAOYSA-N 2 2 630.789 6.692 1 0 KKAFLP CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@@H+](CC1CC[NH2+]CC1)C3 ZINC000096906049 562798647 /nfs/dbraw/zinc/79/86/47/562798647.db2.gz FOXHYCXGLCVFMK-JVOKKMTMSA-N 2 2 548.856 8.738 1 0 KKAFLP CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OC[N@H+](CC1CC[NH2+]CC1)C3 ZINC000096906049 562798648 /nfs/dbraw/zinc/79/86/48/562798648.db2.gz FOXHYCXGLCVFMK-JVOKKMTMSA-N 2 2 548.856 8.738 1 0 KKAFLP COc1cccc(C[NH+]2CCN(C[C@@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907752 562799222 /nfs/dbraw/zinc/79/92/22/562799222.db2.gz JIZBSLOZXTWCDC-JXEGDCPISA-N 2 2 838.891 8.357 1 0 KKAFLP COc1ccc(C[C@@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913940 562800552 /nfs/dbraw/zinc/80/05/52/562800552.db2.gz MMCZBTWRJUEGHU-SSEXGKCCSA-N 2 2 587.761 5.035 1 0 KKAFLP COc1ccc(C[C@@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913940 562800553 /nfs/dbraw/zinc/80/05/53/562800553.db2.gz MMCZBTWRJUEGHU-SSEXGKCCSA-N 2 2 587.761 5.035 1 0 KKAFLP C[C@](O)(c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926980 562802515 /nfs/dbraw/zinc/80/25/15/562802515.db2.gz OQPCBRUAQKPVNO-ZLLOCRDSSA-N 2 2 644.816 6.393 1 0 KKAFLP C[C@](O)(c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926980 562802516 /nfs/dbraw/zinc/80/25/16/562802516.db2.gz OQPCBRUAQKPVNO-ZLLOCRDSSA-N 2 2 644.816 6.393 1 0 KKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(NCC[NH+]2CCOCC2)c(-c2ccccc2)c1 ZINC000096940297 562804961 /nfs/dbraw/zinc/80/49/61/562804961.db2.gz SCLHUQPNBICRKD-UHFFFAOYSA-N 2 2 543.715 6.622 1 0 KKAFLP Cc1sc2[nH+]c3c(c(NCCCNc4c5c(C)c(C)sc5[nH+]c5c4CCCC5)c2c1C)CCCC3 ZINC000098084168 562805613 /nfs/dbraw/zinc/80/56/13/562805613.db2.gz OGFOLTDOCLVSJQ-UHFFFAOYSA-N 2 2 504.769 7.811 1 0 KKAFLP Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)[NH+]8[C@H]46)C7)c-3nc21 ZINC000101279629 562810217 /nfs/dbraw/zinc/81/02/17/562810217.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 2 2 562.758 6.877 1 0 KKAFLP Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)[NH+]8[C@H]46)C7)c-3nc21 ZINC000101279629 562810218 /nfs/dbraw/zinc/81/02/18/562810218.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 2 2 562.758 6.877 1 0 KKAFLP Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[NH+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)[N@@H+]8[C@H]46)C7)c-3nc21 ZINC000101279629 562810219 /nfs/dbraw/zinc/81/02/19/562810219.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 2 2 562.758 6.877 1 0 KKAFLP Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[NH+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)[N@H+]8[C@H]46)C7)c-3nc21 ZINC000101279629 562810220 /nfs/dbraw/zinc/81/02/20/562810220.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 2 2 562.758 6.877 1 0 KKAFLP CC(C)(C)n1nnnc1[C@H]([NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 ZINC000103233851 562818539 /nfs/dbraw/zinc/81/85/39/562818539.db2.gz ODVZHJQDBJYXGP-OAQYLSRUSA-N 2 2 504.853 5.728 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103235737 562818743 /nfs/dbraw/zinc/81/87/43/562818743.db2.gz USAXVIXBYKTAEI-KUMHGWDASA-N 2 2 547.187 7.163 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103235737 562818744 /nfs/dbraw/zinc/81/87/44/562818744.db2.gz USAXVIXBYKTAEI-KUMHGWDASA-N 2 2 547.187 7.163 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000103261488 562821459 /nfs/dbraw/zinc/82/14/59/562821459.db2.gz BXWNFSDIKPXQSG-MUUNZHRXSA-N 2 2 530.635 5.243 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000103261488 562821460 /nfs/dbraw/zinc/82/14/60/562821460.db2.gz BXWNFSDIKPXQSG-MUUNZHRXSA-N 2 2 530.635 5.243 1 0 KKAFLP [NH3+][C@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114034998 562826942 /nfs/dbraw/zinc/82/69/42/562826942.db2.gz VDRCJVZTFBOTHB-SFHVURJKSA-N 2 2 533.007 5.454 1 0 KKAFLP [NH3+][C@@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114034995 562826968 /nfs/dbraw/zinc/82/69/68/562826968.db2.gz VDRCJVZTFBOTHB-GOSISDBHSA-N 2 2 533.007 5.454 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CC[NH2+]CC5)cn4)c3c2)cc(Cl)c1O ZINC000114035699 562827051 /nfs/dbraw/zinc/82/70/51/562827051.db2.gz BXSZISRMJBDTIP-UHFFFAOYSA-N 2 2 530.028 5.410 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@@H+]5CCC(F)(F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114037821 562827271 /nfs/dbraw/zinc/82/72/71/562827271.db2.gz UBFHRBSHNDAYIC-UHFFFAOYSA-N 2 2 556.053 6.926 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC([N@H+]5CCC(F)(F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114037821 562827272 /nfs/dbraw/zinc/82/72/72/562827272.db2.gz UBFHRBSHNDAYIC-UHFFFAOYSA-N 2 2 556.053 6.926 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCN(CC[NH+](C)C)CC1 ZINC000114038618 562827326 /nfs/dbraw/zinc/82/73/26/562827326.db2.gz ADHBMAWHFNATSK-UHFFFAOYSA-N 2 2 501.458 5.555 1 0 KKAFLP C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039436 562827444 /nfs/dbraw/zinc/82/74/44/562827444.db2.gz PWVMODVQUPGFRS-HXUWFJFHSA-N 2 2 532.019 5.929 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CC[NH2+]CC2)c1)C1CC1 ZINC000114039610 562827457 /nfs/dbraw/zinc/82/74/57/562827457.db2.gz MVHATJAXGNXNRE-UHFFFAOYSA-N 2 2 505.981 5.857 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([N@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789039 562830578 /nfs/dbraw/zinc/83/05/78/562830578.db2.gz JHUAOSPKENTLLI-AZRWZDCJSA-N 2 2 618.262 8.070 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789039 562830579 /nfs/dbraw/zinc/83/05/79/562830579.db2.gz JHUAOSPKENTLLI-AZRWZDCJSA-N 2 2 618.262 8.070 1 0 KKAFLP COc1cccc(F)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786733 562839685 /nfs/dbraw/zinc/83/96/85/562839685.db2.gz YDTYYMZZBCKIOD-WXVAWEFUSA-N 2 2 538.627 5.198 1 0 KKAFLP COc1cccc(F)c1C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786733 562839686 /nfs/dbraw/zinc/83/96/86/562839686.db2.gz YDTYYMZZBCKIOD-WXVAWEFUSA-N 2 2 538.627 5.198 1 0 KKAFLP COc1cc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148739447 562841748 /nfs/dbraw/zinc/84/17/48/562841748.db2.gz QSLMZWGPJXKPBS-UHFFFAOYSA-N 2 2 584.105 5.090 1 0 KKAFLP O=C(CN(N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000150525715 562843772 /nfs/dbraw/zinc/84/37/72/562843772.db2.gz DLHLGXBLKOJKKI-RRHRGVEJSA-N 2 2 862.791 8.184 1 0 KKAFLP O[C@@H](C[NH2+]CC[NH2+]C[C@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150539976 562844155 /nfs/dbraw/zinc/84/41/55/562844155.db2.gz FHSJCBHOLCFCCC-ACHIHNKUSA-N 2 2 856.288 7.550 1 0 KKAFLP O[C@H](C[NH2+]CC[NH2+]C[C@@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150557899 562844789 /nfs/dbraw/zinc/84/47/89/562844789.db2.gz FHSJCBHOLCFCCC-ROJLCIKYSA-N 2 2 856.288 7.550 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150598513 562846869 /nfs/dbraw/zinc/84/68/69/562846869.db2.gz IUKDDNWJLHYBGC-ATUXXYJQSA-N 2 2 746.960 8.067 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317819 562856024 /nfs/dbraw/zinc/85/60/24/562856024.db2.gz IWYTUWMBDRWLJL-RPLLCQBOSA-N 2 2 502.577 6.019 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCc4ccccc43)n2)CC1 ZINC000169323814 562857187 /nfs/dbraw/zinc/85/71/87/562857187.db2.gz TUVMCWWCIWMGBE-UHFFFAOYSA-N 2 2 578.124 6.397 1 0 KKAFLP COc1cccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CC[NH+](C)CC3)n2)c1 ZINC000169323787 562857193 /nfs/dbraw/zinc/85/71/93/562857193.db2.gz VEJNPEIENDMOJY-UHFFFAOYSA-N 2 2 568.085 6.064 1 0 KKAFLP Clc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)c1 ZINC000169323777 562857215 /nfs/dbraw/zinc/85/72/15/562857215.db2.gz UMICBQBSKOOTHJ-UHFFFAOYSA-N 2 2 616.557 7.092 1 0 KKAFLP O=C(OC[C@@H]([C@@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353029 562863373 /nfs/dbraw/zinc/86/33/73/562863373.db2.gz OVBWQROKKIVGSL-JJQXXVEZSA-N 2 2 638.816 7.102 1 0 KKAFLP O=C(OC[C@@H](CC1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353289 562863446 /nfs/dbraw/zinc/86/34/46/562863446.db2.gz ZFHBIFNRZSIJML-UUWRZZSWSA-N 2 2 652.843 7.492 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCN(CC[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000203803547 562874174 /nfs/dbraw/zinc/87/41/74/562874174.db2.gz WSITVFNXXHTAID-UHFFFAOYSA-N 2 2 535.088 5.080 1 0 KKAFLP CC(C)C(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000215726902 562877410 /nfs/dbraw/zinc/87/74/10/562877410.db2.gz PMQCQMRHYRVPLT-UHFFFAOYSA-N 2 2 510.053 6.551 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000219354673 562878125 /nfs/dbraw/zinc/87/81/25/562878125.db2.gz DAOLHFKLYFASDC-KNQAVFIVSA-N 2 2 525.068 5.821 1 0 KKAFLP CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)c(O)cc1O ZINC000299831643 562885681 /nfs/dbraw/zinc/88/56/81/562885681.db2.gz FFYGNZCFVJWTMP-UHFFFAOYSA-N 2 2 544.696 5.952 1 0 KKAFLP CN1CC[NH+]([C@]23C[C@H](c4ccccc4)[C@H]([C@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000299845314 562889463 /nfs/dbraw/zinc/88/94/63/562889463.db2.gz ZLHFKUBQDTULIC-NTCBOEBKSA-N 3 2 500.775 5.284 1 0 KKAFLP CN1CC[NH+]([C@]23C[C@H](c4ccccc4)[C@H]([C@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000299845314 562889464 /nfs/dbraw/zinc/88/94/64/562889464.db2.gz ZLHFKUBQDTULIC-NTCBOEBKSA-N 3 2 500.775 5.284 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@@H+]5CCC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179720 562903389 /nfs/dbraw/zinc/90/33/89/562903389.db2.gz IXCHJMYKGOCIGQ-UEVCKROQSA-N 3 2 537.104 5.288 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@@H]([NH3+])C5)CC4)c3c2)cc(Cl)c1O ZINC000473179720 562903390 /nfs/dbraw/zinc/90/33/90/562903390.db2.gz IXCHJMYKGOCIGQ-UEVCKROQSA-N 3 2 537.104 5.288 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000473179717 562903417 /nfs/dbraw/zinc/90/34/17/562903417.db2.gz HXRLOEMGARLZIA-YYWHXJBOSA-N 2 2 527.496 5.542 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000473179717 562903418 /nfs/dbraw/zinc/90/34/18/562903418.db2.gz HXRLOEMGARLZIA-YYWHXJBOSA-N 2 2 527.496 5.542 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCN(C)CC2)CC1 ZINC000473179741 562903455 /nfs/dbraw/zinc/90/34/55/562903455.db2.gz RJPWGNJDUOTIGL-XYWHTSSQSA-N 2 2 525.068 5.243 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473183376 562903619 /nfs/dbraw/zinc/90/36/19/562903619.db2.gz VGEVVJRLSYQMSB-XGAFWQRZSA-N 2 2 510.053 6.481 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)CC1 ZINC000473197797 562903683 /nfs/dbraw/zinc/90/36/83/562903683.db2.gz FYCWVFLHMCMZRF-IRJFHVNHSA-N 2 2 543.495 5.187 1 0 KKAFLP C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473197784 562903714 /nfs/dbraw/zinc/90/37/14/562903714.db2.gz FMOQEUSSKGBLAW-ATZDWAIDSA-N 2 2 557.522 5.751 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607086 562905444 /nfs/dbraw/zinc/90/54/44/562905444.db2.gz JDWTWPKCJRCHIA-POURPWNDSA-N 2 2 640.206 5.762 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607086 562905445 /nfs/dbraw/zinc/90/54/45/562905445.db2.gz JDWTWPKCJRCHIA-POURPWNDSA-N 2 2 640.206 5.762 1 0 KKAFLP COc1ccc(Cn2c3ccsc3c(C[NH2+][C@H](C)c3ccccc3)c2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000653796429 562913141 /nfs/dbraw/zinc/91/31/41/562913141.db2.gz SGLAYWKDSWOYPA-AREMUKBSSA-N 2 2 578.782 6.569 1 0 KKAFLP CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=[NH+]1 ZINC000150350032 565202608 /nfs/dbraw/zinc/20/26/08/565202608.db2.gz KUTLSLSLXXZUCR-UHFFFAOYSA-N 2 2 692.833 6.492 1 0 biogenic,in-vitro KKAFLP COc1ccccc1Cc1nc2ccc(-c3nn(C4CCC(C5CC[NH+](C)CC5)CC4)c4nc[nH+]c(N)c34)cc2[nH]1 ZINC000049777851 581096125 /nfs/dbraw/zinc/09/61/25/581096125.db2.gz OBDZFXLPCBGQSA-UHFFFAOYSA-N 2 2 550.711 5.624 1 0 KKAFLP COc1ccccc1Cc1nc2cc(-c3nn(C4CCC(C5CC[NH+](C)CC5)CC4)c4nc[nH+]c(N)c34)ccc2[nH]1 ZINC000049777851 581096126 /nfs/dbraw/zinc/09/61/26/581096126.db2.gz OBDZFXLPCBGQSA-UHFFFAOYSA-N 2 2 550.711 5.624 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000003965097 561691429 /nfs/dbraw/zinc/69/14/29/561691429.db2.gz MKZMTRBKMXDHRV-UHFFFAOYSA-N 2 2 532.780 5.406 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000003965097 561691431 /nfs/dbraw/zinc/69/14/31/561691431.db2.gz MKZMTRBKMXDHRV-UHFFFAOYSA-N 2 2 532.780 5.406 1 0 KKAFLP CN(C)C(=O)C1([NH+]2CCCCC2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000003990362 561693344 /nfs/dbraw/zinc/69/33/44/561693344.db2.gz RVQZVVJLIUXDPN-YTTGMZPUSA-N 2 2 601.619 5.160 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000013471093 561713980 /nfs/dbraw/zinc/71/39/80/561713980.db2.gz INEDRTXKDAPQKU-UHFFFAOYSA-N 2 2 518.753 5.016 1 0 KKAFLP C[NH+]1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000013471093 561713981 /nfs/dbraw/zinc/71/39/81/561713981.db2.gz INEDRTXKDAPQKU-UHFFFAOYSA-N 2 2 518.753 5.016 1 0 KKAFLP Cc1[nH+]c2cc(Cl)c(N3CCN(c4nc(-c5ccc(C)cc5)cs4)CC3)cc2n1CC[NH+]1CCCCC1 ZINC000012470824 561710887 /nfs/dbraw/zinc/71/08/87/561710887.db2.gz PTKWYYZULQHUEI-UHFFFAOYSA-N 2 2 535.161 6.243 3 0 KKAFLP CCCN(c1cccc[nH+]1)C1CC[NH+](C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000013487337 561715146 /nfs/dbraw/zinc/71/51/46/561715146.db2.gz IAIPKBDOARAZEA-LBNVMWSVSA-N 2 2 517.117 5.972 1 0 KKAFLP CNC(=O)c1cc(Oc2ccc3[nH+]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@@H+]5C)c4)[nH]c3c2)ccn1 ZINC000014965246 561749502 /nfs/dbraw/zinc/74/95/02/561749502.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 2 2 540.546 5.345 1 0 KKAFLP CNC(=O)c1cc(Oc2ccc3[nH+]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@H+]5C)c4)[nH]c3c2)ccn1 ZINC000014965246 561749504 /nfs/dbraw/zinc/74/95/04/561749504.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 2 2 540.546 5.345 1 0 KKAFLP C[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)cc[nH+]1)c1ccccc1 ZINC000021289782 561758903 /nfs/dbraw/zinc/75/89/03/561758903.db2.gz ZLQKJFNLHHGAQF-IBGZPJMESA-N 2 2 505.588 6.808 1 0 KKAFLP O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(CCc1ccc(F)cc1)Cc1c[nH+]c[nH]1 ZINC000026653536 561808885 /nfs/dbraw/zinc/80/88/85/561808885.db2.gz YLAGBKMELLGWRV-UHFFFAOYSA-N 2 2 561.510 5.622 1 0 KKAFLP O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(CCc1ccc(F)cc1)Cc1c[nH]c[nH+]1 ZINC000026653536 561808886 /nfs/dbraw/zinc/80/88/86/561808886.db2.gz YLAGBKMELLGWRV-UHFFFAOYSA-N 2 2 561.510 5.622 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CNc2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026717599 561814502 /nfs/dbraw/zinc/81/45/02/561814502.db2.gz UWYFMMJVKGSYOY-UHFFFAOYSA-N 2 2 500.046 6.668 1 0 KKAFLP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H](c2cccc(-n3cc[nH+]c3)c2)C1C(=O)OCC ZINC000026746649 561818940 /nfs/dbraw/zinc/81/89/40/561818940.db2.gz VZJXMGYNIYBWAK-SVNRFNMRSA-N 3 2 514.626 5.186 1 0 KKAFLP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H](c2cccc(-n3cc[nH+]c3)c2)C1C(=O)OCC ZINC000026746649 561818942 /nfs/dbraw/zinc/81/89/42/561818942.db2.gz VZJXMGYNIYBWAK-SVNRFNMRSA-N 3 2 514.626 5.186 1 0 KKAFLP COc1cc(CC(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846818 561826618 /nfs/dbraw/zinc/82/66/18/561826618.db2.gz STZNIAPDQODKPV-PMERELPUSA-N 2 2 669.650 5.228 1 0 KKAFLP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848200 561826900 /nfs/dbraw/zinc/82/69/00/561826900.db2.gz KIZBDFRCUJNMND-LJAQVGFWSA-N 2 2 582.576 5.218 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000026993620 561832792 /nfs/dbraw/zinc/83/27/92/561832792.db2.gz IBLUYABUHMLNBC-JTZWTTIBSA-N 2 2 708.929 5.619 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2n1 ZINC000026993620 561832793 /nfs/dbraw/zinc/83/27/93/561832793.db2.gz IBLUYABUHMLNBC-JTZWTTIBSA-N 2 2 708.929 5.619 1 0 KKAFLP COc1ccccc1[C@H]([C@@H]1CCCCN1C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027440516 561860706 /nfs/dbraw/zinc/86/07/06/561860706.db2.gz RLHGGWYQVKICLX-QCENPCRXSA-N 2 2 625.698 7.348 1 0 KKAFLP COc1ccccc1[C@H]([C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517323 561861099 /nfs/dbraw/zinc/86/10/99/561861099.db2.gz OIPUCUYEXWXJEQ-LMSSTIIKSA-N 2 2 611.671 7.419 1 0 KKAFLP COC(=O)c1cccc(C[N@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C)c3)n2)c1 ZINC000027767390 561884754 /nfs/dbraw/zinc/88/47/54/561884754.db2.gz ZOGPNWQQEVASDS-UHFFFAOYSA-N 2 2 648.770 6.372 1 0 KKAFLP COC(=O)c1cccc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CC[NH2+]CCCO)Cc3cccc(C)c3)n2)c1 ZINC000027767390 561884757 /nfs/dbraw/zinc/88/47/57/561884757.db2.gz ZOGPNWQQEVASDS-UHFFFAOYSA-N 2 2 648.770 6.372 1 0 KKAFLP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCOCC1 ZINC000028225150 561907754 /nfs/dbraw/zinc/90/77/54/561907754.db2.gz VRTXCWRCLYTNCU-UHFFFAOYSA-N 2 2 558.744 6.180 1 0 KKAFLP COc1ccc(-c2nc3n(c2C[N@H+](C)C2CC[NH+](C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000028237639 561910046 /nfs/dbraw/zinc/91/00/46/561910046.db2.gz QZOGVIUKUHMTRT-UHFFFAOYSA-N 2 2 623.729 5.589 1 0 KKAFLP COc1ccc(-c2nc3n(c2C[N@@H+](C)C2CC[NH+](C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000028237639 561910048 /nfs/dbraw/zinc/91/00/48/561910048.db2.gz QZOGVIUKUHMTRT-UHFFFAOYSA-N 2 2 623.729 5.589 1 0 KKAFLP O=C(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028389148 561921773 /nfs/dbraw/zinc/92/17/73/561921773.db2.gz WEHDDBQMVJPZHJ-UHFFFAOYSA-N 2 2 622.153 6.965 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@H+](C)CC3 ZINC000028538569 561935100 /nfs/dbraw/zinc/93/51/00/561935100.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@@H+](C)CC3 ZINC000028538569 561935101 /nfs/dbraw/zinc/93/51/01/561935101.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000028538569 561935103 /nfs/dbraw/zinc/93/51/03/561935103.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000028538569 561935105 /nfs/dbraw/zinc/93/51/05/561935105.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565136 561935933 /nfs/dbraw/zinc/93/59/33/561935933.db2.gz GEQAHGXLBPYTMU-UHFFFAOYSA-N 2 2 613.616 5.310 1 0 KKAFLP Cc1ccc(NC(=O)c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571537 561939374 /nfs/dbraw/zinc/93/93/74/561939374.db2.gz KUNOALCWXLLCES-NRFANRHFSA-N 2 2 590.654 5.640 1 0 KKAFLP Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571537 561939375 /nfs/dbraw/zinc/93/93/75/561939375.db2.gz KUNOALCWXLLCES-NRFANRHFSA-N 2 2 590.654 5.640 1 0 KKAFLP C[NH2+]C1CCC(Cn2c3ccccc3c3c2[C@H](Oc2ccc(Cl)cc2)C[C@@H](N2CC[NH+](C)CC2)C3=O)CC1 ZINC000028572524 561940185 /nfs/dbraw/zinc/94/01/85/561940185.db2.gz PBHGXPVLHMQKRM-YFIJLVJFSA-N 2 2 535.132 5.395 1 0 KKAFLP COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CC[NH+](Cc4ccc(-n5cc[nH+]c5)cc4)CC3)C2=O)c1 ZINC000028704459 561948599 /nfs/dbraw/zinc/94/85/99/561948599.db2.gz WIFGAYBFSSWCPA-UHFFFAOYSA-N 2 2 539.611 5.024 1 0 KKAFLP O=C(Cc1c(Cl)cccc1Cl)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714022 561954439 /nfs/dbraw/zinc/95/44/39/561954439.db2.gz WPNNHHPIWBXSBY-UHFFFAOYSA-N 2 2 548.946 5.364 1 0 KKAFLP O=C(Cc1c(Cl)cccc1Cl)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714022 561954440 /nfs/dbraw/zinc/95/44/40/561954440.db2.gz WPNNHHPIWBXSBY-UHFFFAOYSA-N 2 2 548.946 5.364 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3cccnc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823423 561968088 /nfs/dbraw/zinc/96/80/88/561968088.db2.gz HCNXTVJEULZIBE-UHFFFAOYSA-N 2 2 518.750 6.585 1 0 KKAFLP CC(=O)c1ccc(CNc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823427 561968112 /nfs/dbraw/zinc/96/81/12/561968112.db2.gz ISAQVBBROFXTSA-UHFFFAOYSA-N 2 2 573.826 7.261 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889643 561978014 /nfs/dbraw/zinc/97/80/14/561978014.db2.gz FXNLHVHHXHWVOF-FNZWTVRRSA-N 2 2 535.063 5.575 1 0 KKAFLP Nc1[nH+]cnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4ccccn4)cc3-c3ccccc3)cc2)CC1 ZINC000029125572 561997805 /nfs/dbraw/zinc/99/78/05/561997805.db2.gz GJTDWTDYXNLZFY-UHFFFAOYSA-N 2 2 538.659 6.037 1 0 KKAFLP c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)C[NH2+]C[C@H]3OCC[NH+]3CCOCC3)cc2)cc1 ZINC000029208103 562005401 /nfs/dbraw/zinc/00/54/01/562005401.db2.gz QPDCVHOOSRJVPI-XWTVRQILSA-N 2 2 610.795 5.815 1 0 KKAFLP c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)C[NH2+]C[C@H]3COCC[NH+]3CCOCC3)cc2)cc1 ZINC000029207806 562005442 /nfs/dbraw/zinc/00/54/42/562005442.db2.gz BGAWAKUWOBKLJF-MINDXDAISA-N 2 2 624.822 6.063 1 0 KKAFLP O=C(CCCCCCCCCCC[NH+]1CCCCC1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029408332 562021219 /nfs/dbraw/zinc/02/12/19/562021219.db2.gz ZTBDUEBTWDKVEU-UHFFFAOYSA-N 3 2 717.830 9.632 1 0 KKAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000029466612 562024484 /nfs/dbraw/zinc/02/44/84/562024484.db2.gz XKTURQTUCWIGCW-UHFFFAOYSA-N 2 2 681.322 5.668 1 0 KKAFLP CC(C)(Cc1[nH]cc[nH+]1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803773 562042556 /nfs/dbraw/zinc/04/25/56/562042556.db2.gz XKJFSQKYOGSARJ-PZGXJGMVSA-N 2 2 520.637 5.206 1 0 KKAFLP CCCCCCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036284903 562053511 /nfs/dbraw/zinc/05/35/11/562053511.db2.gz FCUDPMSGYHNKHY-AJQTZOPKSA-N 3 2 608.271 5.181 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cccc(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157904 562069861 /nfs/dbraw/zinc/06/98/61/562069861.db2.gz KLCOZLYYGBILED-UHFFFAOYSA-N 2 2 540.510 7.262 1 0 KKAFLP COC(=O)[C@](CCC[N@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040881097 562082596 /nfs/dbraw/zinc/08/25/96/562082596.db2.gz PPUATJSILURJNL-NDEPHWFRSA-N 2 2 528.535 6.354 1 0 KKAFLP COC(=O)[C@](CCC[N@@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040881097 562082599 /nfs/dbraw/zinc/08/25/99/562082599.db2.gz PPUATJSILURJNL-NDEPHWFRSA-N 2 2 528.535 6.354 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@H+](C)CC5 ZINC000042802834 562087813 /nfs/dbraw/zinc/08/78/13/562087813.db2.gz GOYCVNCWKXBQBF-SVBPBHIXSA-N 2 2 562.666 6.948 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC5 ZINC000042802834 562087815 /nfs/dbraw/zinc/08/78/15/562087815.db2.gz GOYCVNCWKXBQBF-SVBPBHIXSA-N 2 2 562.666 6.948 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC5 ZINC000042802834 562087817 /nfs/dbraw/zinc/08/78/17/562087817.db2.gz GOYCVNCWKXBQBF-SVBPBHIXSA-N 2 2 562.666 6.948 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH+](C)CC5 ZINC000042802834 562087818 /nfs/dbraw/zinc/08/78/18/562087818.db2.gz GOYCVNCWKXBQBF-SVBPBHIXSA-N 2 2 562.666 6.948 1 0 biogenic,in-vitro KKAFLP C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044031839 562651696 /nfs/dbraw/zinc/65/16/96/562651696.db2.gz RTJZMWSCHLSZOW-IZEXYCQBSA-N 2 2 591.196 6.780 1 0 KKAFLP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000044031839 562651697 /nfs/dbraw/zinc/65/16/97/562651697.db2.gz RTJZMWSCHLSZOW-IZEXYCQBSA-N 2 2 591.196 6.780 1 0 KKAFLP Cc1ccc(Nc2nc(NC3CCCCC3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044307748 562654075 /nfs/dbraw/zinc/65/40/75/562654075.db2.gz LOSVOJUNSMFPLR-UHFFFAOYSA-N 2 2 572.161 6.104 1 0 KKAFLP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658867 /nfs/dbraw/zinc/65/88/67/562658867.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 2 2 503.691 5.557 1 0 KKAFLP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658868 /nfs/dbraw/zinc/65/88/68/562658868.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 2 2 503.691 5.557 1 0 KKAFLP Nc1ccc2[nH]cc(C3CC[NH+](CCC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)c2[nH+]1 ZINC000045227378 562659405 /nfs/dbraw/zinc/65/94/05/562659405.db2.gz VERZJMLYUPWIIW-QHHAFSJGSA-N 2 2 526.512 5.973 1 0 KKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000045320115 562660991 /nfs/dbraw/zinc/66/09/91/562660991.db2.gz YAPPCPXCPKDGIM-UHFFFAOYSA-N 2 2 526.660 5.606 1 0 KKAFLP Clc1cc2c(Nc3ccc(Oc4ccccc4)cc3)cc[nH+]c2cc1-c1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000048308928 562663157 /nfs/dbraw/zinc/66/31/57/562663157.db2.gz VFOQJTKFOUNMGU-UHFFFAOYSA-N 2 2 555.078 7.106 1 0 KKAFLP COc1cc2ccccc2cc1OCCCN1CC[NH+](C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000049605210 562665513 /nfs/dbraw/zinc/66/55/13/562665513.db2.gz YMYIGUPBKRNGHH-WJOKGBTCSA-N 2 2 548.747 5.141 1 0 KKAFLP C[C@@H]1CCCC[N@@H+]1CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c1)nn2C ZINC000049625512 562666800 /nfs/dbraw/zinc/66/68/00/562666800.db2.gz BZILAFGVDGIZFW-QGZVFWFLSA-N 2 2 602.612 6.648 1 0 KKAFLP C[C@@H]1CCCC[N@H+]1CCCNc1nc2c(c[nH+]1)c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c1)nn2C ZINC000049625512 562666801 /nfs/dbraw/zinc/66/68/01/562666801.db2.gz BZILAFGVDGIZFW-QGZVFWFLSA-N 2 2 602.612 6.648 1 0 KKAFLP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)[nH+]c(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049626257 562667124 /nfs/dbraw/zinc/66/71/24/562667124.db2.gz DCDWCNUCVKJWMT-UHFFFAOYSA-N 3 2 555.609 6.715 1 0 KKAFLP CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]([NH2+]CCc3c[nH+]c[nH]3)[C@@]2(O)C1 ZINC000049677954 562668401 /nfs/dbraw/zinc/66/84/01/562668401.db2.gz NSCFUDVEMNKSCV-DZVAOWLISA-N 2 2 555.848 6.688 1 0 KKAFLP CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]([NH2+]CCc3c[nH]c[nH+]3)[C@@]2(O)C1 ZINC000049677954 562668402 /nfs/dbraw/zinc/66/84/02/562668402.db2.gz NSCFUDVEMNKSCV-DZVAOWLISA-N 2 2 555.848 6.688 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C1=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 ZINC000049710697 562671801 /nfs/dbraw/zinc/67/18/01/562671801.db2.gz OCAITHWZDZINCE-OPUKXVLKSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C1=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 ZINC000049710697 562671802 /nfs/dbraw/zinc/67/18/02/562671802.db2.gz OCAITHWZDZINCE-OPUKXVLKSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C1=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 ZINC000049710697 562671803 /nfs/dbraw/zinc/67/18/03/562671803.db2.gz OCAITHWZDZINCE-OPUKXVLKSA-N 3 2 582.833 6.046 1 0 KKAFLP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C1=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 ZINC000049710697 562671804 /nfs/dbraw/zinc/67/18/04/562671804.db2.gz OCAITHWZDZINCE-OPUKXVLKSA-N 3 2 582.833 6.046 1 0 KKAFLP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CCC[N@@H+](C)CC7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049722697 562672384 /nfs/dbraw/zinc/67/23/84/562672384.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 3 2 541.699 6.412 1 0 KKAFLP Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6[nH+]ccc(N7CCC[N@H+](C)CC7)c6cc54)cccc23)cc(C)[nH+]1 ZINC000049722697 562672385 /nfs/dbraw/zinc/67/23/85/562672385.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 3 2 541.699 6.412 1 0 KKAFLP CC(C)(C)c1ccc(C[NH2+]CCOc2ccc(Nc3nnc(-c4ccc(-c5[nH]cc[nH+]5)cc4)o3)c3ccccc23)cc1 ZINC000049722873 562672644 /nfs/dbraw/zinc/67/26/44/562672644.db2.gz XQJULYIOUVJATD-UHFFFAOYSA-N 2 2 558.686 7.490 1 0 KKAFLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049723104 562672952 /nfs/dbraw/zinc/67/29/52/562672952.db2.gz UQUYCTYOXNKVBN-SFHVURJKSA-N 2 2 529.306 5.091 1 0 KKAFLP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049723104 562672953 /nfs/dbraw/zinc/67/29/53/562672953.db2.gz UQUYCTYOXNKVBN-SFHVURJKSA-N 2 2 529.306 5.091 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CC[NH+](Cc5ccccc5)CC4)CC3)c2c1 ZINC000049723230 562673101 /nfs/dbraw/zinc/67/31/01/562673101.db2.gz KWOJGLWJTMKOGT-PIZIKKFZSA-N 2 2 633.793 5.163 1 0 KKAFLP COc1ccc(Cn2c3ccc(C(=O)NCC[NH+]4CCCC4)cc3[nH+]c2Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000049723311 562673221 /nfs/dbraw/zinc/67/32/21/562673221.db2.gz DSVTYFNTJQFYIZ-UHFFFAOYSA-N 2 2 572.031 6.335 1 0 KKAFLP O=C([C@@H]1COc2ccccc2O1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049745392 562673842 /nfs/dbraw/zinc/67/38/42/562673842.db2.gz LALWPXBJMSLKPS-HKBQPEDESA-N 2 2 579.726 5.555 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746763 562674598 /nfs/dbraw/zinc/67/45/98/562674598.db2.gz FTWKOTDTSQWSAL-UHFFFAOYSA-N 2 2 606.837 5.648 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCCCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746763 562674599 /nfs/dbraw/zinc/67/45/99/562674599.db2.gz FTWKOTDTSQWSAL-UHFFFAOYSA-N 2 2 606.837 5.648 1 0 KKAFLP [NH3+]C[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000049771176 562677973 /nfs/dbraw/zinc/67/79/73/562677973.db2.gz SEAPOIHTRUNNQK-AXYJRABVSA-N 3 2 679.997 6.922 1 0 KKAFLP [NH3+]C[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000049771176 562677974 /nfs/dbraw/zinc/67/79/74/562677974.db2.gz SEAPOIHTRUNNQK-AXYJRABVSA-N 3 2 679.997 6.922 1 0 KKAFLP OCC[NH2+]Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3ccn12 ZINC000049823083 562686979 /nfs/dbraw/zinc/68/69/79/562686979.db2.gz VAUFUYIXMLRDFA-UHFFFAOYSA-N 2 2 636.764 5.253 1 0 KKAFLP OCC[NH2+]Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000049823083 562686980 /nfs/dbraw/zinc/68/69/80/562686980.db2.gz VAUFUYIXMLRDFA-UHFFFAOYSA-N 2 2 636.764 5.253 1 0 KKAFLP OCC[NH2+]Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3ccn12 ZINC000049823083 562686981 /nfs/dbraw/zinc/68/69/81/562686981.db2.gz VAUFUYIXMLRDFA-UHFFFAOYSA-N 2 2 636.764 5.253 1 0 KKAFLP CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3[nH+]c2Nc2cc(C(=O)Nc3cccc(C)c3)ccc2C)ncn1 ZINC000049872012 562689686 /nfs/dbraw/zinc/68/96/86/562689686.db2.gz MFMWEMNCORMIPH-UHFFFAOYSA-N 2 2 576.749 6.962 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696950 /nfs/dbraw/zinc/69/69/50/562696950.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 2 2 539.095 5.665 1 0 KKAFLP O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH+]c4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696951 /nfs/dbraw/zinc/69/69/51/562696951.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 2 2 539.095 5.665 1 0 KKAFLP CN1CC[NH+](C2CCN(c3cc(-n4cc[nH+]c4Nc4cc(Nc5ccc(OC(F)(F)F)cc5)ncn4)cc(C(F)(F)F)c3)CC2)CC1 ZINC000058548729 562699167 /nfs/dbraw/zinc/69/91/67/562699167.db2.gz XRJHLPFKTVKRNL-UHFFFAOYSA-N 2 2 661.655 6.283 1 0 KKAFLP CC(=O)N(C)c1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583775 562700182 /nfs/dbraw/zinc/70/01/82/562700182.db2.gz IWCXDKZJMJIYKW-UHFFFAOYSA-N 2 2 516.089 6.343 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000058592486 562700573 /nfs/dbraw/zinc/70/05/73/562700573.db2.gz BLTSSHCGYRGBOC-UHFFFAOYSA-N 2 2 565.640 6.623 1 0 KKAFLP Clc1ccc2c(Nc3cccc(Nc4nc(NCCC[NH+]5CCOCC5)nc(Nc5ccccc5)n4)c3)cc[nH+]c2c1 ZINC000066065974 562709265 /nfs/dbraw/zinc/70/92/65/562709265.db2.gz BIRAXDOTGTVICD-UHFFFAOYSA-N 2 2 582.112 6.438 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073980 562709597 /nfs/dbraw/zinc/70/95/97/562709597.db2.gz PASMKWHBPPXXIM-YAZNYETNSA-N 2 2 542.749 6.007 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073980 562709598 /nfs/dbraw/zinc/70/95/98/562709598.db2.gz PASMKWHBPPXXIM-YAZNYETNSA-N 2 2 542.749 6.007 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)CO)CC1 ZINC000071280656 562716547 /nfs/dbraw/zinc/71/65/47/562716547.db2.gz IBTNQJYKQQGHQP-FITHBNAOSA-N 2 2 528.741 5.482 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)CO)CC1 ZINC000071280656 562716548 /nfs/dbraw/zinc/71/65/48/562716548.db2.gz IBTNQJYKQQGHQP-FITHBNAOSA-N 2 2 528.741 5.482 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nc(=S)o[nH]3)c2)CC1 ZINC000071294871 562717034 /nfs/dbraw/zinc/71/70/34/562717034.db2.gz WHZHFIXHFVIZHI-BETPUDKTSA-N 2 2 632.834 7.116 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nc(=S)o[nH]3)c2)CC1 ZINC000071294871 562717035 /nfs/dbraw/zinc/71/70/35/562717035.db2.gz WHZHFIXHFVIZHI-BETPUDKTSA-N 2 2 632.834 7.116 1 0 KKAFLP C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)[NH+]1CCC([C@H](Oc2cc[nH+]cc2)c2ccc(Br)cc2)CC1 ZINC000071296899 562717632 /nfs/dbraw/zinc/71/76/32/562717632.db2.gz AOUQIZRTIMIHNA-HFJWLAOPSA-N 2 2 592.365 6.587 1 0 KKAFLP COc1cc2c(cc1OCCC[NH+]1CCCCC1)[nH+]c(N1CCCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116983 562723282 /nfs/dbraw/zinc/72/32/82/562723282.db2.gz JCPFHRAFMALJIB-UHFFFAOYSA-N 3 2 538.781 5.558 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726172 /nfs/dbraw/zinc/72/61/72/562726172.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 2 2 696.264 7.080 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726173 /nfs/dbraw/zinc/72/61/73/562726173.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 2 2 696.264 7.080 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)CC1 ZINC000072128776 562726355 /nfs/dbraw/zinc/72/63/55/562726355.db2.gz ZLWQWQHSUOIEMO-ZVBBVAIHSA-N 2 2 682.237 6.356 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)CC1 ZINC000072128776 562726356 /nfs/dbraw/zinc/72/63/56/562726356.db2.gz ZLWQWQHSUOIEMO-ZVBBVAIHSA-N 2 2 682.237 6.356 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000072129837 562726460 /nfs/dbraw/zinc/72/64/60/562726460.db2.gz QDNYTPPKWHGRTA-BWMKXQIXSA-N 2 2 678.274 6.941 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000072129837 562726461 /nfs/dbraw/zinc/72/64/61/562726461.db2.gz QDNYTPPKWHGRTA-BWMKXQIXSA-N 2 2 678.274 6.941 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(O)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129851 562726499 /nfs/dbraw/zinc/72/64/99/562726499.db2.gz OPNZVJCPRYEKIM-FITHBNAOSA-N 2 2 662.256 5.783 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(O)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129851 562726500 /nfs/dbraw/zinc/72/65/00/562726500.db2.gz OPNZVJCPRYEKIM-FITHBNAOSA-N 2 2 662.256 5.783 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cc(Cl)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129944 562726594 /nfs/dbraw/zinc/72/65/94/562726594.db2.gz QIWBAGAFCNFWSW-ULJKERAFSA-N 2 2 715.147 7.385 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(Cl)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129944 562726595 /nfs/dbraw/zinc/72/65/95/562726595.db2.gz QIWBAGAFCNFWSW-ULJKERAFSA-N 2 2 715.147 7.385 1 0 KKAFLP COc1cc2c(cc1OC)CN(c1cc[n+](Cc3cccc(C[n+]4ccc(N5CCc6cc(OC)c(OC)cc6C5)cc4)c3)cc1)CC2 ZINC000072133989 562727112 /nfs/dbraw/zinc/72/71/12/562727112.db2.gz WHCYHWPIJSUBME-UHFFFAOYSA-N 2 2 644.816 5.518 1 0 KKAFLP COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)[nH+]c2)C2CC2)c(Cl)cn1 ZINC000072147608 562729754 /nfs/dbraw/zinc/72/97/54/562729754.db2.gz OVAYUYZHPUCXTA-NLDZOOGBSA-N 2 2 687.112 6.866 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(C[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000073198724 562735830 /nfs/dbraw/zinc/73/58/30/562735830.db2.gz GNTTUIJPNYTMAD-MGBGTMOVSA-N 2 2 617.190 5.074 1 0 KKAFLP COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(C[NH2+]C3CC3)ccc2Cl)C2CC2)cc1 ZINC000082140719 562739573 /nfs/dbraw/zinc/73/95/73/562739573.db2.gz NVFLGLBQTPKSRR-MGBGTMOVSA-N 2 2 647.216 5.082 1 0 KKAFLP CNc1nc(NCc2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2[nH+]1 ZINC000084616867 562744680 /nfs/dbraw/zinc/74/46/80/562744680.db2.gz YXPQMNZUCFFYIX-UHFFFAOYSA-N 2 2 512.633 5.126 1 0 KKAFLP O=C(CC[NH+]1CCOCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CC[NH+]5CCOCC5)cc4)c3)c2)cc1 ZINC000095542975 562757000 /nfs/dbraw/zinc/75/70/00/562757000.db2.gz PDVKBXVGFMTRMA-UHFFFAOYSA-N 2 2 762.868 5.157 1 0 KKAFLP Clc1ccc2c(NCCCC[NH2+]Cc3ccc(-c4ccc(-c5ccc(C[NH2+]CCCCNc6cc[nH+]c7cc(Cl)ccc67)cc5)s4)cc3)cc[nH+]c2c1 ZINC000095551702 562760386 /nfs/dbraw/zinc/76/03/86/562760386.db2.gz YADTUKIPRCONOT-UHFFFAOYSA-N 4 2 759.851 11.449 1 0 KKAFLP Cc1cc(NC2CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NC5CC5)cc(C)[nH+]4)cc3)cc2)[nH+]1 ZINC000095593411 562776239 /nfs/dbraw/zinc/77/62/39/562776239.db2.gz APGWQWGUUJLHMH-UHFFFAOYSA-N 2 2 580.737 7.147 1 0 KKAFLP C#[N+]c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174072 562791644 /nfs/dbraw/zinc/79/16/44/562791644.db2.gz QCILIJCSIGOYNO-UHFFFAOYSA-N 2 2 538.615 5.562 1 0 KKAFLP CC(C)(C)n1nnnc1[C@@H]([NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccc2ccccc21 ZINC000096915637 562801013 /nfs/dbraw/zinc/80/10/13/562801013.db2.gz RFCTUYDDYFISRH-SANMLTNESA-N 2 2 500.050 5.964 1 0 KKAFLP CN1CC[NH+](CCCNc2cccc(-c3ncc(-c4cccc(-c5cnc(-c6cccc(NCCC[NH+]7CCN(C)CC7)c6)o5)c4)o3)c2)CC1 ZINC000096935082 562804016 /nfs/dbraw/zinc/80/40/16/562804016.db2.gz WVLUTDZKMSAWGU-UHFFFAOYSA-N 2 2 674.894 6.429 1 0 KKAFLP CN1CC[NH+](CCCNc2cccc(-c3ncc(-c4cccc(-c5cnc(-c6cccc(NCCCN7CC[NH+](C)CC7)c6)o5)c4)o3)c2)CC1 ZINC000096935082 562804017 /nfs/dbraw/zinc/80/40/17/562804017.db2.gz WVLUTDZKMSAWGU-UHFFFAOYSA-N 2 2 674.894 6.429 1 0 KKAFLP CC1CC[NH+](CCOc2ccc(NCc3c[nH+]cn3Cc3ccc(-c4ccccc4)cc3)cc2-c2ccccc2)CC1 ZINC000096937940 562804371 /nfs/dbraw/zinc/80/43/71/562804371.db2.gz CGRYHFGODJBLHH-UHFFFAOYSA-N 2 2 556.754 7.988 1 0 KKAFLP N=C(Nc1cccc(CO[C@@H]2C[NH2+][C@H](COCc3cccc(NC(=[NH2+])c4cccs4)c3)C2)c1)c1cccs1 ZINC000098208545 562806014 /nfs/dbraw/zinc/80/60/14/562806014.db2.gz GPVRORSBZUBDJB-DQEYMECFSA-N 2 2 545.734 6.148 1 0 in-vitro KKAFLP N=C(Nc1cccc(COC[C@@H]2C[C@H](OCc3cccc(NC(=[NH2+])c4cccs4)c3)C[NH2+]2)c1)c1cccs1 ZINC000098208545 562806015 /nfs/dbraw/zinc/80/60/15/562806015.db2.gz GPVRORSBZUBDJB-DQEYMECFSA-N 2 2 545.734 6.148 1 0 in-vitro KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 ZINC000101193465 562809802 /nfs/dbraw/zinc/80/98/02/562809802.db2.gz UGRIWINFSBETFP-KUMHGWDASA-N 2 2 527.757 6.445 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 ZINC000101193465 562809803 /nfs/dbraw/zinc/80/98/03/562809803.db2.gz UGRIWINFSBETFP-KUMHGWDASA-N 2 2 527.757 6.445 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncco2)CC1 ZINC000101193457 562809822 /nfs/dbraw/zinc/80/98/22/562809822.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 3 2 509.698 6.125 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ncco2)CC1 ZINC000101193457 562809823 /nfs/dbraw/zinc/80/98/23/562809823.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 3 2 509.698 6.125 1 0 KKAFLP COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CC[N@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)[nH+]c5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193583 562809840 /nfs/dbraw/zinc/80/98/40/562809840.db2.gz PQQXVQHDJSFGPZ-ZXFZPVEDSA-N 2 2 592.784 6.771 1 0 KKAFLP COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CC[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)[nH+]c5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193583 562809841 /nfs/dbraw/zinc/80/98/41/562809841.db2.gz PQQXVQHDJSFGPZ-ZXFZPVEDSA-N 2 2 592.784 6.771 1 0 KKAFLP COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[N@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)[nH+]c5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193581 562809895 /nfs/dbraw/zinc/80/98/95/562809895.db2.gz PQQXVQHDJSFGPZ-OJMYRGQXSA-N 2 2 592.784 6.771 1 0 KKAFLP COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)[nH+]c5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193581 562809896 /nfs/dbraw/zinc/80/98/96/562809896.db2.gz PQQXVQHDJSFGPZ-OJMYRGQXSA-N 2 2 592.784 6.771 1 0 KKAFLP CC(C)N1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367543 562810436 /nfs/dbraw/zinc/81/04/36/562810436.db2.gz PAFOOYBINUNMGT-ZRZAMGCNSA-N 2 2 586.144 6.123 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844981 562813416 /nfs/dbraw/zinc/81/34/16/562813416.db2.gz SBQOMISLKZTLHT-OUOZDZGXSA-N 2 2 512.742 6.509 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844981 562813417 /nfs/dbraw/zinc/81/34/17/562813417.db2.gz SBQOMISLKZTLHT-OUOZDZGXSA-N 2 2 512.742 6.509 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233191 562818476 /nfs/dbraw/zinc/81/84/76/562818476.db2.gz FIRZNJXYNWMNLA-LGKQTMLJSA-N 2 2 611.658 8.569 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233191 562818477 /nfs/dbraw/zinc/81/84/77/562818477.db2.gz FIRZNJXYNWMNLA-LGKQTMLJSA-N 2 2 611.658 8.569 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233995 562818507 /nfs/dbraw/zinc/81/85/07/562818507.db2.gz WWGGKYRBPACAIT-GRJQRVBMSA-N 2 2 546.759 7.167 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233995 562818508 /nfs/dbraw/zinc/81/85/08/562818508.db2.gz WWGGKYRBPACAIT-GRJQRVBMSA-N 2 2 546.759 7.167 1 0 KKAFLP CC(C)(C)CC[N@@H+]1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261481 562821359 /nfs/dbraw/zinc/82/13/59/562821359.db2.gz RPZBTBIEZRHXHF-HHHXNRCGSA-N 2 2 518.624 5.099 1 0 KKAFLP CC(C)(C)CC[N@H+]1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000103261481 562821360 /nfs/dbraw/zinc/82/13/60/562821360.db2.gz RPZBTBIEZRHXHF-HHHXNRCGSA-N 2 2 518.624 5.099 1 0 KKAFLP Cc1ccc(C[N@@H+](CC[NH2+]C(C)C)C(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265817 562822142 /nfs/dbraw/zinc/82/21/42/562822142.db2.gz MGCNTUJWIOZUOH-UHFFFAOYSA-N 2 2 634.747 7.863 1 0 KKAFLP Cc1ccc(C[N@H+](CC[NH2+]C(C)C)C(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265817 562822143 /nfs/dbraw/zinc/82/21/43/562822143.db2.gz MGCNTUJWIOZUOH-UHFFFAOYSA-N 2 2 634.747 7.863 1 0 KKAFLP CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000105485377 562825306 /nfs/dbraw/zinc/82/53/06/562825306.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 2 548.639 6.645 1 0 KKAFLP CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@@H+]1C)O3)O4 ZINC000105485377 562825307 /nfs/dbraw/zinc/82/53/07/562825307.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CC[N@H+]1C)O3)O4 ZINC000105485377 562825308 /nfs/dbraw/zinc/82/53/08/562825308.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc(O)c(c2O4)O3)CC[N@H+]1C ZINC000105485377 562825310 /nfs/dbraw/zinc/82/53/10/562825310.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 2 548.639 6.645 1 0 KKAFLP C[NH+]1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc(O)c(c2O4)O3)CC[N@@H+]1C ZINC000105485377 562825311 /nfs/dbraw/zinc/82/53/11/562825311.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 2 548.639 6.645 1 0 KKAFLP CO[C@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000114037378 562827130 /nfs/dbraw/zinc/82/71/30/562827130.db2.gz UCTVEWRBYCEHHU-HRTMPFAESA-N 2 2 554.518 6.951 1 0 KKAFLP CO[C@H]1CC[N@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000114037378 562827131 /nfs/dbraw/zinc/82/71/31/562827131.db2.gz UCTVEWRBYCEHHU-HRTMPFAESA-N 2 2 554.518 6.951 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000114038267 562827211 /nfs/dbraw/zinc/82/72/11/562827211.db2.gz IRKOIFAPGAXTQZ-UHFFFAOYSA-N 2 2 505.981 5.493 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(CC[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000114037948 562827259 /nfs/dbraw/zinc/82/72/59/562827259.db2.gz HFTUIMLWYJSWFN-UHFFFAOYSA-N 2 2 516.041 6.710 1 0 KKAFLP C[NH+](C)CCN1CCC(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000114038029 562827290 /nfs/dbraw/zinc/82/72/90/562827290.db2.gz VGVPCQQEFRJMRG-UHFFFAOYSA-N 2 2 527.496 5.945 1 0 KKAFLP CCCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC000114039185 562827413 /nfs/dbraw/zinc/82/74/13/562827413.db2.gz ZQVPBPZIPGSCOP-UHFFFAOYSA-N 2 2 520.008 5.931 1 0 KKAFLP O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)cc[nH+]1)[C@@]12CCC[C@@H]1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC000150185420 562842943 /nfs/dbraw/zinc/84/29/43/562842943.db2.gz HIRGLWUBWALBPY-YXDMQEJXSA-N 2 2 538.658 5.718 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000150556212 562844750 /nfs/dbraw/zinc/84/47/50/562844750.db2.gz NQKJHRLGLXNOLL-JZTDQRQXSA-N 2 2 643.829 6.000 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000150556212 562844751 /nfs/dbraw/zinc/84/47/51/562844751.db2.gz NQKJHRLGLXNOLL-JZTDQRQXSA-N 2 2 643.829 6.000 1 0 KKAFLP C[NH+](C)[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](c5ccccc5)[NH+](C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150598515 562846885 /nfs/dbraw/zinc/84/68/85/562846885.db2.gz IUKDDNWJLHYBGC-IWWWZYECSA-N 2 2 746.960 8.067 1 0 KKAFLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150604881 562847691 /nfs/dbraw/zinc/84/76/91/562847691.db2.gz VDCODAIUOGXXGK-UHFFFAOYSA-N 2 2 658.769 8.105 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150619244 562848851 /nfs/dbraw/zinc/84/88/51/562848851.db2.gz ZIMSQZUTUQQLNQ-CLEHTCQTSA-N 2 2 653.893 6.478 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150619244 562848852 /nfs/dbraw/zinc/84/88/52/562848852.db2.gz ZIMSQZUTUQQLNQ-CLEHTCQTSA-N 2 2 653.893 6.478 1 0 KKAFLP OCCN1CC[NH+](CCCC/[NH+]=c2\cc(C34CC5CC(CC(C5)C3)C4)sc3ccc(Br)cc32)CC1 ZINC000169316889 562855847 /nfs/dbraw/zinc/85/58/47/562855847.db2.gz OKIXLIZKMSBJQC-GKPLWNPISA-N 2 2 558.630 5.422 1 0 KKAFLP COc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000169323801 562857181 /nfs/dbraw/zinc/85/71/81/562857181.db2.gz PYCASUWVQBLTJY-UHFFFAOYSA-N 2 2 612.138 6.447 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(Nc3ccc(OC)c(OC)c3)n2)CC1 ZINC000169323809 562857196 /nfs/dbraw/zinc/85/71/96/562857196.db2.gz CCRLZYNFEYEJMH-UHFFFAOYSA-N 2 2 612.138 6.463 1 0 KKAFLP [NH3+][C@@H]1Cc2cc(Br)c(c(Br)c2)Oc2cc(ccc2O)C[C@H]([NH3+])C(=O)NCCc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O ZINC000169325363 562857602 /nfs/dbraw/zinc/85/76/02/562857602.db2.gz SYPOKFWXIHNJNU-IZZNHLLZSA-N 2 2 991.164 7.266 1 0 KKAFLP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327034 562857993 /nfs/dbraw/zinc/85/79/93/562857993.db2.gz RZNLNFCKHCRFDR-UHFFFAOYSA-N 3 2 585.631 5.144 1 0 KKAFLP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327034 562857994 /nfs/dbraw/zinc/85/79/94/562857994.db2.gz RZNLNFCKHCRFDR-UHFFFAOYSA-N 3 2 585.631 5.144 1 0 KKAFLP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1c[nH+]c2cc(C)c(C)cc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327049 562858050 /nfs/dbraw/zinc/85/80/50/562858050.db2.gz ROULIUKQCIWCET-UHFFFAOYSA-N 3 2 663.745 6.914 1 0 KKAFLP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1c[nH+]c2cc(C)c(C)cc21)Cc1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2 ZINC000169327049 562858051 /nfs/dbraw/zinc/85/80/51/562858051.db2.gz ROULIUKQCIWCET-UHFFFAOYSA-N 3 2 663.745 6.914 1 0 KKAFLP COc1ccc(-c2nc3cc(-c4[nH]c5ccc(N6CCN(c7cc[nH+]cc7)CC6)cc5[nH+]4)ccc3[nH]2)cc1OC ZINC000169352833 562863269 /nfs/dbraw/zinc/86/32/69/562863269.db2.gz ATVJCVBIWJSLCQ-UHFFFAOYSA-N 2 2 531.620 5.512 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000201531433 562873520 /nfs/dbraw/zinc/87/35/20/562873520.db2.gz SZUYKWJBTMCMES-GOSISDBHSA-N 2 2 520.008 6.059 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000203796967 562874123 /nfs/dbraw/zinc/87/41/23/562874123.db2.gz WKKSKJNWVQVTNS-IBGZPJMESA-N 2 2 518.017 5.538 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N[C@@H]5CC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000219364903 562878135 /nfs/dbraw/zinc/87/81/35/562878135.db2.gz ORPGXVNRNICFAJ-HXUWFJFHSA-N 2 2 530.028 5.775 1 0 KKAFLP Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCC([NH3+])CC2)[nH+]1 ZINC000222003292 562879495 /nfs/dbraw/zinc/87/94/95/562879495.db2.gz VFXYUDAAKURMHR-UHFFFAOYSA-N 2 2 500.632 5.224 1 0 KKAFLP CNc1nc(-c2ccc(CCN3CC[NH+](CCCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299823906 562883131 /nfs/dbraw/zinc/88/31/31/562883131.db2.gz BZNNROKOWBVMOZ-UHFFFAOYSA-N 2 2 608.900 6.199 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299839605 562888257 /nfs/dbraw/zinc/88/82/57/562888257.db2.gz SQVWTVHVWIHOSU-UHFFFAOYSA-N 2 2 621.936 7.618 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299839605 562888258 /nfs/dbraw/zinc/88/82/58/562888258.db2.gz SQVWTVHVWIHOSU-UHFFFAOYSA-N 2 2 621.936 7.618 1 0 KKAFLP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848910 562896431 /nfs/dbraw/zinc/89/64/31/562896431.db2.gz BKXHBTLBLKFDRY-UHFFFAOYSA-N 2 2 502.622 5.782 1 0 KKAFLP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848910 562896432 /nfs/dbraw/zinc/89/64/32/562896432.db2.gz BKXHBTLBLKFDRY-UHFFFAOYSA-N 2 2 502.622 5.782 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4[nH+]ccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473092194 562897711 /nfs/dbraw/zinc/89/77/11/562897711.db2.gz RVCDCPBPUZRFKU-UHFFFAOYSA-N 2 2 631.173 6.765 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4[nH+]ccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473092194 562897712 /nfs/dbraw/zinc/89/77/12/562897712.db2.gz RVCDCPBPUZRFKU-UHFFFAOYSA-N 2 2 631.173 6.765 1 0 KKAFLP C[N@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473159098 562902690 /nfs/dbraw/zinc/90/26/90/562902690.db2.gz GFSJRZDPTMGMKE-CYWCHRQTSA-N 2 2 526.052 5.309 1 0 KKAFLP C[N@@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473159098 562902691 /nfs/dbraw/zinc/90/26/91/562902691.db2.gz GFSJRZDPTMGMKE-CYWCHRQTSA-N 2 2 526.052 5.309 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000473198577 562903737 /nfs/dbraw/zinc/90/37/37/562903737.db2.gz PRXOLTBHQZKAOZ-MPCDZSKCSA-N 2 2 543.495 5.361 1 0 KKAFLP O=S(=O)(c1ccc(C2=C[C@@H]3[NH+]=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@H]3S2)cc1)N1CCOCC1 ZINC000474609776 562905723 /nfs/dbraw/zinc/90/57/23/562905723.db2.gz UXEZNMPSFXNTRD-LSYYVWMOSA-N 2 2 595.146 5.317 1 0 KKAFLP Fc1cccc(COc2ccc([NH+]=C3NC=[NH+][C@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@@H]34)cc2Cl)c1 ZINC000474609922 562905782 /nfs/dbraw/zinc/90/57/82/562905782.db2.gz XISMJZPTIYZMMN-LBNVMWSVSA-N 2 2 549.071 6.272 1 0 KKAFLP O=C(NC1CC1)c1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653760811 562911272 /nfs/dbraw/zinc/91/12/72/562911272.db2.gz DSAGALBXAVZTHZ-UHFFFAOYSA-N 2 2 582.630 5.936 1 0 KKAFLP C[C@H](Nc1nc(N)[nH+]c2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc21)c1c(Cl)ccc(F)c1Cl ZINC000653834977 562914675 /nfs/dbraw/zinc/91/46/75/562914675.db2.gz QTBWGIVMQAJFJW-ZDUSSCGKSA-N 2 2 500.409 5.619 1 0 KKAFLP O=C(NCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916669 /nfs/dbraw/zinc/91/66/69/562916669.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 2 2 523.615 5.519 1 0 KKAFLP O=C(NCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916670 /nfs/dbraw/zinc/91/66/70/562916670.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 2 2 523.615 5.519 1 0 KKAFLP O=C(NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916671 /nfs/dbraw/zinc/91/66/71/562916671.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 2 2 523.615 5.519 1 0 KKAFLP O=C(NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916672 /nfs/dbraw/zinc/91/66/72/562916672.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 2 2 523.615 5.519 1 0 KKAFLP CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)C[NH2+]C)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596840 291932016 /nfs/dbraw/zinc/93/20/16/291932016.db2.gz BTOYZRREKRBLCC-IHTKTJBKSA-N 2 2 548.765 5.153 1 0 biogenic,in-vitro KKAFLP CC[NH+](CC)CCCOc1ccc(Nc2cc3[nH]c(=O)c(-c4c(Cl)cccc4Cl)cc3c[nH+]2)cc1 ZINC000003815551 561682907 /nfs/dbraw/zinc/68/29/07/561682907.db2.gz GVDMYBWNSNCDMN-UHFFFAOYSA-N 2 2 511.453 6.751 1 0 KKAFLP O=C(/C=C/C[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000014944653 561742565 /nfs/dbraw/zinc/74/25/65/561742565.db2.gz SSRSEBNRBASBBM-VMPITWQZSA-N 2 2 549.517 5.581 1 0 KKAFLP C[NH+]1CCN(CCNc2[nH]c3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH+]2)CC1 ZINC000023359577 561762145 /nfs/dbraw/zinc/76/21/45/561762145.db2.gz UPGBUHOFLSJEEI-UHFFFAOYSA-N 2 2 571.579 5.816 1 0 KKAFLP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2c(NC(=O)C(=O)Nc3cccc4c(N[C@@H](C)CCC[NH+](CC)CC)cc[nH+]c34)cccc12 ZINC000026170768 561769921 /nfs/dbraw/zinc/76/99/21/561769921.db2.gz XRKABRYLYFWQDP-NSOVKSMOSA-N 4 2 654.904 7.205 1 0 KKAFLP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H](c2cccc(-n3cc[nH+]c3)c2)C1C(=O)OCC ZINC000026746653 561818968 /nfs/dbraw/zinc/81/89/68/561818968.db2.gz VZJXMGYNIYBWAK-NPAJZZOTSA-N 3 2 514.626 5.186 1 0 KKAFLP C=C1[NH2+]C(=C)C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H](c2cccc(-n3cc[nH+]c3)c2)C1C(=O)OCC ZINC000026746653 561818969 /nfs/dbraw/zinc/81/89/69/561818969.db2.gz VZJXMGYNIYBWAK-NPAJZZOTSA-N 3 2 514.626 5.186 1 0 KKAFLP COC(=O)[C@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026752661 561820006 /nfs/dbraw/zinc/82/00/06/561820006.db2.gz XAKNITJBZPITFX-QAXCHELISA-N 2 2 532.769 5.674 1 0 KKAFLP COC(=O)[C@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026752661 561820008 /nfs/dbraw/zinc/82/00/08/561820008.db2.gz XAKNITJBZPITFX-QAXCHELISA-N 2 2 532.769 5.674 1 0 KKAFLP O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)C[NH+]4CCC(Cc5ccccc5)CC4)sc3cc2s1 ZINC000027182965 561841958 /nfs/dbraw/zinc/84/19/58/561841958.db2.gz HGMHQWILDYGNCZ-UHFFFAOYSA-N 2 2 652.890 6.692 1 0 KKAFLP O=C(C1CCCCC1)N1C[C@H](C[NH+]2CCC(N(Cc3ccccc3)c3cccc[nH+]3)CC2)[C@@H](c2ccccc2)C1 ZINC000027434600 561859819 /nfs/dbraw/zinc/85/98/19/561859819.db2.gz ACMSANXIVMQTEW-CQTOTRCISA-N 2 2 536.764 6.375 1 0 KKAFLP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000027517877 561861627 /nfs/dbraw/zinc/86/16/27/561861627.db2.gz OVNDNIJQJAWJBW-JDXGNMNLSA-N 2 2 595.672 7.339 1 0 KKAFLP CCN(CC)c1ccc(N2CC[NH+](CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519601 561863137 /nfs/dbraw/zinc/86/31/37/561863137.db2.gz AGKOFSMXHVZNDI-LWMSGNAUSA-N 2 2 627.918 6.555 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(CO)cc2Br)CC1 ZINC000027548388 561867464 /nfs/dbraw/zinc/86/74/64/561867464.db2.gz VRAWLOZCCWHRRN-UHFFFAOYSA-N 2 2 503.506 5.304 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc2ccccc21 ZINC000027639155 561874951 /nfs/dbraw/zinc/87/49/51/561874951.db2.gz VAGYBZBVJPZWJP-UHFFFAOYSA-N 2 2 516.089 5.281 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccc2ccccc21 ZINC000027639155 561874953 /nfs/dbraw/zinc/87/49/53/561874953.db2.gz VAGYBZBVJPZWJP-UHFFFAOYSA-N 2 2 516.089 5.281 1 0 KKAFLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(-c2ccccc2)cc1 ZINC000028137560 561906984 /nfs/dbraw/zinc/90/69/84/561906984.db2.gz QOTIFUHLTVLZQH-UHFFFAOYSA-N 3 2 545.815 7.494 1 0 KKAFLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(-c2ccccc2)cc1 ZINC000028137560 561906985 /nfs/dbraw/zinc/90/69/85/561906985.db2.gz QOTIFUHLTVLZQH-UHFFFAOYSA-N 3 2 545.815 7.494 1 0 KKAFLP O=C1N(CCc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)N1Cc1ccccc1F ZINC000028704479 561948593 /nfs/dbraw/zinc/94/85/93/561948593.db2.gz GYEHSPMYPANVHO-UHFFFAOYSA-N 2 2 537.639 5.053 1 0 KKAFLP CC[NH+](CCCCCC[NH2+]c1ccc(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952076 /nfs/dbraw/zinc/95/20/76/561952076.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 3 2 602.908 8.693 1 0 KKAFLP CC[NH+](CCCCCC[NH2+]c1ccc(NCCCCCC[N@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952077 /nfs/dbraw/zinc/95/20/77/561952077.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 3 2 602.908 8.693 1 0 KKAFLP CC[NH+](CCCCCCNc1ccc([NH2+]CCCCCC[N@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952079 /nfs/dbraw/zinc/95/20/79/561952079.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 3 2 602.908 8.693 1 0 KKAFLP CC[NH+](CCCCCCNc1ccc([NH2+]CCCCCC[N@@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952081 /nfs/dbraw/zinc/95/20/81/561952081.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 3 2 602.908 8.693 1 0 KKAFLP CC(=O)c1ccccc1Nc1[nH+]c2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCC[NH+]1CCCCC1 ZINC000028823399 561967978 /nfs/dbraw/zinc/96/79/78/561967978.db2.gz IJVBZPDXLJKLHM-UHFFFAOYSA-N 2 2 559.799 7.393 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(Oc4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823420 561968068 /nfs/dbraw/zinc/96/80/68/561968068.db2.gz VWWZJKPTRDMLGO-UHFFFAOYSA-N 2 2 609.859 8.983 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccsc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823425 561968080 /nfs/dbraw/zinc/96/80/80/561968080.db2.gz DSOTYUUCKMODPX-UHFFFAOYSA-N 2 2 523.791 7.252 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(N(CCC)CC2CC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038880 561989491 /nfs/dbraw/zinc/98/94/91/561989491.db2.gz GYAMXGCMPVZJNC-UHFFFAOYSA-N 2 2 525.830 6.583 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(CCC)CC2CC2)[nH+]1 ZINC000029038880 561989492 /nfs/dbraw/zinc/98/94/92/561989492.db2.gz GYAMXGCMPVZJNC-UHFFFAOYSA-N 2 2 525.830 6.583 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)[nH+]c(N(CCC)CC2CC2)n1 ZINC000029038880 561989493 /nfs/dbraw/zinc/98/94/93/561989493.db2.gz GYAMXGCMPVZJNC-UHFFFAOYSA-N 2 2 525.830 6.583 1 0 KKAFLP Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(n5ncc6c5nc[nH+]c6N)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125657 561997825 /nfs/dbraw/zinc/99/78/25/561997825.db2.gz UGUQLQRPEDJAPE-UHFFFAOYSA-N 2 2 560.691 5.075 1 0 KKAFLP C[NH+](CCC[N@@H+](C)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000029204890 562005024 /nfs/dbraw/zinc/00/50/24/562005024.db2.gz KHSMGYQVKLZDEX-UHFFFAOYSA-N 2 2 628.685 5.631 1 0 KKAFLP C[NH+](CCC[N@H+](C)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000029204890 562005026 /nfs/dbraw/zinc/00/50/26/562005026.db2.gz KHSMGYQVKLZDEX-UHFFFAOYSA-N 2 2 628.685 5.631 1 0 KKAFLP Clc1ccc2c(c1)[nH+]ccc2N1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CCC[NH2+]CC1 ZINC000029408742 562021221 /nfs/dbraw/zinc/02/12/21/562021221.db2.gz PJQGKBGMEBLEMM-UHFFFAOYSA-N 4 2 685.103 8.494 1 0 KKAFLP CCOc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CC[NH+](CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000029466601 562024447 /nfs/dbraw/zinc/02/44/47/562024447.db2.gz NOFBGGXDUUYWHJ-UHFFFAOYSA-N 2 2 667.295 5.278 1 0 KKAFLP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029475466 562026468 /nfs/dbraw/zinc/02/64/68/562026468.db2.gz OGLNCNGICKDUAN-COCZKOEFSA-N 2 2 702.984 7.482 1 0 KKAFLP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029475466 562026469 /nfs/dbraw/zinc/02/64/69/562026469.db2.gz OGLNCNGICKDUAN-COCZKOEFSA-N 2 2 702.984 7.482 1 0 KKAFLP O=C(COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1)N1CCCCC1 ZINC000029565801 562034346 /nfs/dbraw/zinc/03/43/46/562034346.db2.gz MPCKVVRSQWOLIU-UHFFFAOYSA-N 2 2 569.725 5.734 1 0 KKAFLP COc1cc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc(OC)c1OC ZINC000029568617 562034899 /nfs/dbraw/zinc/03/48/99/562034899.db2.gz DTPDYJYLYBXNOF-UHFFFAOYSA-N 2 2 500.643 5.229 1 0 KKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000029569094 562035186 /nfs/dbraw/zinc/03/51/86/562035186.db2.gz ZTKZFZLVPHFIRG-UHFFFAOYSA-N 2 2 534.679 6.922 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033825156 562037753 /nfs/dbraw/zinc/03/77/53/562037753.db2.gz LLBLXGVWHQTALB-UHFFFAOYSA-N 2 2 521.448 6.264 1 0 KKAFLP CC[C@H](C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285684 562054324 /nfs/dbraw/zinc/05/43/24/562054324.db2.gz TUVLNWRHXNOMHI-LASKTHCNSA-N 2 2 599.569 6.722 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157898 562069762 /nfs/dbraw/zinc/06/97/62/562069762.db2.gz JMMPSIYIASBLJI-UHFFFAOYSA-N 2 2 574.955 7.915 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157905 562069879 /nfs/dbraw/zinc/06/98/79/562069879.db2.gz VNRGGBQHBMTPMF-UHFFFAOYSA-N 2 2 574.062 7.627 1 0 KKAFLP COC[C@H]1CCC[N@@H+](C2CCN(c3nc(Nc4ccc(Cl)cc4)c4cc(OC)c(OC)cc4[nH+]3)CC2)C1 ZINC000040424252 562076464 /nfs/dbraw/zinc/07/64/64/562076464.db2.gz IUJUWXIRDRYWGN-IBGZPJMESA-N 2 2 526.081 5.371 1 0 KKAFLP COC[C@H]1CCC[N@H+](C2CCN(c3nc(Nc4ccc(Cl)cc4)c4cc(OC)c(OC)cc4[nH+]3)CC2)C1 ZINC000040424252 562076465 /nfs/dbraw/zinc/07/64/65/562076465.db2.gz IUJUWXIRDRYWGN-IBGZPJMESA-N 2 2 526.081 5.371 1 0 KKAFLP CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+]1CCCCC1 ZINC000040919080 562084423 /nfs/dbraw/zinc/08/44/23/562084423.db2.gz YPXKZNDCBYWMOG-UHFFFAOYSA-N 2 2 502.446 5.681 1 0 KKAFLP CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](C(C)C)CC1 ZINC000040936263 562085089 /nfs/dbraw/zinc/08/50/89/562085089.db2.gz OBHBVEPTCAFAQQ-UHFFFAOYSA-N 2 2 502.446 5.313 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C1c2ccccc2Oc2ccccc21 ZINC000043532201 562649295 /nfs/dbraw/zinc/64/92/95/562649295.db2.gz WCIYEZZYWXTQFQ-UHFFFAOYSA-N 2 2 570.137 5.752 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C1c2ccccc2Oc2ccccc21 ZINC000043532201 562649296 /nfs/dbraw/zinc/64/92/96/562649296.db2.gz WCIYEZZYWXTQFQ-UHFFFAOYSA-N 2 2 570.137 5.752 1 0 KKAFLP Oc1ccc2[nH]c3c(c2c1)CC[NH+]=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 562653848 /nfs/dbraw/zinc/65/38/48/562653848.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 3 2 566.790 5.901 1 0 KKAFLP Oc1ccc2[nH]c3c(c2c1)CC[NH+]=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 562653849 /nfs/dbraw/zinc/65/38/49/562653849.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 3 2 566.790 5.901 1 0 KKAFLP Oc1ccc2[nH]c3c(c2c1)CC[NH+]=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 562653850 /nfs/dbraw/zinc/65/38/50/562653850.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 3 2 566.790 5.901 1 0 KKAFLP Oc1ccc2[nH]c3c(c2c1)CC[NH+]=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 562653851 /nfs/dbraw/zinc/65/38/51/562653851.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 3 2 566.790 5.901 1 0 KKAFLP CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)o1 ZINC000045187025 562658229 /nfs/dbraw/zinc/65/82/29/562658229.db2.gz MBBGXAYUQXIQGL-UHFFFAOYSA-N 2 2 514.607 5.560 1 0 KKAFLP O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CC[C@@H]1CC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000045298403 562660380 /nfs/dbraw/zinc/66/03/80/562660380.db2.gz YWKPGWQHNFOGPP-XMMPIXPASA-N 2 2 530.159 5.556 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c[nH+]c(NCCCn3cc[nH+]c3)nc21 ZINC000049604992 562665178 /nfs/dbraw/zinc/66/51/78/562665178.db2.gz DFNVDRVRYYUQSF-UHFFFAOYSA-N 2 2 571.514 5.670 1 0 KKAFLP Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c[nH+]c(NCCc3c[nH]c[nH+]3)nc21 ZINC000049605664 562666171 /nfs/dbraw/zinc/66/61/71/562666171.db2.gz BWJGVWJOZISODP-UHFFFAOYSA-N 2 2 539.497 5.210 1 0 KKAFLP [NH3+]C1CCN(c2nc(NCCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000049605680 562666212 /nfs/dbraw/zinc/66/62/12/562666212.db2.gz IMOYYRLMWIXZEC-UHFFFAOYSA-N 2 2 577.655 5.847 1 0 KKAFLP [NH3+]C1CCN(c2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(NCCCc3ccc(O)cc3)[nH+]2)CC1 ZINC000049605680 562666213 /nfs/dbraw/zinc/66/62/13/562666213.db2.gz IMOYYRLMWIXZEC-UHFFFAOYSA-N 2 2 577.655 5.847 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)cs2)cc1 ZINC000049626514 562667224 /nfs/dbraw/zinc/66/72/24/562667224.db2.gz WBHJKHQFAXZOKA-WDYNHAJCSA-N 2 2 542.753 6.054 1 0 KKAFLP CCOP(=O)(OCC)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([C@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708921 562671130 /nfs/dbraw/zinc/67/11/30/562671130.db2.gz GCQPKRXHOAIDEP-LQFQNGICSA-N 2 2 694.750 8.843 1 0 KKAFLP [NH3+][C@H](CCNc1nc(N2CCCCC2)nc(NCCCNc2cc[nH+]c3cc(Cl)ccc23)[nH+]1)c1ccnc2cc(Cl)ccc21 ZINC000049757115 562675559 /nfs/dbraw/zinc/67/55/59/562675559.db2.gz NTHQIZRRRSZZPX-AREMUKBSSA-N 3 2 631.616 6.681 1 0 KKAFLP Cc1cccc(NC(=O)c2ccc(C)c(Nc3[nH+]c4ccccc4n3-c3cc(NCCCC[NH+](C)C)ncn3)c2)c1 ZINC000049780459 562681749 /nfs/dbraw/zinc/68/17/49/562681749.db2.gz BDUYLUFNRITWFA-UHFFFAOYSA-N 2 2 548.695 6.182 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792791 562684516 /nfs/dbraw/zinc/68/45/16/562684516.db2.gz GQLRVZUEFPBQLU-LJEWAXOPSA-N 2 2 570.777 7.322 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049792791 562684517 /nfs/dbraw/zinc/68/45/17/562684517.db2.gz GQLRVZUEFPBQLU-LJEWAXOPSA-N 2 2 570.777 7.322 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCCC[N@@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694089 /nfs/dbraw/zinc/69/40/89/562694089.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 2 2 600.594 8.951 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCCC[N@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694090 /nfs/dbraw/zinc/69/40/90/562694090.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 2 2 600.594 8.951 1 0 KKAFLP CC[NH+](CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(C[NH+](C)C)c(=O)nc1SCc1ccc(F)cc1 ZINC000049917917 562694132 /nfs/dbraw/zinc/69/41/32/562694132.db2.gz CSAOECNNUYJRTM-UHFFFAOYSA-N 2 2 650.264 6.427 1 0 KKAFLP C[NH+]1CCN(CCNc2cc(-n3cc[nH+]c3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053293643 562697150 /nfs/dbraw/zinc/69/71/50/562697150.db2.gz RXAUDONEMZYHCD-UHFFFAOYSA-N 2 2 621.590 5.726 1 0 KKAFLP C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(NC5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058591331 562700467 /nfs/dbraw/zinc/70/04/67/562700467.db2.gz VZQLEKQMCOAWNB-LJQANCHMSA-N 2 2 587.149 6.547 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000058592459 562700611 /nfs/dbraw/zinc/70/06/11/562700611.db2.gz GOUXVFGHGYYLAE-UHFFFAOYSA-N 2 2 537.752 7.022 1 0 KKAFLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074275 562709789 /nfs/dbraw/zinc/70/97/89/562709789.db2.gz NLIKRVUFEZIMOB-OAQYLSRUSA-N 2 2 554.085 5.118 1 0 KKAFLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074275 562709790 /nfs/dbraw/zinc/70/97/90/562709790.db2.gz NLIKRVUFEZIMOB-OAQYLSRUSA-N 2 2 554.085 5.118 1 0 KKAFLP Cc1ccccc1Nc1nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc(N2CC[NH+](C)CC2)n1 ZINC000066076364 562710155 /nfs/dbraw/zinc/71/01/55/562710155.db2.gz KVFPIYNNMBTJBD-UHFFFAOYSA-N 2 2 552.086 6.364 1 0 KKAFLP Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)n2)cc1 ZINC000066080479 562710757 /nfs/dbraw/zinc/71/07/57/562710757.db2.gz BZWLWISJILFOTL-UHFFFAOYSA-N 2 2 596.139 6.747 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000071295372 562717194 /nfs/dbraw/zinc/71/71/94/562717194.db2.gz KQQJDLRHYDOVIR-BWMKXQIXSA-N 2 2 611.812 5.424 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000071295372 562717195 /nfs/dbraw/zinc/71/71/95/562717195.db2.gz KQQJDLRHYDOVIR-BWMKXQIXSA-N 2 2 611.812 5.424 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000071295528 562717259 /nfs/dbraw/zinc/71/72/59/562717259.db2.gz IFPACHFGQGQBDX-ULJKERAFSA-N 2 2 601.622 8.084 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000071295528 562717260 /nfs/dbraw/zinc/71/72/60/562717260.db2.gz IFPACHFGQGQBDX-ULJKERAFSA-N 2 2 601.622 8.084 1 0 KKAFLP COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CCCN(c3ccccc3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116194 562723020 /nfs/dbraw/zinc/72/30/20/562723020.db2.gz OGFPSLBZTDPHOJ-UHFFFAOYSA-N 3 2 601.840 5.505 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]CC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147859 562729886 /nfs/dbraw/zinc/72/98/86/562729886.db2.gz WSBCYTMHZZVDOP-IZLXSDGUSA-N 2 2 681.051 7.652 1 0 KKAFLP Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccc(N(C)C(=O)/C=C/C[NH+](C)C)cc2n2c[nH+]cc12 ZINC000073141857 562733771 /nfs/dbraw/zinc/73/37/71/562733771.db2.gz SIKNLOGXXNNBCE-RMKNXTFCSA-N 2 2 601.633 6.286 1 0 KKAFLP CC[NH+]1CCN(c2cc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)[nH+]c(C)n2)CC1 ZINC000073142325 562733822 /nfs/dbraw/zinc/73/38/22/562733822.db2.gz MTVNTMRGJCYGBM-UHFFFAOYSA-N 2 2 521.090 6.099 1 0 KKAFLP C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CC(C)(C)[NH3+])c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197146 562735263 /nfs/dbraw/zinc/73/52/63/562735263.db2.gz LOYJEEBYLAQGGE-GKVSMKOHSA-N 2 2 524.496 5.652 1 0 KKAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000073198130 562735563 /nfs/dbraw/zinc/73/55/63/562735563.db2.gz FBDLLDTWCMQOOT-GDLZYMKVSA-N 2 2 629.123 5.374 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@H+](C)CC3 ZINC000073256694 562737024 /nfs/dbraw/zinc/73/70/24/562737024.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@@H+](C)CC3 ZINC000073256694 562737025 /nfs/dbraw/zinc/73/70/25/562737025.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073256694 562737026 /nfs/dbraw/zinc/73/70/26/562737026.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073256694 562737027 /nfs/dbraw/zinc/73/70/27/562737027.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 2 2 576.693 7.251 1 0 KKAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140342 562739391 /nfs/dbraw/zinc/73/93/91/562739391.db2.gz WTHJJMAJSBSMMP-SSEXGKCCSA-N 2 2 643.150 5.417 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082148874 562739635 /nfs/dbraw/zinc/73/96/35/562739635.db2.gz WTVBMVWFLMZFKE-JGCGQSQUSA-N 2 2 686.080 6.204 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1CC2CCC(C1)[NH+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000095548039 562759082 /nfs/dbraw/zinc/75/90/82/562759082.db2.gz XNOYYQVNZAYECN-BCFRNYDHSA-N 2 2 750.356 7.929 1 0 KKAFLP Cc1cc(N2CC[NH+]([C@@H](c3nnnn3-c3c(C)cccc3C)c3ccnc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000095568539 562766768 /nfs/dbraw/zinc/76/67/68/562766768.db2.gz LFSZFZUZMKSNCB-JGCGQSQUSA-N 2 2 540.675 5.596 3 0 KKAFLP 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 ZINC000095570481 562768228 /nfs/dbraw/zinc/76/82/28/562768228.db2.gz WMQQUESCJJDFFW-IZPIQJOWSA-N 2 2 678.837 5.913 1 0 KKAFLP 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 ZINC000095570481 562768229 /nfs/dbraw/zinc/76/82/29/562768229.db2.gz WMQQUESCJJDFFW-IZPIQJOWSA-N 2 2 678.837 5.913 1 0 KKAFLP COc1ccc(CNc2cc(C)[nH+]c(Nc3ccc(OCCCCCOc4ccc(Nc5nc(NCc6ccc(OC)cc6)cc(C)[nH+]5)cc4)cc3)n2)cc1 ZINC000095595381 562776690 /nfs/dbraw/zinc/77/66/90/562776690.db2.gz KFDCLWIWWKLKML-UHFFFAOYSA-N 2 2 740.909 9.240 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670079 562788223 /nfs/dbraw/zinc/78/82/23/562788223.db2.gz IWYTUWMBDRWLJL-IGKIAQTJSA-N 2 2 502.577 6.019 1 0 KKAFLP CC[NH2+]c1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670079 562788224 /nfs/dbraw/zinc/78/82/24/562788224.db2.gz IWYTUWMBDRWLJL-IGKIAQTJSA-N 2 2 502.577 6.019 1 0 KKAFLP COc1cc(=O)oc2cc(OCCCCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096271830 562793859 /nfs/dbraw/zinc/79/38/59/562793859.db2.gz ZRZOBRDQJAZAHG-UHFFFAOYSA-N 2 2 598.744 5.424 1 0 KKAFLP C[C@](O)(CCC[NH2+]CCCn1cc[nH+]c1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908082 562799324 /nfs/dbraw/zinc/79/93/24/562799324.db2.gz RQAKNSGEGXJXBB-VDPSFHEQSA-N 2 2 543.837 5.411 1 0 KKAFLP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000096921623 562801455 /nfs/dbraw/zinc/80/14/55/562801455.db2.gz ZLHFKUBQDTULIC-KEANYWJXSA-N 3 2 500.775 5.284 1 0 KKAFLP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000096921623 562801456 /nfs/dbraw/zinc/80/14/56/562801456.db2.gz ZLHFKUBQDTULIC-KEANYWJXSA-N 3 2 500.775 5.284 1 0 KKAFLP C[NH+]1CCN(C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000096921623 562801457 /nfs/dbraw/zinc/80/14/57/562801457.db2.gz ZLHFKUBQDTULIC-KEANYWJXSA-N 3 2 500.775 5.284 1 0 KKAFLP C[NH+]1CCN(C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@@H+](CCC[NH+]2CCCCC2)CC3)CC1 ZINC000096921623 562801458 /nfs/dbraw/zinc/80/14/58/562801458.db2.gz ZLHFKUBQDTULIC-KEANYWJXSA-N 3 2 500.775 5.284 1 0 KKAFLP C[C@@](O)(c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926979 562802448 /nfs/dbraw/zinc/80/24/48/562802448.db2.gz OQPCBRUAQKPVNO-JHHGMXAASA-N 2 2 644.816 6.393 1 0 KKAFLP C[C@@](O)(c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926979 562802449 /nfs/dbraw/zinc/80/24/49/562802449.db2.gz OQPCBRUAQKPVNO-JHHGMXAASA-N 2 2 644.816 6.393 1 0 KKAFLP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCC[NH+]1[C@@H](O)Cc1ccccc1 ZINC000096926978 562802542 /nfs/dbraw/zinc/80/25/42/562802542.db2.gz YZSSHKBZRWBJSW-KWAXCOPOSA-N 2 2 644.816 5.785 1 0 KKAFLP O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](O)Cc3ccccc3)cc2)cc1)[C@@H]1CCC[NH+]1[C@@H](O)Cc1ccccc1 ZINC000096926978 562802543 /nfs/dbraw/zinc/80/25/43/562802543.db2.gz YZSSHKBZRWBJSW-KWAXCOPOSA-N 2 2 644.816 5.785 1 0 KKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(OCC[NH+]2CCOCC2)c(-c2ccccc2)c1 ZINC000096940296 562804946 /nfs/dbraw/zinc/80/49/46/562804946.db2.gz TYFKXTRILDZUEX-UHFFFAOYSA-N 2 2 544.699 6.589 1 0 KKAFLP CCc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(C)=O)C2 ZINC000100076323 562806583 /nfs/dbraw/zinc/80/65/83/562806583.db2.gz WJVLXNIJJXIXEY-RLPLKTQASA-N 2 2 568.766 5.955 1 0 KKAFLP CCc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(C)=O)C2 ZINC000100076323 562806584 /nfs/dbraw/zinc/80/65/84/562806584.db2.gz WJVLXNIJJXIXEY-RLPLKTQASA-N 2 2 568.766 5.955 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193591 562809934 /nfs/dbraw/zinc/80/99/34/562809934.db2.gz PJUZFIMJBIWYQW-RCFASBGUSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193591 562809935 /nfs/dbraw/zinc/80/99/35/562809935.db2.gz PJUZFIMJBIWYQW-RCFASBGUSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101445448 562810732 /nfs/dbraw/zinc/81/07/32/562810732.db2.gz WXERQXIYWWWCKN-PKQPGRETSA-N 2 2 507.682 6.950 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101445448 562810733 /nfs/dbraw/zinc/81/07/33/562810733.db2.gz WXERQXIYWWWCKN-PKQPGRETSA-N 2 2 507.682 6.950 1 0 KKAFLP C[N@@H+]1CCC[C@H]1CC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696129 562811749 /nfs/dbraw/zinc/81/17/49/562811749.db2.gz JKABQKSBPGSKAQ-QFIPXVFZSA-N 2 2 596.753 5.677 1 0 KKAFLP C[N@H+]1CCC[C@H]1CC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696129 562811750 /nfs/dbraw/zinc/81/17/50/562811750.db2.gz JKABQKSBPGSKAQ-QFIPXVFZSA-N 2 2 596.753 5.677 1 0 KKAFLP O=c1c(=O)c(NCCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000101702647 562812014 /nfs/dbraw/zinc/81/20/14/562812014.db2.gz YHBIKUKAZSROFA-UHFFFAOYSA-N 2 2 549.462 5.514 1 0 KKAFLP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CC[NH+]7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812789 /nfs/dbraw/zinc/81/27/89/562812789.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 2 570.781 6.089 1 0 KKAFLP C/C=C1/C[N@H+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CC[NH+]7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812790 /nfs/dbraw/zinc/81/27/90/562812790.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 2 570.781 6.089 1 0 KKAFLP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CC[N@@H+]7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812791 /nfs/dbraw/zinc/81/27/91/562812791.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 2 570.781 6.089 1 0 KKAFLP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CC[N@H+]7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812792 /nfs/dbraw/zinc/81/27/92/562812792.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 2 570.781 6.089 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000114034851 562826932 /nfs/dbraw/zinc/82/69/32/562826932.db2.gz DVZXDVSCYLZEEK-UHFFFAOYSA-N 2 2 530.043 7.375 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N[C@H]5CCC[NH2+]C5)nc4)c3c2)cc(Cl)c1O ZINC000114034363 562826951 /nfs/dbraw/zinc/82/69/51/562826951.db2.gz MGEPPNAWRUVOBH-FQEVSTJZSA-N 2 2 544.055 6.165 1 0 KKAFLP [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035871 562827035 /nfs/dbraw/zinc/82/70/35/562827035.db2.gz XCIFPBRCAMMOCR-LJQANCHMSA-N 2 2 532.019 6.059 1 0 KKAFLP [NH3+][C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038112 562827267 /nfs/dbraw/zinc/82/72/67/562827267.db2.gz DUCVDAMLKWEHIL-SFHVURJKSA-N 2 2 517.992 5.669 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000114037761 562827281 /nfs/dbraw/zinc/82/72/81/562827281.db2.gz KGJSFCMUCCJIAX-UHFFFAOYSA-N 2 2 517.992 5.541 1 0 KKAFLP C[NH+]1CCN(Cc2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5ccc(O)c(Cl)c5)cc43)cc2)CC1 ZINC000114038874 562827299 /nfs/dbraw/zinc/82/72/99/562827299.db2.gz CMQGBAVFCYTHBI-UHFFFAOYSA-N 2 2 527.068 6.345 1 0 KKAFLP CC(C)C(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC000114039015 562827368 /nfs/dbraw/zinc/82/73/68/562827368.db2.gz VMHPJKQELDQLOV-UHFFFAOYSA-N 2 2 520.008 5.787 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCC([NH+](C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789990 562830546 /nfs/dbraw/zinc/83/05/46/562830546.db2.gz GYPIVOQVWAXHTL-QKUPIINXSA-N 2 2 590.208 7.292 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([NH+](C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798413 562830718 /nfs/dbraw/zinc/83/07/18/562830718.db2.gz GYPIVOQVWAXHTL-SERWZODPSA-N 2 2 590.208 7.292 1 0 KKAFLP CC[NH+](CC)CCc1nnc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)s1 ZINC000139659480 562832702 /nfs/dbraw/zinc/83/27/02/562832702.db2.gz LBVKYHDBATZZLG-UHFFFAOYSA-N 2 2 517.581 5.088 1 0 KKAFLP COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000140480882 562833093 /nfs/dbraw/zinc/83/30/93/562833093.db2.gz KNHHEGBUUFWWFF-DIVCQZSQSA-N 2 2 596.780 5.023 1 0 KKAFLP Cc1ccc(C(=O)Nc2cc[nH+]c(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC(CC[NH+](C)C)CC3)nc21 ZINC000148377327 562841214 /nfs/dbraw/zinc/84/12/14/562841214.db2.gz RUCXUHBXTHRBKJ-UHFFFAOYSA-N 2 2 567.742 5.585 1 0 KKAFLP Fc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)c1 ZINC000169322271 562856805 /nfs/dbraw/zinc/85/68/05/562856805.db2.gz QDBDMTQLEIUMBV-UHFFFAOYSA-N 2 2 600.102 6.577 1 0 KKAFLP Fc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1 ZINC000169323765 562857143 /nfs/dbraw/zinc/85/71/43/562857143.db2.gz FLBLUCZVKMVSAZ-UHFFFAOYSA-N 2 2 600.102 6.577 1 0 KKAFLP Cc1ccc(Cl)cc1N1CC[NH+](CCOC(=O)c2ccccc2Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000169333339 562859271 /nfs/dbraw/zinc/85/92/71/562859271.db2.gz GFIDQMYOXYEURS-UHFFFAOYSA-N 2 2 535.475 6.573 1 0 KKAFLP O=C(OC[C@H]([C@@H]1CC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353286 562863476 /nfs/dbraw/zinc/86/34/76/562863476.db2.gz ZDIFOSOAJVECSC-RRTCDKLQSA-N 2 2 624.789 6.712 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(N5CC[NH+](C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000215726746 562877431 /nfs/dbraw/zinc/87/74/31/562877431.db2.gz XGXVGFZTWNLTLI-UHFFFAOYSA-N 2 2 535.088 5.078 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC([NH+]5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000215726746 562877432 /nfs/dbraw/zinc/87/74/32/562877432.db2.gz XGXVGFZTWNLTLI-UHFFFAOYSA-N 2 2 535.088 5.078 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000219350107 562878040 /nfs/dbraw/zinc/87/80/40/562878040.db2.gz FORXTHZILJHNGU-UHFFFAOYSA-N 2 2 502.014 6.667 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3ccc(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000219859789 562878301 /nfs/dbraw/zinc/87/83/01/562878301.db2.gz IFGHBOINVBTUBN-UHFFFAOYSA-N 2 2 500.002 5.402 1 0 KKAFLP Nc1nc(-c2ccc(CCN3CC[NH+](CCCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834987 562886645 /nfs/dbraw/zinc/88/66/45/562886645.db2.gz ULGFVCNCBQHIOS-UHFFFAOYSA-N 2 2 594.873 5.740 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836394 562887156 /nfs/dbraw/zinc/88/71/56/562887156.db2.gz ZQSWUZJRLPTXDM-PMERELPUSA-N 2 2 525.737 6.032 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836394 562887157 /nfs/dbraw/zinc/88/71/57/562887157.db2.gz ZQSWUZJRLPTXDM-PMERELPUSA-N 2 2 525.737 6.032 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836395 562887165 /nfs/dbraw/zinc/88/71/65/562887165.db2.gz ZQSWUZJRLPTXDM-SSEXGKCCSA-N 2 2 525.737 6.032 1 0 KKAFLP CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836395 562887166 /nfs/dbraw/zinc/88/71/66/562887166.db2.gz ZQSWUZJRLPTXDM-SSEXGKCCSA-N 2 2 525.737 6.032 1 0 KKAFLP COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](C5CC[NH+](C)CC5)CC4)c4nc[nH+]c(N)c34)cc2[nH]1 ZINC000299848899 562890340 /nfs/dbraw/zinc/89/03/40/562890340.db2.gz OBDZFXLPCBGQSA-LSNLESRRSA-N 2 2 550.711 5.624 1 0 KKAFLP COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@H](C5CC[NH+](C)CC5)CC4)c4nc[nH+]c(N)c34)ccc2[nH]1 ZINC000299848899 562890341 /nfs/dbraw/zinc/89/03/41/562890341.db2.gz OBDZFXLPCBGQSA-LSNLESRRSA-N 2 2 550.711 5.624 1 0 KKAFLP CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000299866776 562894748 /nfs/dbraw/zinc/89/47/48/562894748.db2.gz WUHVASUBTOYMAX-SHQBLQIYSA-N 2 2 500.609 5.221 1 0 KKAFLP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(C3CCCCC3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299867097 562894806 /nfs/dbraw/zinc/89/48/06/562894806.db2.gz PVXJRIXYRKJIBI-HSZRJFAPSA-N 2 2 576.685 5.644 1 0 KKAFLP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccccc54)cc3N)cc2)cc1 ZINC000377820000 562896173 /nfs/dbraw/zinc/89/61/73/562896173.db2.gz UNRPTIUQCHOLKF-UHFFFAOYSA-O 2 2 531.684 6.559 1 0 KKAFLP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccccc54)cc3N)cc2)cc1 ZINC000377820000 562896174 /nfs/dbraw/zinc/89/61/74/562896174.db2.gz UNRPTIUQCHOLKF-UHFFFAOYSA-O 2 2 531.684 6.559 1 0 KKAFLP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848926 562896512 /nfs/dbraw/zinc/89/65/12/562896512.db2.gz KHSIDRRULOFQID-UHFFFAOYSA-N 2 2 515.661 6.980 1 0 KKAFLP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccccc54)cc3)cc2)cc1 ZINC000377848926 562896511 /nfs/dbraw/zinc/89/65/11/562896511.db2.gz KHSIDRRULOFQID-UHFFFAOYSA-N 2 2 515.661 6.980 1 0 KKAFLP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CC)c5ccccc54)cc3N)cc2N)cc1 ZINC000377848925 562896522 /nfs/dbraw/zinc/89/65/22/562896522.db2.gz KFGHPELZXTTWJQ-UHFFFAOYSA-O 2 2 518.645 5.361 1 0 KKAFLP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CC)c5ccccc54)cc3N)cc2N)cc1 ZINC000377848925 562896523 /nfs/dbraw/zinc/89/65/23/562896523.db2.gz KFGHPELZXTTWJQ-UHFFFAOYSA-O 2 2 518.645 5.361 1 0 KKAFLP CCCC[C@@H]1C[C@@](CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473085837 562896974 /nfs/dbraw/zinc/89/69/74/562896974.db2.gz YRBFVPQLCITKOD-JQTYSHOSSA-N 2 2 551.747 7.002 1 0 KKAFLP CCCC[C@@H]1C[C@@](CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473085837 562896975 /nfs/dbraw/zinc/89/69/75/562896975.db2.gz YRBFVPQLCITKOD-JQTYSHOSSA-N 2 2 551.747 7.002 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902536 /nfs/dbraw/zinc/90/25/36/562902536.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 2 2 577.169 5.891 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902537 /nfs/dbraw/zinc/90/25/37/562902537.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 2 2 577.169 5.891 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@@H]([NH+](C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902538 /nfs/dbraw/zinc/90/25/38/562902538.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 2 2 577.169 5.891 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000473183011 562903546 /nfs/dbraw/zinc/90/35/46/562903546.db2.gz ISXSHIWBHAEAOG-NYVOZVTQSA-N 3 2 525.068 5.418 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000473183011 562903547 /nfs/dbraw/zinc/90/35/47/562903547.db2.gz ISXSHIWBHAEAOG-NYVOZVTQSA-N 3 2 525.068 5.418 1 0 KKAFLP O=C(NCCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917626 /nfs/dbraw/zinc/91/76/26/562917626.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 2 2 519.652 5.770 1 0 KKAFLP O=C(NCCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917627 /nfs/dbraw/zinc/91/76/27/562917627.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 2 2 519.652 5.770 1 0 KKAFLP O=C(NCCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917628 /nfs/dbraw/zinc/91/76/28/562917628.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 2 2 519.652 5.770 1 0 KKAFLP O=C(NCCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917629 /nfs/dbraw/zinc/91/76/29/562917629.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 2 2 519.652 5.770 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N@H+]1C ZINC000095098971 565172156 /nfs/dbraw/zinc/17/21/56/565172156.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[NH+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000095098971 565172161 /nfs/dbraw/zinc/17/21/61/565172161.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098971 565172163 /nfs/dbraw/zinc/17/21/63/565172163.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[NH+]1C ZINC000095098971 565172168 /nfs/dbraw/zinc/17/21/68/565172168.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 2 2 668.787 6.457 1 0 biogenic,in-vitro KKAFLP CCC1C=C(c2cccc(CCc3c(OCCCO)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=[NH+]1 ZINC000150350030 565202480 /nfs/dbraw/zinc/20/24/80/565202480.db2.gz NDDILHVUQJNYOA-UHFFFAOYSA-N 2 2 696.821 5.235 1 0 biogenic,in-vitro KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1 ZINC000003964110 561691316 /nfs/dbraw/zinc/69/13/16/561691316.db2.gz RJEFBVHGZPUKAJ-OZXSUGGESA-N 2 2 627.649 5.330 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1 ZINC000003964110 561691317 /nfs/dbraw/zinc/69/13/17/561691317.db2.gz RJEFBVHGZPUKAJ-OZXSUGGESA-N 2 2 627.649 5.330 1 0 KKAFLP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000003994922 561693768 /nfs/dbraw/zinc/69/37/68/561693768.db2.gz MUQJKGMXKAWCJF-WJOKGBTCSA-N 2 2 593.599 5.890 1 0 KKAFLP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000014139885 561736951 /nfs/dbraw/zinc/73/69/51/561736951.db2.gz MUQJKGMXKAWCJF-HKBQPEDESA-N 2 2 593.599 5.890 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014958012 561748042 /nfs/dbraw/zinc/74/80/42/561748042.db2.gz ZUHYQEOCWOQRFV-UHFFFAOYSA-N 2 2 526.648 6.091 1 0 KKAFLP CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 ZINC000014960866 561748450 /nfs/dbraw/zinc/74/84/50/561748450.db2.gz UIOVGRXEBWMUQT-LJAQVGFWSA-N 2 2 542.705 5.270 1 0 KKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2c(NC(=O)C(=O)Nc3cccc4c(N[C@@H](C)CCC[NH+](CC)CC)cc[nH+]c34)cccc12 ZINC000026170763 561769917 /nfs/dbraw/zinc/76/99/17/561769917.db2.gz XRKABRYLYFWQDP-HNRBIFIRSA-N 4 2 654.904 7.205 1 0 KKAFLP COc1ccccc1N1CC[NH+](CCc2ccc3c(c2)sc(=O)n3CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026575961 561799684 /nfs/dbraw/zinc/79/96/84/561799684.db2.gz COOVPPBNHHFYDF-UHFFFAOYSA-N 2 2 602.776 5.170 1 0 KKAFLP COc1c2ccoc2c(OC)c2oc(C[NH+]3CCC(C4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000026657751 561809793 /nfs/dbraw/zinc/80/97/93/561809793.db2.gz NEGZHVYJYCJOTB-UHFFFAOYSA-N 2 2 684.742 6.550 1 0 KKAFLP COc1c2c(c(OC)c3c(=O)cc(C[NH+]4CCC(CCC5CC[NH+](Cc6cc(=O)c7c(OC)c8c(c(OC)c7o6)OCC8)CC5)CC4)oc13)CCO2 ZINC000026657756 561809825 /nfs/dbraw/zinc/80/98/25/561809825.db2.gz KDOFRDPSCUEENX-UHFFFAOYSA-N 2 2 716.828 5.708 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCC(O)CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672434 561812701 /nfs/dbraw/zinc/81/27/01/561812701.db2.gz NYMHTAUWRGVXEZ-UHFFFAOYSA-N 3 2 508.066 5.013 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCN(c3ccccc3)CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026719699 561814927 /nfs/dbraw/zinc/81/49/27/561814927.db2.gz TZJKQRDXRIXPCK-UHFFFAOYSA-N 3 2 569.153 6.378 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCN(c3ccccc3)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026719699 561814928 /nfs/dbraw/zinc/81/49/28/561814928.db2.gz TZJKQRDXRIXPCK-UHFFFAOYSA-N 2 2 569.153 6.378 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000026726922 561816070 /nfs/dbraw/zinc/81/60/70/561816070.db2.gz RCZXTMTXMHGQDY-GASCZTMLSA-N 2 2 501.077 5.399 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843706 561826114 /nfs/dbraw/zinc/82/61/14/561826114.db2.gz QRZABLVSQLMLCO-LJAQVGFWSA-N 2 2 723.337 6.798 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836645 /nfs/dbraw/zinc/83/66/45/561836645.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 2 2 572.769 6.240 1 0 KKAFLP CCc1[nH+]c(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836647 /nfs/dbraw/zinc/83/66/47/561836647.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 2 2 572.769 6.240 1 0 KKAFLP CCc1[nH]c(Cc2ccccc2)[nH+]c1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836649 /nfs/dbraw/zinc/83/66/49/561836649.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 2 2 572.769 6.240 1 0 KKAFLP CCc1[nH]c(Cc2ccccc2)[nH+]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836651 /nfs/dbraw/zinc/83/66/51/561836651.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 2 2 572.769 6.240 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c2=O)CC1 ZINC000027105863 561840155 /nfs/dbraw/zinc/84/01/55/561840155.db2.gz WUFGLRYZWOUQQM-PMERELPUSA-N 2 2 679.306 5.419 1 0 KKAFLP Clc1ccc(OCc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000027193094 561843850 /nfs/dbraw/zinc/84/38/50/561843850.db2.gz RZOMPVHKLSITDV-UHFFFAOYSA-N 3 2 549.203 6.810 1 0 KKAFLP CN(C[C@H](c1ccccc1)[NH+]1CCC([NH+]2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027436973 561860190 /nfs/dbraw/zinc/86/01/90/561860190.db2.gz IXFOAHRLJSIABO-AREMUKBSSA-N 2 2 555.607 6.417 1 0 KKAFLP CCN(CC)c1ccc(N2CC[NH+](CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519605 561863188 /nfs/dbraw/zinc/86/31/88/561863188.db2.gz AGKOFSMXHVZNDI-FJCWQFAGSA-N 2 2 627.918 6.555 1 0 KKAFLP C[NH+](C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027526487 561866330 /nfs/dbraw/zinc/86/63/30/561866330.db2.gz XHDNGRRICXKPOW-UHFFFAOYSA-N 3 2 530.576 5.873 1 0 KKAFLP CN(CCCc1ccc(Cl)cc1)c1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027634149 561874165 /nfs/dbraw/zinc/87/41/65/561874165.db2.gz YELUHHBMJJFGFG-UHFFFAOYSA-N 2 2 572.157 5.276 1 0 KKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@@H](c2cccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)c2)N1 ZINC000027732640 561881374 /nfs/dbraw/zinc/88/13/74/561881374.db2.gz JGKAPLMXNSTCCA-QFIPXVFZSA-N 2 2 553.277 6.296 1 0 KKAFLP [NH3+][C@@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1 ZINC000028342037 561914257 /nfs/dbraw/zinc/91/42/57/561914257.db2.gz SJUIYCCLDVYYMH-VWLOTQADSA-N 2 2 517.573 5.183 1 0 KKAFLP O=C(NC[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471855 561927121 /nfs/dbraw/zinc/92/71/21/561927121.db2.gz YCGKTGCKPZIUKH-JOCHJYFZSA-N 2 2 525.524 5.691 1 0 KKAFLP O=C(NC[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471855 561927123 /nfs/dbraw/zinc/92/71/23/561927123.db2.gz YCGKTGCKPZIUKH-JOCHJYFZSA-N 2 2 525.524 5.691 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000028564740 561935739 /nfs/dbraw/zinc/93/57/39/561935739.db2.gz HKPCUIJZMRGJRZ-UHFFFAOYSA-N 2 2 611.625 5.051 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565028 561935915 /nfs/dbraw/zinc/93/59/15/561935915.db2.gz AGIZACGBAVDGOW-UHFFFAOYSA-N 2 2 654.669 5.142 1 0 KKAFLP CC(=O)c1cccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)c1 ZINC000028823396 561967920 /nfs/dbraw/zinc/96/79/20/561967920.db2.gz UUOLOHCQXWDKEB-UHFFFAOYSA-N 2 2 559.799 7.393 1 0 KKAFLP COC(=O)c1ccc(Nc2[nH+]c3ccc(C(=O)N(CCC(C)C)CCC(C)C)cc3n2CCC[NH+]2CCCCC2)cc1 ZINC000028823413 561968095 /nfs/dbraw/zinc/96/80/95/561968095.db2.gz MYSIKQWSAXYSAE-UHFFFAOYSA-N 2 2 575.798 6.977 1 0 KKAFLP CC(C)C[C@H]([NH2+]CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823899 561968560 /nfs/dbraw/zinc/96/85/60/561968560.db2.gz QASNNAVCCMXYPS-XTEPFMGCSA-N 2 2 642.594 5.530 1 0 KKAFLP C[NH+]1CCN(C(=O)c2cc3c4ccccc4n(CCC[NH+]4CCCCC4)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889689 561978158 /nfs/dbraw/zinc/97/81/58/561978158.db2.gz HOELLXZSKNZZQQ-UHFFFAOYSA-N 2 2 545.127 6.504 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1 ZINC000029126777 561998905 /nfs/dbraw/zinc/99/89/05/561998905.db2.gz XZZVNLYLIJCASD-UHFFFAOYSA-N 2 2 525.660 6.436 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)C[N@@H+]1CCc1c[nH]c2ccccc12 ZINC000029408536 562021179 /nfs/dbraw/zinc/02/11/79/562021179.db2.gz CYQLEMUNTGDXFB-NJMTUYGZSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)C[N@H+]1CCc1c[nH]c2ccccc12 ZINC000029408536 562021181 /nfs/dbraw/zinc/02/11/81/562021181.db2.gz CYQLEMUNTGDXFB-NJMTUYGZSA-N 3 2 584.805 5.035 1 0 KKAFLP COC(=O)[C@H](CCCC[NH3+])[NH+](Cc1cccc(OCc2ccccc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000029569996 562035418 /nfs/dbraw/zinc/03/54/18/562035418.db2.gz OSGDQNFBVUNFDC-UMSFTDKQSA-N 2 2 552.715 6.517 1 0 KKAFLP CCCCCCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036284897 562053501 /nfs/dbraw/zinc/05/35/01/562053501.db2.gz FCUDPMSGYHNKHY-ROJLCIKYSA-N 3 2 608.271 5.181 1 0 KKAFLP O=C(c1ccc(-c2c[nH+]c3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000043176701 562646668 /nfs/dbraw/zinc/64/66/68/562646668.db2.gz JVVGHVJDZJSKRA-UHFFFAOYSA-N 2 2 584.086 6.553 1 0 in-vitro KKAFLP Fc1ccc(Nc2nc(NC3CCCCC3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044307657 562654085 /nfs/dbraw/zinc/65/40/85/562654085.db2.gz YMGVGXIMDPLIFM-UHFFFAOYSA-N 2 2 576.124 5.935 1 0 KKAFLP CCc1ccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH+]2)cc1 ZINC000044307743 562654092 /nfs/dbraw/zinc/65/40/92/562654092.db2.gz QHVQCMAHEGNPBI-UHFFFAOYSA-N 2 2 534.586 5.888 1 0 KKAFLP Clc1ccc2c(NCC[NH+]3CCN(c4nc(Nc5ccccc5)nc(NC5CCCCC5)n4)CC3)cc[nH+]c2c1 ZINC000044352323 562655078 /nfs/dbraw/zinc/65/50/78/562655078.db2.gz DEUQALGXZWONGG-UHFFFAOYSA-N 2 2 558.134 5.796 1 0 KKAFLP COc1cc(C)[nH+]c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5[nH+]c(C)cc(OC)c5c4)cc3)cc21 ZINC000045168262 562658086 /nfs/dbraw/zinc/65/80/86/562658086.db2.gz IMGJIUCZUCQALK-UHFFFAOYSA-N 2 2 506.562 5.922 1 0 KKAFLP CCC[NH+](CCCN(CCC[N@@H+](CCC)C(C)C)c1cc(C)[nH+]c(Nc2ccc(Cl)cc2)n1)C(C)C ZINC000045189811 562658459 /nfs/dbraw/zinc/65/84/59/562658459.db2.gz WJUJKFDRJAUQIY-UHFFFAOYSA-N 3 2 517.206 7.009 1 0 KKAFLP CCC[NH+](CCCN(CCC[N@H+](CCC)C(C)C)c1cc(C)[nH+]c(Nc2ccc(Cl)cc2)n1)C(C)C ZINC000045189811 562658460 /nfs/dbraw/zinc/65/84/60/562658460.db2.gz WJUJKFDRJAUQIY-UHFFFAOYSA-N 3 2 517.206 7.009 1 0 KKAFLP O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3[nH]c4ccc(O)cc4[nH+]3)CC2)CC1 ZINC000045228687 562659494 /nfs/dbraw/zinc/65/94/94/562659494.db2.gz UVMNBMQAHZNMSN-QHHAFSJGSA-N 2 2 527.496 6.097 1 0 KKAFLP CCC[NH+](CCC)CCCN(CCC[NH+](CCC)CCC)c1cc(C)[nH+]c(Nc2ccc(Cl)cc2)n1 ZINC000045321709 562661058 /nfs/dbraw/zinc/66/10/58/562661058.db2.gz PQBFEZFFLSPOIZ-UHFFFAOYSA-N 3 2 517.206 7.013 1 0 KKAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368841 562662175 /nfs/dbraw/zinc/66/21/75/562662175.db2.gz AUCWQMMKRXKOPQ-UHFFFAOYSA-N 3 2 534.774 5.715 1 0 KKAFLP C[N@H+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368841 562662176 /nfs/dbraw/zinc/66/21/76/562662176.db2.gz AUCWQMMKRXKOPQ-UHFFFAOYSA-N 3 2 534.774 5.715 1 0 KKAFLP O=c1cc(NCCC[NH2+][C@H](C[NH2+]CCc2ccccc2)c2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605108 562665319 /nfs/dbraw/zinc/66/53/19/562665319.db2.gz PCSDQIHDKNLAEG-AREMUKBSSA-N 2 2 598.383 6.018 1 0 KKAFLP O=C(Nc1ccccc1F)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605648 562666135 /nfs/dbraw/zinc/66/61/35/562666135.db2.gz BBFJSRCGOGJAQE-UHFFFAOYSA-N 2 2 554.695 6.560 1 0 KKAFLP O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605734 562666295 /nfs/dbraw/zinc/66/62/95/562666295.db2.gz UPECNCZLZOVUOM-ROJLCIKYSA-N 2 2 576.770 6.454 1 0 KKAFLP O=C(NCCCN(Cc1ccc(F)cc1)c1cccc[nH+]1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049626128 562666990 /nfs/dbraw/zinc/66/69/90/562666990.db2.gz VUVGCMQHDHNXBM-VQJSHJPSSA-N 2 2 667.829 7.628 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)N[C@H]3C[C@H]3c3ccccc3)cs2)cc1 ZINC000049626518 562667209 /nfs/dbraw/zinc/66/72/09/562667209.db2.gz WBHJKHQFAXZOKA-VMPREFPWSA-N 2 2 542.753 6.054 1 0 KKAFLP CC1(C)[C@@H]2C[C@H]1[C@H](CNc1nc(NCC(=O)Nc3ccc4ccccc4c3)nc(N3CCC([NH+]4CCCC4)CC3)[nH+]1)CC2 ZINC000049627032 562667509 /nfs/dbraw/zinc/66/75/09/562667509.db2.gz UNDGXHIXXWQLET-ZEZDXWPOSA-N 2 2 582.797 5.624 1 0 KKAFLP CC1(C)[C@@H]2C[C@H]1[C@H](CNc1nc(NCC(=O)Nc3ccc4ccccc4c3)[nH+]c(N3CCC([NH+]4CCCC4)CC3)n1)CC2 ZINC000049627032 562667510 /nfs/dbraw/zinc/66/75/10/562667510.db2.gz UNDGXHIXXWQLET-ZEZDXWPOSA-N 2 2 582.797 5.624 1 0 KKAFLP CCOP(=O)(OCC)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([C@@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708918 562671135 /nfs/dbraw/zinc/67/11/35/562671135.db2.gz GCQPKRXHOAIDEP-TYHGNQNSSA-N 2 2 694.750 8.843 1 0 KKAFLP C[N@@H+]1CCc2c3ccccc3[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[NH+]4[C@H]12)C3 ZINC000049710243 562671602 /nfs/dbraw/zinc/67/16/02/562671602.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 3 2 566.834 6.380 1 0 KKAFLP C[N@H+]1CCc2c3ccccc3[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[NH+]4[C@H]12)C3 ZINC000049710243 562671603 /nfs/dbraw/zinc/67/16/03/562671603.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 3 2 566.834 6.380 1 0 KKAFLP C[NH+]1CCc2c3ccccc3[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 562671604 /nfs/dbraw/zinc/67/16/04/562671604.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 3 2 566.834 6.380 1 0 KKAFLP C[NH+]1CCc2c3ccccc3[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 562671605 /nfs/dbraw/zinc/67/16/05/562671605.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 3 2 566.834 6.380 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(I)c(OCC[NH+]3CCCC3)c2)C1 ZINC000049744816 562673467 /nfs/dbraw/zinc/67/34/67/562673467.db2.gz CCHSUWSKMASWKO-BDYUSTAISA-N 2 2 688.676 5.516 1 0 KKAFLP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(I)c(OCC[NH+]3CCCC3)c2)C1 ZINC000049744816 562673468 /nfs/dbraw/zinc/67/34/68/562673468.db2.gz CCHSUWSKMASWKO-BDYUSTAISA-N 2 2 688.676 5.516 1 0 KKAFLP CCNc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)c[nH+]1 ZINC000049777684 562680399 /nfs/dbraw/zinc/68/03/99/562680399.db2.gz VHVPOXNMDWTTLR-DAANFHMWSA-N 2 2 539.715 5.057 1 0 KKAFLP CCNc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)c[nH+]1 ZINC000049777684 562680400 /nfs/dbraw/zinc/68/04/00/562680400.db2.gz VHVPOXNMDWTTLR-DAANFHMWSA-N 2 2 539.715 5.057 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049783928 562683323 /nfs/dbraw/zinc/68/33/23/562683323.db2.gz YFPJWCABOINEPJ-XPSQVAKYSA-N 2 2 556.750 6.932 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049783928 562683324 /nfs/dbraw/zinc/68/33/24/562683324.db2.gz YFPJWCABOINEPJ-XPSQVAKYSA-N 2 2 556.750 6.932 1 0 KKAFLP c1ccc2c(c1)CC[N@@H+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049784296 562683559 /nfs/dbraw/zinc/68/35/59/562683559.db2.gz WLXOCNXXBZJGFO-LQDDJWCHSA-N 2 2 584.804 7.712 1 0 KKAFLP c1ccc2c(c1)CC[N@H+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[NH+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049784296 562683560 /nfs/dbraw/zinc/68/35/60/562683560.db2.gz WLXOCNXXBZJGFO-LQDDJWCHSA-N 2 2 584.804 7.712 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[N@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049784296 562683561 /nfs/dbraw/zinc/68/35/61/562683561.db2.gz WLXOCNXXBZJGFO-LQDDJWCHSA-N 2 2 584.804 7.712 1 0 KKAFLP c1ccc2c(c1)CC[NH+]1CCc3cc(OCCCCCCOc4ccc5c(c4)CC[N@@H+]4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049784296 562683562 /nfs/dbraw/zinc/68/35/62/562683562.db2.gz WLXOCNXXBZJGFO-LQDDJWCHSA-N 2 2 584.804 7.712 1 0 KKAFLP COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000049832998 562687411 /nfs/dbraw/zinc/68/74/11/562687411.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CC[NH+]2C)cc1 ZINC000049832998 562687412 /nfs/dbraw/zinc/68/74/12/562687412.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CC[N@H+]2C)cc1 ZINC000049832998 562687413 /nfs/dbraw/zinc/68/74/13/562687413.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CC[N@@H+]2C)cc1 ZINC000049832998 562687414 /nfs/dbraw/zinc/68/74/14/562687414.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 2 2 668.787 6.457 1 0 KKAFLP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCn3cc[nH+]c3)C(=O)[C@@H]3COc4ccccc4O3)cs2)cc1 ZINC000049918140 562694474 /nfs/dbraw/zinc/69/44/74/562694474.db2.gz XBRJRQXGAQVGAQ-NDEPHWFRSA-N 2 2 545.709 5.155 1 0 KKAFLP Cc1nc(Nc2[nH+]ccn2-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230348 562696685 /nfs/dbraw/zinc/69/66/85/562696685.db2.gz HWOFUQCIZZVQMK-UHFFFAOYSA-N 2 2 566.588 5.182 1 0 KKAFLP C[NH+]1CCN(c2cc(-n3cc[nH+]c3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053294808 562697278 /nfs/dbraw/zinc/69/72/78/562697278.db2.gz DYHGXVWUXCUFSP-UHFFFAOYSA-N 2 2 578.521 5.819 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@H+]1C ZINC000058554957 562699268 /nfs/dbraw/zinc/69/92/68/562699268.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000058554957 562699269 /nfs/dbraw/zinc/69/92/69/562699269.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000058554957 562699270 /nfs/dbraw/zinc/69/92/70/562699270.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CC[NH+]1C ZINC000058554957 562699271 /nfs/dbraw/zinc/69/92/71/562699271.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP O=C(CCC[NH2+]Cc1c(Cl)cccc1Cl)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058568544 562699489 /nfs/dbraw/zinc/69/94/89/562699489.db2.gz SXZPHXWUKCRLIY-NDEPHWFRSA-N 2 2 530.927 6.450 1 0 KKAFLP CC(=O)Nc1cccc(N2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583337 562700096 /nfs/dbraw/zinc/70/00/96/562700096.db2.gz PBVBPXGSZSMYCO-UHFFFAOYSA-N 2 2 503.050 5.262 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000058583581 562700106 /nfs/dbraw/zinc/70/01/06/562700106.db2.gz CJMPRNGIJURBAZ-UHFFFAOYSA-N 2 2 565.640 6.623 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000058590919 562700372 /nfs/dbraw/zinc/70/03/72/562700372.db2.gz GMGCMYUGTUXMIL-UHFFFAOYSA-N 2 2 545.709 5.069 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccccc2)nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000066077295 562710291 /nfs/dbraw/zinc/71/02/91/562710291.db2.gz KASDFPKTJBBKGT-UHFFFAOYSA-N 2 2 554.102 7.058 1 0 KKAFLP CCc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071280569 562716566 /nfs/dbraw/zinc/71/65/66/562716566.db2.gz CUMDMOOQNRMOBT-BETPUDKTSA-N 2 2 546.759 7.031 1 0 KKAFLP CCc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071280569 562716567 /nfs/dbraw/zinc/71/65/67/562716567.db2.gz CUMDMOOQNRMOBT-BETPUDKTSA-N 2 2 546.759 7.031 1 0 KKAFLP C[C@H]1C=C(CCCCCCCCC[NH2+]CC[NH2+]C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071335147 562719682 /nfs/dbraw/zinc/71/96/82/562719682.db2.gz MMIAMAPNSXHRDA-PNIUZAESSA-N 2 2 520.755 5.121 1 0 KKAFLP COC(=O)[C@H]([NH3+])CCOc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccn3)cc2OCC[C@H]([NH3+])C(=O)OC)s1 ZINC000072112097 562722011 /nfs/dbraw/zinc/72/20/11/562722011.db2.gz UPTGQDHGSCMTPU-HNRBIFIRSA-N 2 2 736.855 5.285 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129849 562726503 /nfs/dbraw/zinc/72/65/03/562726503.db2.gz ALRLDFZCRHXLMW-ULJKERAFSA-N 2 2 680.702 6.731 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129849 562726504 /nfs/dbraw/zinc/72/65/04/562726504.db2.gz ALRLDFZCRHXLMW-ULJKERAFSA-N 2 2 680.702 6.731 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072162121 562730197 /nfs/dbraw/zinc/73/01/97/562730197.db2.gz MGGHUDXSRZOVRJ-ZVBBVAIHSA-N 2 2 715.147 7.385 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072162121 562730198 /nfs/dbraw/zinc/73/01/98/562730198.db2.gz MGGHUDXSRZOVRJ-ZVBBVAIHSA-N 2 2 715.147 7.385 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180648 562732552 /nfs/dbraw/zinc/73/25/52/562732552.db2.gz DWRSFLPJFKITBF-MRXNPFEDSA-N 2 2 517.432 5.742 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(F)ccc(F)c1Cl ZINC000072183500 562732967 /nfs/dbraw/zinc/73/29/67/562732967.db2.gz WONIGLPPCGGIDN-XMSQKQJNSA-N 2 2 541.042 6.103 1 0 KKAFLP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1ccc(-c3cccc(C[NH+]4Cc5ccccc5C4)c3)cc1)ccc2O ZINC000073197707 562735436 /nfs/dbraw/zinc/73/54/36/562735436.db2.gz XYMOHROKZRXUHD-LJAQVGFWSA-N 2 2 537.685 5.344 1 0 KKAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)[NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC000073280284 562737460 /nfs/dbraw/zinc/73/74/60/562737460.db2.gz XXWFSNOROXVFAO-UUWRZZSWSA-N 2 2 620.835 5.038 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073390986 562738650 /nfs/dbraw/zinc/73/86/50/562738650.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[NH+](C)CC3 ZINC000073390986 562738651 /nfs/dbraw/zinc/73/86/51/562738651.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@H+](C)CC3 ZINC000073390986 562738652 /nfs/dbraw/zinc/73/86/52/562738652.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)[N@@H+](C)CC3 ZINC000073390986 562738653 /nfs/dbraw/zinc/73/86/53/562738653.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 2 2 576.693 6.831 1 0 KKAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082149729 562739729 /nfs/dbraw/zinc/73/97/29/562739729.db2.gz RMGCGPJQYHWELG-SSEXGKCCSA-N 2 2 660.042 6.019 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082152197 562740015 /nfs/dbraw/zinc/74/00/15/562740015.db2.gz MXQUYHYUVZZMQP-WJOKGBTCSA-N 2 2 655.161 5.559 1 0 KKAFLP Cc1cc(N2CC[NH+]([C@H](C(=O)NC3CCCC3)c3ccc(-c4ccccc4)cc3)CC2)c2ccccc2[nH+]1 ZINC000095567745 562766014 /nfs/dbraw/zinc/76/60/14/562766014.db2.gz NQPUPOVUVGQHQG-YTTGMZPUSA-N 2 2 504.678 6.132 3 0 KKAFLP CCCC[C@H](OC(=O)C[NH+]1CCCC1)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@H](CCCC)OC(=O)C[NH+]1CCCC1 ZINC000095581410 562772166 /nfs/dbraw/zinc/77/21/66/562772166.db2.gz FAGSBLZOBVEPGN-IOIJEIMKSA-N 2 2 748.914 5.976 1 0 KKAFLP COCCc1sc[n+](CCOc2ccc(Cc3ccc(OCC[n+]4csc(CCOC)c4C)cc3)cc2)c1C ZINC000095593480 562776229 /nfs/dbraw/zinc/77/62/29/562776229.db2.gz SCXRDCZRSNIQHL-UHFFFAOYSA-N 2 2 568.805 5.128 1 0 KKAFLP CN(CC[NH+]1CCCCC1)Cc1c[nH+]c(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909364 562799560 /nfs/dbraw/zinc/79/95/60/562799560.db2.gz ZARZGMZWVQWUJG-UHFFFAOYSA-N 2 2 744.903 8.060 1 0 KKAFLP COc1ccc(C[C@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913941 562800596 /nfs/dbraw/zinc/80/05/96/562800596.db2.gz MMCZBTWRJUEGHU-PMERELPUSA-N 2 2 587.761 5.035 1 0 KKAFLP COc1ccc(C[C@H]2c3cc(OCC[NH+]4CCCCC4)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913941 562800597 /nfs/dbraw/zinc/80/05/97/562800597.db2.gz MMCZBTWRJUEGHU-PMERELPUSA-N 2 2 587.761 5.035 1 0 KKAFLP Nc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(OCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)c1 ZINC000096940185 562804839 /nfs/dbraw/zinc/80/48/39/562804839.db2.gz MURHIZGVHFAODU-UHFFFAOYSA-N 2 2 594.159 6.824 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000100076227 562806595 /nfs/dbraw/zinc/80/65/95/562806595.db2.gz ZCRCVSPHENOIHO-PKQPGRETSA-N 2 2 558.702 5.532 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000100076227 562806596 /nfs/dbraw/zinc/80/65/96/562806596.db2.gz ZCRCVSPHENOIHO-PKQPGRETSA-N 2 2 558.702 5.532 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CC1)C2 ZINC000100076424 562806692 /nfs/dbraw/zinc/80/66/92/562806692.db2.gz FFFPZUZINGLABU-CSSKISATSA-N 2 2 580.777 6.091 1 0 KKAFLP Cc1[nH+]c2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CC1)C2 ZINC000100076424 562806693 /nfs/dbraw/zinc/80/66/93/562806693.db2.gz FFFPZUZINGLABU-CSSKISATSA-N 2 2 580.777 6.091 1 0 KKAFLP [NH2+]=C(NO)c1cccc(N2C(=O)N(c3cccc(C([NH3+])C=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000101003361 562808620 /nfs/dbraw/zinc/80/86/20/562808620.db2.gz RSDCQRDGVPPDHN-XYRIMNNSSA-N 2 2 577.685 5.226 1 0 KKAFLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809847 /nfs/dbraw/zinc/80/98/47/562809847.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 3 2 576.785 6.851 1 0 KKAFLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809848 /nfs/dbraw/zinc/80/98/48/562809848.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 3 2 576.785 6.851 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193592 562809875 /nfs/dbraw/zinc/80/98/75/562809875.db2.gz YOJOIMABKIOJRY-MOYSKTIJSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193592 562809876 /nfs/dbraw/zinc/80/98/76/562809876.db2.gz YOJOIMABKIOJRY-MOYSKTIJSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193589 562809907 /nfs/dbraw/zinc/80/99/07/562809907.db2.gz PJUZFIMJBIWYQW-MOYSKTIJSA-N 2 2 590.812 7.379 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193589 562809908 /nfs/dbraw/zinc/80/99/08/562809908.db2.gz PJUZFIMJBIWYQW-MOYSKTIJSA-N 2 2 590.812 7.379 1 0 KKAFLP CC1CC[NH+](CC2(O)CC[NH+](Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000103175740 562815071 /nfs/dbraw/zinc/81/50/71/562815071.db2.gz NSMOPVPYVGXDIL-UHFFFAOYSA-N 2 2 521.927 5.740 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225789 562817781 /nfs/dbraw/zinc/81/77/81/562817781.db2.gz IJDZPNGINLWIJW-PJMCFOBISA-N 2 2 556.776 6.181 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225789 562817782 /nfs/dbraw/zinc/81/77/82/562817782.db2.gz IJDZPNGINLWIJW-PJMCFOBISA-N 2 2 556.776 6.181 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227162 562817862 /nfs/dbraw/zinc/81/78/62/562817862.db2.gz SCNLACQHVSYICA-UUQNIDNHSA-N 2 2 562.749 7.145 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227162 562817863 /nfs/dbraw/zinc/81/78/63/562817863.db2.gz SCNLACQHVSYICA-UUQNIDNHSA-N 2 2 562.749 7.145 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227185 562817894 /nfs/dbraw/zinc/81/78/94/562817894.db2.gz SCDVTYVEEOZJQT-BPXGVECKSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227185 562817895 /nfs/dbraw/zinc/81/78/95/562817895.db2.gz SCDVTYVEEOZJQT-BPXGVECKSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233999 562818570 /nfs/dbraw/zinc/81/85/70/562818570.db2.gz BMQGIPHCTZAMMW-CSSKISATSA-N 2 2 532.732 6.777 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233999 562818571 /nfs/dbraw/zinc/81/85/71/562818571.db2.gz BMQGIPHCTZAMMW-CSSKISATSA-N 2 2 532.732 6.777 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000114034062 562826978 /nfs/dbraw/zinc/82/69/78/562826978.db2.gz NTHNZJUGMUPVGV-UHFFFAOYSA-N 2 2 508.037 6.305 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@@H]2CC[NH2+]C2)nc1)C1CC1 ZINC000114034032 562826994 /nfs/dbraw/zinc/82/69/94/562826994.db2.gz PAAMSHAMIHCIMN-LJQANCHMSA-N 2 2 517.992 5.905 1 0 KKAFLP CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000114038588 562827307 /nfs/dbraw/zinc/82/73/07/562827307.db2.gz SEJZFWICWCOFAN-UHFFFAOYSA-N 2 2 538.107 7.838 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000114038414 562827333 /nfs/dbraw/zinc/82/73/33/562827333.db2.gz PEAZQTKOWOEYCZ-MOBUCQHHSA-N 2 2 512.481 7.039 1 0 KKAFLP C[NH2+][C@@H]1CCCN(c2ccc(Nc3c(C(C)=O)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039262 562827401 /nfs/dbraw/zinc/82/74/01/562827401.db2.gz NBKZPCDCUOTJOH-HXUWFJFHSA-N 2 2 520.008 5.929 1 0 KKAFLP C[NH2+][C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039438 562827429 /nfs/dbraw/zinc/82/74/29/562827429.db2.gz PWVMODVQUPGFRS-FQEVSTJZSA-N 2 2 532.019 5.929 1 0 KKAFLP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000146350072 562838470 /nfs/dbraw/zinc/83/84/70/562838470.db2.gz NWVNPWZUKXKBRN-PSXMRANNSA-N 2 2 639.804 6.601 1 0 KKAFLP Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5cc(C6CC[NH+](C7CCCC7)CC6)ccc5[nH]4)c3N)cc2[nH+]1 ZINC000150123919 562842878 /nfs/dbraw/zinc/84/28/78/562842878.db2.gz LXTAEWHGOAKRPZ-UHFFFAOYSA-N 2 2 507.642 5.474 1 0 KKAFLP Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5cc(C6CC[NH+](C7CCCC7)CC6)ccc5[nH]4)c3N)ccc2[nH+]1 ZINC000150123919 562842879 /nfs/dbraw/zinc/84/28/79/562842879.db2.gz LXTAEWHGOAKRPZ-UHFFFAOYSA-N 2 2 507.642 5.474 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[N@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000161513346 562849166 /nfs/dbraw/zinc/84/91/66/562849166.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[N@@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000161513346 562849167 /nfs/dbraw/zinc/84/91/67/562849167.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[NH+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000161513346 562849168 /nfs/dbraw/zinc/84/91/68/562849168.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[NH+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000161513346 562849169 /nfs/dbraw/zinc/84/91/69/562849169.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C[C@@H]6CCC[N@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529100 562849372 /nfs/dbraw/zinc/84/93/72/562849372.db2.gz ZOZVPIRGEIVLGJ-JOCHJYFZSA-N 2 2 649.722 5.215 1 0 KKAFLP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C[C@@H]6CCC[N@@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529100 562849373 /nfs/dbraw/zinc/84/93/73/562849373.db2.gz ZOZVPIRGEIVLGJ-JOCHJYFZSA-N 2 2 649.722 5.215 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@@H+](C)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000169292234 562852005 /nfs/dbraw/zinc/85/20/05/562852005.db2.gz LYFVNBVFJKZHQF-OIVXELCOSA-N 2 2 837.805 7.440 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@H+](C)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000169292234 562852006 /nfs/dbraw/zinc/85/20/06/562852006.db2.gz LYFVNBVFJKZHQF-OIVXELCOSA-N 2 2 837.805 7.440 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3 ZINC000169292234 562852007 /nfs/dbraw/zinc/85/20/07/562852007.db2.gz LYFVNBVFJKZHQF-OIVXELCOSA-N 2 2 837.805 7.440 1 0 KKAFLP C[NH+](CCOC(=O)CCCCCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1[nH]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3 ZINC000169292234 562852008 /nfs/dbraw/zinc/85/20/08/562852008.db2.gz LYFVNBVFJKZHQF-OIVXELCOSA-N 2 2 837.805 7.440 1 0 KKAFLP COc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)cc1OC ZINC000169323811 562857199 /nfs/dbraw/zinc/85/71/99/562857199.db2.gz ZJRKUHPKZZUWOF-UHFFFAOYSA-N 2 2 642.164 6.455 1 0 KKAFLP O=C(OC[C@H]([C@@H]1CCC[NH2+]C1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353030 562863384 /nfs/dbraw/zinc/86/33/84/562863384.db2.gz OVBWQROKKIVGSL-WECIHKQLSA-N 2 2 638.816 7.102 1 0 KKAFLP Nc1[nH+]cccc1-c1nc2ccc(-c3cccc(N4CCC(C(=O)N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697641 562866522 /nfs/dbraw/zinc/86/65/22/562866522.db2.gz AGFPUGFDIATFEQ-UHFFFAOYSA-N 2 2 628.781 5.145 1 0 KKAFLP O=C(CC[NH+]1CCOCC1)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC(=O)CC[NH+]3CCOCC3)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698223 562867046 /nfs/dbraw/zinc/86/70/46/562867046.db2.gz FBGOFGHVFTXEHV-AQOUDTPCSA-N 2 2 875.858 5.152 1 0 KKAFLP O=C(CC[NH+]1CCOCC1)O[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC(=O)CC[NH+]3CCOCC3)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698224 562867049 /nfs/dbraw/zinc/86/70/49/562867049.db2.gz FBGOFGHVFTXEHV-HEVIKAOCSA-N 2 2 875.858 5.152 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CCC[C@@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000203796980 562874170 /nfs/dbraw/zinc/87/41/70/562874170.db2.gz WKKSKJNWVQVTNS-LJQANCHMSA-N 2 2 518.017 5.538 1 0 KKAFLP C[N@@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874234 /nfs/dbraw/zinc/87/42/34/562874234.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N 2 2 520.008 6.199 1 0 KKAFLP C[N@@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874236 /nfs/dbraw/zinc/87/42/36/562874236.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N 2 2 520.008 6.199 1 0 KKAFLP C[N@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874237 /nfs/dbraw/zinc/87/42/37/562874237.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N 2 2 520.008 6.199 1 0 KKAFLP CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4ccc(O)c(Cl)c4)cc32)CC1 ZINC000203988633 562874258 /nfs/dbraw/zinc/87/42/58/562874258.db2.gz DZDARFCJHZAVHT-UHFFFAOYSA-N 2 2 520.117 7.699 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000203989523 562874332 /nfs/dbraw/zinc/87/43/32/562874332.db2.gz LKIXDAQTHJLSEQ-GOSISDBHSA-N 2 2 505.981 5.669 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000215726605 562877427 /nfs/dbraw/zinc/87/74/27/562877427.db2.gz BSUROGRRTPDFFP-UHFFFAOYSA-N 2 2 520.073 6.174 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C(C)C)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219353419 562878096 /nfs/dbraw/zinc/87/80/96/562878096.db2.gz PRLCXMCWAAOYGC-UHFFFAOYSA-N 2 2 532.044 5.656 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000219350803 562878099 /nfs/dbraw/zinc/87/80/99/562878099.db2.gz GGFWXWRBUCEBMY-UHFFFAOYSA-N 2 2 503.990 5.020 1 0 KKAFLP [NH3+][C@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869025 562895229 /nfs/dbraw/zinc/89/52/29/562895229.db2.gz SZSYIYAPDDFJLI-QHCPKHFHSA-N 2 2 520.464 6.273 1 0 KKAFLP [NH3+][C@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299869025 562895230 /nfs/dbraw/zinc/89/52/30/562895230.db2.gz SZSYIYAPDDFJLI-QHCPKHFHSA-N 2 2 520.464 6.273 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(cc[nH+]c4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473093465 562897765 /nfs/dbraw/zinc/89/77/65/562897765.db2.gz UHYFXOCDZTVOCT-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(cc[nH+]c4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000473093465 562897766 /nfs/dbraw/zinc/89/77/66/562897766.db2.gz UHYFXOCDZTVOCT-UHFFFAOYSA-N 2 2 631.173 7.343 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[NH+]5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473159282 562902693 /nfs/dbraw/zinc/90/26/93/562902693.db2.gz ZLIOSGIOAZAMMG-LSNLESRRSA-N 2 2 563.142 5.502 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000473179704 562903440 /nfs/dbraw/zinc/90/34/40/562903440.db2.gz BMOCLKLZKOXJNI-DUXKGJEZSA-N 3 2 511.041 5.028 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000473179704 562903441 /nfs/dbraw/zinc/90/34/41/562903441.db2.gz BMOCLKLZKOXJNI-DUXKGJEZSA-N 3 2 511.041 5.028 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3cc(C(F)(F)F)c(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473183156 562903567 /nfs/dbraw/zinc/90/35/67/562903567.db2.gz OWSODXICOGXEQP-RZDIXWSQSA-N 2 2 564.023 6.966 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607084 562905413 /nfs/dbraw/zinc/90/54/13/562905413.db2.gz JDWTWPKCJRCHIA-FIBWVYCGSA-N 2 2 640.206 5.762 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607084 562905414 /nfs/dbraw/zinc/90/54/14/562905414.db2.gz JDWTWPKCJRCHIA-FIBWVYCGSA-N 2 2 640.206 5.762 1 0 KKAFLP C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607085 562905429 /nfs/dbraw/zinc/90/54/29/562905429.db2.gz JDWTWPKCJRCHIA-OFSOJUDTSA-N 2 2 640.206 5.762 1 0 KKAFLP C[N@H+]1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607085 562905430 /nfs/dbraw/zinc/90/54/30/562905430.db2.gz JDWTWPKCJRCHIA-OFSOJUDTSA-N 2 2 640.206 5.762 1 0 KKAFLP Fc1cccc(COc2ccc([NH+]=C3NC=[NH+][C@@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@H]34)cc2Cl)c1 ZINC000474609925 562905753 /nfs/dbraw/zinc/90/57/53/562905753.db2.gz XISMJZPTIYZMMN-NAKRPHOHSA-N 2 2 549.071 6.272 1 0 KKAFLP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916442 /nfs/dbraw/zinc/91/64/42/562916442.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 2 2 531.663 5.780 1 0 KKAFLP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916443 /nfs/dbraw/zinc/91/64/43/562916443.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 2 2 531.663 5.780 1 0 KKAFLP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916444 /nfs/dbraw/zinc/91/64/44/562916444.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 2 2 531.663 5.780 1 0 KKAFLP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916445 /nfs/dbraw/zinc/91/64/45/562916445.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 2 2 531.663 5.780 1 0 KKAFLP CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3cc[nH+]c(N)c3)C(=O)O/C4=C\C[C@H](C)C[NH2+]C)[C@@H]21 ZINC000085571221 291919918 /nfs/dbraw/zinc/91/99/18/291919918.db2.gz VKNXCBCVLXLLEV-VXBZGXRLSA-N 2 2 529.681 5.163 1 0 biogenic,in-vitro KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(F)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000003821182 561683328 /nfs/dbraw/zinc/68/33/28/561683328.db2.gz MRNKXWGUIXOUOG-UHFFFAOYSA-N 2 2 535.752 7.329 1 0 KKAFLP C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)C(C)(C)C ZINC000003975897 561691973 /nfs/dbraw/zinc/69/19/73/561691973.db2.gz RTUNBOPBBCULLC-DEOSSOPVSA-N 2 2 512.742 6.517 1 0 in-vitro KKAFLP CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1-c1ccccc1C)C(=O)OC1CCCCC1 ZINC000013533236 561717775 /nfs/dbraw/zinc/71/77/75/561717775.db2.gz BIJVUDDMIFVIGJ-NDEPHWFRSA-N 2 2 534.726 5.402 1 0 KKAFLP CCCC[C@H]1CCc2cc(C(=O)C(C)C)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740445 561726042 /nfs/dbraw/zinc/72/60/42/561726042.db2.gz HGRLRYSQVKQOPB-MHZLTWQESA-N 2 2 500.731 6.534 1 0 KKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2c(NC(=O)C(=O)Nc3cccc4c(N[C@H](C)CCC[NH+](CC)CC)cc[nH+]c34)cccc12 ZINC000026170772 561769936 /nfs/dbraw/zinc/76/99/36/561769936.db2.gz XRKABRYLYFWQDP-VSGBNLITSA-N 4 2 654.904 7.205 1 0 KKAFLP COc1ccc([C@@H](CCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1cc[nH+]c1 ZINC000026267282 561776552 /nfs/dbraw/zinc/77/65/52/561776552.db2.gz CNORTMXIZFGKGH-DIPNUNPCSA-N 2 2 629.867 8.139 1 0 KKAFLP COc1ccc([C@@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1cc[nH+]c1 ZINC000026267282 561776555 /nfs/dbraw/zinc/77/65/55/561776555.db2.gz CNORTMXIZFGKGH-DIPNUNPCSA-N 2 2 629.867 8.139 1 0 KKAFLP Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3 ZINC000026403897 561789255 /nfs/dbraw/zinc/78/92/55/561789255.db2.gz PWQSGDXLYIZACP-VWLOTQADSA-N 2 2 512.654 5.321 1 0 KKAFLP COc1c2ccoc2c(OC)c2oc(C[NH+]3CCC(CCCC4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000026580033 561805364 /nfs/dbraw/zinc/80/53/64/561805364.db2.gz SMHRGLHBJXWIIW-UHFFFAOYSA-N 2 2 726.823 7.721 1 0 KKAFLP O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH+]c[nH]1)CC1CCCCC1 ZINC000026647196 561807683 /nfs/dbraw/zinc/80/76/83/561807683.db2.gz PSWYHQCKXJITGM-UHFFFAOYSA-N 2 2 535.541 5.820 1 0 KKAFLP O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH]c[nH+]1)CC1CCCCC1 ZINC000026647196 561807684 /nfs/dbraw/zinc/80/76/84/561807684.db2.gz PSWYHQCKXJITGM-UHFFFAOYSA-N 2 2 535.541 5.820 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672858 561812874 /nfs/dbraw/zinc/81/28/74/561812874.db2.gz UTVDTDOKYZNOBC-UHFFFAOYSA-N 3 2 590.171 7.935 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672858 561812875 /nfs/dbraw/zinc/81/28/75/561812875.db2.gz UTVDTDOKYZNOBC-UHFFFAOYSA-N 2 2 590.171 7.935 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672993 561813019 /nfs/dbraw/zinc/81/30/19/561813019.db2.gz KELBGYUMHHRSDV-UHFFFAOYSA-N 3 2 550.103 5.585 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672993 561813021 /nfs/dbraw/zinc/81/30/21/561813021.db2.gz KELBGYUMHHRSDV-UHFFFAOYSA-N 2 2 550.103 5.585 1 0 KKAFLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848230 561826880 /nfs/dbraw/zinc/82/68/80/561826880.db2.gz YYLWLQSLLOQPBL-GDLZYMKVSA-N 2 2 565.545 5.273 1 0 KKAFLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000026851731 561827260 /nfs/dbraw/zinc/82/72/60/561827260.db2.gz HOLYVOXJFVZCRT-XIFFEERXSA-N 2 2 650.651 5.849 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC000027081955 561835333 /nfs/dbraw/zinc/83/53/33/561835333.db2.gz PIAPBQYSIJZAPM-MUQYBZNMSA-N 2 2 687.907 5.080 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC000027081955 561835335 /nfs/dbraw/zinc/83/53/35/561835335.db2.gz PIAPBQYSIJZAPM-MUQYBZNMSA-N 2 2 687.907 5.080 1 0 KKAFLP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000026990503 561832565 /nfs/dbraw/zinc/83/25/65/561832565.db2.gz YEPFSMKOUMZYJN-NGFHQYDQSA-N 2 2 576.829 7.770 1 0 KKAFLP CCN(CC)c1ccc(N2CC[NH+](CC(=O)[C@H]3[C@H](C)C[C@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519608 561863195 /nfs/dbraw/zinc/86/31/95/561863195.db2.gz AGKOFSMXHVZNDI-DFAXFWRBSA-N 2 2 627.918 6.555 1 0 KKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Br)cc2CO)CC1 ZINC000027547942 561867299 /nfs/dbraw/zinc/86/72/99/561867299.db2.gz VSDGMNFJZBSRSC-UHFFFAOYSA-N 2 2 503.506 5.304 1 0 KKAFLP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCCCc2ccc3c[nH+]ccc3c2)c1 ZINC000027897128 561890426 /nfs/dbraw/zinc/89/04/26/561890426.db2.gz JNDYSDUBUODZKY-LQVXTUBTSA-N 2 2 626.889 9.147 1 0 KKAFLP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c[nH+]c3c2)c1 ZINC000027982102 561891831 /nfs/dbraw/zinc/89/18/31/561891831.db2.gz RXVQNEUGWIPVMN-WDEPAJCISA-N 2 2 587.812 7.695 1 0 KKAFLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1 ZINC000028331031 561912727 /nfs/dbraw/zinc/91/27/27/561912727.db2.gz YXAMYMSRDBPPGO-UHFFFAOYSA-N 3 2 504.162 6.481 1 0 KKAFLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1 ZINC000028331031 561912728 /nfs/dbraw/zinc/91/27/28/561912728.db2.gz YXAMYMSRDBPPGO-UHFFFAOYSA-N 3 2 504.162 6.481 1 0 KKAFLP O=C(Cc1ccc(Cl)cc1Cl)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714018 561954480 /nfs/dbraw/zinc/95/44/80/561954480.db2.gz RAQDPXJBICSOMR-UHFFFAOYSA-N 2 2 548.946 5.364 1 0 KKAFLP O=C(Cc1ccc(Cl)cc1Cl)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000028714018 561954481 /nfs/dbraw/zinc/95/44/81/561954481.db2.gz RAQDPXJBICSOMR-UHFFFAOYSA-N 2 2 548.946 5.364 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3cccc4[nH]ccc43)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823424 561968086 /nfs/dbraw/zinc/96/80/86/561968086.db2.gz SIQLELUWBJDOKJ-UHFFFAOYSA-N 2 2 556.799 7.672 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986505 /nfs/dbraw/zinc/98/65/05/561986505.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986506 /nfs/dbraw/zinc/98/65/06/561986506.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](Cc3ccco3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986507 /nfs/dbraw/zinc/98/65/07/561986507.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 2 2 567.731 5.353 1 0 KKAFLP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](Cc3ccco3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986508 /nfs/dbraw/zinc/98/65/08/561986508.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 2 2 567.731 5.353 1 0 KKAFLP CCCCN(CCCC)c1nc(NCCC[NH+](CCCC)CCCC)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038878 561989482 /nfs/dbraw/zinc/98/94/82/561989482.db2.gz ULCDTMVKERWSEO-UHFFFAOYSA-N 2 2 541.873 7.363 1 0 KKAFLP CCCCN(CCCC)c1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCC[NH+](CCCC)CCCC)[nH+]1 ZINC000029038878 561989483 /nfs/dbraw/zinc/98/94/83/561989483.db2.gz ULCDTMVKERWSEO-UHFFFAOYSA-N 2 2 541.873 7.363 1 0 KKAFLP CCCCN(CCCC)c1nc(NCCC[NH+](CCCC)CCCC)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038878 561989484 /nfs/dbraw/zinc/98/94/84/561989484.db2.gz ULCDTMVKERWSEO-UHFFFAOYSA-N 2 2 541.873 7.363 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCc2ccc(OC)cc2)[nH+]1 ZINC000029039267 561989602 /nfs/dbraw/zinc/98/96/02/561989602.db2.gz OEZMMAMZWASMQP-UHFFFAOYSA-N 2 2 563.835 6.620 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCCc2ccc(OC)cc2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029039267 561989604 /nfs/dbraw/zinc/98/96/04/561989604.db2.gz OEZMMAMZWASMQP-UHFFFAOYSA-N 2 2 563.835 6.620 1 0 KKAFLP CCCC[NH+](CCCC)CCCNc1nc(NCCc2ccc(OC)cc2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039267 561989606 /nfs/dbraw/zinc/98/96/06/561989606.db2.gz OEZMMAMZWASMQP-UHFFFAOYSA-N 2 2 563.835 6.620 1 0 KKAFLP CC(C)C[C@H]([NH2+]CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039312 561989758 /nfs/dbraw/zinc/98/97/58/561989758.db2.gz OJRQHARTKOHUCE-PKTNWEFCSA-N 2 2 643.216 5.074 1 0 KKAFLP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1OCc1c(OC)c2ccccc2c(OC)c1C(F)(F)F ZINC000029134715 562004237 /nfs/dbraw/zinc/00/42/37/562004237.db2.gz CUNDWXXDJUICTG-UHFFFAOYSA-N 2 2 624.103 9.242 1 0 KKAFLP FC(F)(F)c1cc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000029348266 562016663 /nfs/dbraw/zinc/01/66/63/562016663.db2.gz KCHZSHRRZWMRFQ-RRPNLBNLSA-N 2 2 557.582 7.638 1 0 KKAFLP FC(F)(F)c1cc(C[N@H+]2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000029348266 562016664 /nfs/dbraw/zinc/01/66/64/562016664.db2.gz KCHZSHRRZWMRFQ-RRPNLBNLSA-N 2 2 557.582 7.638 1 0 KKAFLP Clc1ccc2c(NCC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)CCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000029401889 562019905 /nfs/dbraw/zinc/01/99/05/562019905.db2.gz UEZCYTHWXXNEJW-UHFFFAOYSA-N 4 2 631.011 8.230 1 0 KKAFLP C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403260 562020179 /nfs/dbraw/zinc/02/01/79/562020179.db2.gz XPWFTGGQSOHDQV-OAQYLSRUSA-N 2 2 623.585 6.158 1 0 KKAFLP CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000029412468 562022030 /nfs/dbraw/zinc/02/20/30/562022030.db2.gz KQCIBGUILOITBS-YTTGMZPUSA-N 2 2 546.759 7.233 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000034038687 562038080 /nfs/dbraw/zinc/03/80/80/562038080.db2.gz RCZXTMTXMHGQDY-GJZGRUSLSA-N 2 2 501.077 5.399 1 0 KKAFLP O=C(C[NH2+]C1(c2ccc(-c3ccccc3)cc2)CC[NH+](C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000034379896 562038801 /nfs/dbraw/zinc/03/88/01/562038801.db2.gz VIWFGXCQKASMCL-UHFFFAOYSA-N 2 2 506.065 6.608 1 0 KKAFLP C[NH+]1CCC(CC2CCCCC2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157817 562069429 /nfs/dbraw/zinc/06/94/29/562069429.db2.gz NMKAUOMKZJYMKD-CZNDPXEESA-N 3 2 620.282 5.181 1 0 KKAFLP FC(F)(F)c1ccc2c(N[C@@H](c3ccc(C[NH+]4CCOCC4)cc3)c3cccc(Cl)c3)cc[nH+]c2c1 ZINC000040425088 562076603 /nfs/dbraw/zinc/07/66/03/562076603.db2.gz JZJOVKWLPXFEDD-MHZLTWQESA-N 2 2 511.975 6.941 1 0 KKAFLP COC(=O)[C@](CCC[N@H+](C)CCCc1[nH]c2ccc(OC)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082677 /nfs/dbraw/zinc/08/26/77/562082677.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 2 2 530.507 5.746 1 0 KKAFLP COC(=O)[C@](CCC[N@@H+](C)CCCc1[nH]c2ccc(OC)cc2[nH+]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082679 /nfs/dbraw/zinc/08/26/79/562082679.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 2 2 530.507 5.746 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@@H+](C)[C@H]5C2)CC[NH+]1C ZINC000042803773 562088497 /nfs/dbraw/zinc/08/84/97/562088497.db2.gz SVMNNRZZJAFEJM-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@H+](C)[C@H]5C2)CC[NH+]1C ZINC000042803773 562088498 /nfs/dbraw/zinc/08/84/98/562088498.db2.gz SVMNNRZZJAFEJM-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@H]5C2)CC[N@H+]1C ZINC000042803773 562088500 /nfs/dbraw/zinc/08/85/00/562088500.db2.gz SVMNNRZZJAFEJM-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@H]5C2)CC[N@@H+]1C ZINC000042803773 562088503 /nfs/dbraw/zinc/08/85/03/562088503.db2.gz SVMNNRZZJAFEJM-NSOVKSMOSA-N 2 2 576.693 7.251 1 0 KKAFLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043069675 562645518 /nfs/dbraw/zinc/64/55/18/562645518.db2.gz PCLLBFUYVTXKME-VWLOTQADSA-N 2 2 522.575 5.272 1 0 KKAFLP O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1c[nH+]c[nH]1)c1ccccc1 ZINC000043079432 562645772 /nfs/dbraw/zinc/64/57/72/562645772.db2.gz ZMTJXLBSJWMAHF-MUUNZHRXSA-N 2 2 521.587 5.727 1 0 KKAFLP O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1c[nH]c[nH+]1)c1ccccc1 ZINC000043079432 562645773 /nfs/dbraw/zinc/64/57/73/562645773.db2.gz ZMTJXLBSJWMAHF-MUUNZHRXSA-N 2 2 521.587 5.727 1 0 KKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3cccc(Cl)c3)CC2)c1 ZINC000043103918 562646010 /nfs/dbraw/zinc/64/60/10/562646010.db2.gz AKSZOVIZULWYMI-UHFFFAOYSA-N 2 2 502.062 6.319 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000044053325 562651959 /nfs/dbraw/zinc/65/19/59/562651959.db2.gz ZNMWOXHKUMOSNW-HKBQPEDESA-N 2 2 621.226 5.176 1 0 KKAFLP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000044053325 562651960 /nfs/dbraw/zinc/65/19/60/562651960.db2.gz ZNMWOXHKUMOSNW-HKBQPEDESA-N 2 2 621.226 5.176 1 0 KKAFLP O[C@@]12C=C(C3=[NH+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CC/C=C\CCCC2 ZINC000044305013 562653295 /nfs/dbraw/zinc/65/32/95/562653295.db2.gz LRUDBTRYFRCTLQ-BDYONYFUSA-N 3 2 552.807 6.491 1 0 KKAFLP O[C@@]12C=C(C3=[NH+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CC/C=C\CCCC2 ZINC000044305013 562653296 /nfs/dbraw/zinc/65/32/96/562653296.db2.gz LRUDBTRYFRCTLQ-BDYONYFUSA-N 3 2 552.807 6.491 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@@H+](C)[C@@H]5C2)CC[NH+]1C ZINC000044350619 562654321 /nfs/dbraw/zinc/65/43/21/562654321.db2.gz SVMNNRZZJAFEJM-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@H+](C)[C@@H]5C2)CC[NH+]1C ZINC000044350619 562654322 /nfs/dbraw/zinc/65/43/22/562654322.db2.gz SVMNNRZZJAFEJM-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@@H]5C2)CC[N@H+]1C ZINC000044350619 562654323 /nfs/dbraw/zinc/65/43/23/562654323.db2.gz SVMNNRZZJAFEJM-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@@H]5C2)CC[N@@H+]1C ZINC000044350619 562654324 /nfs/dbraw/zinc/65/43/24/562654324.db2.gz SVMNNRZZJAFEJM-IZLXSDGUSA-N 2 2 576.693 7.251 1 0 KKAFLP COCC[NH2+]Cc1cccc(-c2cc3[nH+]ccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000045192269 562658623 /nfs/dbraw/zinc/65/86/23/562658623.db2.gz MVQOGXUSDARQSD-UHFFFAOYSA-N 2 2 510.037 7.827 1 0 KKAFLP CCc1ccc(NC(=O)N(CCCN2CC[NH+](C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049710783 562671810 /nfs/dbraw/zinc/67/18/10/562671810.db2.gz DUFNVIGBVAVQHN-UHFFFAOYSA-N 2 2 596.845 6.334 1 0 KKAFLP CCc1ccc(NC(=O)N(CCC[NH+]2CCN(C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049710783 562671811 /nfs/dbraw/zinc/67/18/11/562671811.db2.gz DUFNVIGBVAVQHN-UHFFFAOYSA-N 2 2 596.845 6.334 1 0 KKAFLP COc1cc2c(cc1OCC1CC[NH2+]CC1)[nH+]ccc2Oc1ccc(NC(=O)N2CCN(c3ccccc3)C2=O)cc1F ZINC000049722841 562672607 /nfs/dbraw/zinc/67/26/07/562672607.db2.gz BBKJRGBHVYSTNV-UHFFFAOYSA-N 2 2 585.636 6.027 1 0 KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]([NH2+]CCc4c[nH]c[nH+]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049745346 562673808 /nfs/dbraw/zinc/67/38/08/562673808.db2.gz YPCZREBHZQAZRQ-PDCROECWSA-N 2 2 511.795 6.038 1 0 KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]([NH2+]CCc4c[nH+]c[nH]4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049745346 562673809 /nfs/dbraw/zinc/67/38/09/562673809.db2.gz YPCZREBHZQAZRQ-PDCROECWSA-N 2 2 511.795 6.038 1 0 KKAFLP Cc1cc2[nH+]c(N3CC[NH+](Cc4ccccc4)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049745789 562674067 /nfs/dbraw/zinc/67/40/67/562674067.db2.gz YVNVJCKNDRTUNW-UHFFFAOYSA-N 2 2 566.790 7.159 1 0 KKAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000049823289 562687174 /nfs/dbraw/zinc/68/71/74/562687174.db2.gz LEISAHGPHFOWKZ-LJAQVGFWSA-N 2 2 665.279 5.029 1 0 KKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)c2c1 ZINC000049917593 562693609 /nfs/dbraw/zinc/69/36/09/562693609.db2.gz ICIDSHHZAPVAKX-JUKUECOXSA-N 2 2 637.756 5.306 1 0 KKAFLP O=c1cc(NCC[C@@H](C[NH2+]CCc2ccccc2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917822 562693945 /nfs/dbraw/zinc/69/39/45/562693945.db2.gz DLYOUUBWJDFSFV-DEOSSOPVSA-N 2 2 598.383 5.846 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCC[C@@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917842 562693986 /nfs/dbraw/zinc/69/39/86/562693986.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 2 2 572.540 8.171 1 0 KKAFLP COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3cc[nH+]c(NCC[C@@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917842 562693987 /nfs/dbraw/zinc/69/39/87/562693987.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 2 2 572.540 8.171 1 0 KKAFLP C[NH2+]CCN(C)C(=O)Oc1c(Br)c(C)[nH+]c(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049918102 562694447 /nfs/dbraw/zinc/69/44/47/562694447.db2.gz QMMXRSVYHRVIBW-UHFFFAOYSA-N 2 2 568.390 6.469 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3cccc(Nc4cc[nH+]c5cc(Cl)ccc45)c3)n2)CC1 ZINC000066074578 562709828 /nfs/dbraw/zinc/70/98/28/562709828.db2.gz OFSXNEHJQAMRFN-UHFFFAOYSA-N 2 2 552.086 6.446 1 0 KKAFLP CC[NH+](CC)CCNc1nc(Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)nc(Nc2ccccc2C)n1 ZINC000066076374 562710134 /nfs/dbraw/zinc/71/01/34/562710134.db2.gz BSECIBIMQZVVJQ-UHFFFAOYSA-N 2 2 568.129 7.366 1 0 KKAFLP Clc1ccc2c(Nc3ccc(Nc4nc(NCCC[NH+]5CCOCC5)nc(Nc5ccccc5)n4)cc3)cc[nH+]c2c1 ZINC000066077883 562710343 /nfs/dbraw/zinc/71/03/43/562710343.db2.gz MUXPYTNVGPMSMI-UHFFFAOYSA-N 2 2 582.112 6.438 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000071280686 562716515 /nfs/dbraw/zinc/71/65/15/562716515.db2.gz YBODQSWROIJMDW-BETPUDKTSA-N 2 2 575.757 5.876 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000071280686 562716516 /nfs/dbraw/zinc/71/65/16/562716516.db2.gz YBODQSWROIJMDW-BETPUDKTSA-N 2 2 575.757 5.876 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000071295870 562717331 /nfs/dbraw/zinc/71/73/31/562717331.db2.gz FRIFKHCBKHZZLE-BCFRNYDHSA-N 2 2 639.866 6.027 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000071295870 562717332 /nfs/dbraw/zinc/71/73/32/562717332.db2.gz FRIFKHCBKHZZLE-BCFRNYDHSA-N 2 2 639.866 6.027 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726113 /nfs/dbraw/zinc/72/61/13/562726113.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 2 2 678.274 6.941 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726114 /nfs/dbraw/zinc/72/61/14/562726114.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 2 2 678.274 6.941 1 0 KKAFLP C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072183322 562732874 /nfs/dbraw/zinc/73/28/74/562732874.db2.gz GFGWSTWJMPPEJB-PGRDOPGGSA-N 2 2 557.497 6.617 1 0 KKAFLP C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072183323 562732899 /nfs/dbraw/zinc/73/28/99/562732899.db2.gz GFGWSTWJMPPEJB-XMSQKQJNSA-N 2 2 557.497 6.617 1 0 KKAFLP Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]C4CC4)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082153259 562740172 /nfs/dbraw/zinc/74/01/72/562740172.db2.gz MGRBZGRVJSJPOJ-SSEXGKCCSA-N 2 2 687.068 5.599 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(C[NH2+]CCF)ccc1Cl)C1CC1 ZINC000082154599 562740393 /nfs/dbraw/zinc/74/03/93/562740393.db2.gz PNUVWYMCELWWFF-GDLZYMKVSA-N 2 2 647.113 5.324 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[NH+](C)CC4)cc1OC ZINC000082185547 562742298 /nfs/dbraw/zinc/74/22/98/562742298.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[NH+](C)CC4)cc1OC ZINC000082185547 562742299 /nfs/dbraw/zinc/74/22/99/562742299.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[N@H+](C)CC4)cc1OC ZINC000082185547 562742300 /nfs/dbraw/zinc/74/23/00/562742300.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 2 2 726.867 7.072 1 0 KKAFLP COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)[N@@H+](C)CC4)cc1OC ZINC000082185547 562742301 /nfs/dbraw/zinc/74/23/01/562742301.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 2 2 726.867 7.072 1 0 KKAFLP C[C@H](Oc1cc(-c2cc(-c3ccc(C[NH+](C)C)cc3)c[nH+]c2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654619 562747293 /nfs/dbraw/zinc/74/72/93/562747293.db2.gz KPYFHKXGOZSVEX-SFHVURJKSA-N 2 2 534.582 6.317 1 0 KKAFLP O=C(CC[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCC2)N1CC[NH+](CCNc2c3ccccc3[nH+]c3c2CCCC3)CC1 ZINC000084669604 562748053 /nfs/dbraw/zinc/74/80/53/562748053.db2.gz YVSGFEGOSAGMBU-UHFFFAOYSA-N 4 2 605.831 5.189 1 0 KKAFLP CN1CC[NH+](CCc2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(CC[NH+]7CCN(C)CC7)cc6)o5)cc4)o3)cc2)CC1 ZINC000084687249 562748846 /nfs/dbraw/zinc/74/88/46/562748846.db2.gz DYGPHMHUCWNVMG-UHFFFAOYSA-N 2 2 616.810 5.910 1 0 KKAFLP CN1CC[NH+](CCc2ccc(-c3ncc(-c4ccc(-c5cnc(-c6ccc(CCN7CC[NH+](C)CC7)cc6)o5)cc4)o3)cc2)CC1 ZINC000084687249 562748847 /nfs/dbraw/zinc/74/88/47/562748847.db2.gz DYGPHMHUCWNVMG-UHFFFAOYSA-N 2 2 616.810 5.910 1 0 KKAFLP c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(C[NH+]4CCOCC4)cc3)o2)c1 ZINC000084688375 562749174 /nfs/dbraw/zinc/74/91/74/562749174.db2.gz DQEFPCQHRNYWNU-UHFFFAOYSA-N 2 2 562.670 5.995 1 0 KKAFLP O=C(CCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CC[NH2+]CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000095609751 562783962 /nfs/dbraw/zinc/78/39/62/562783962.db2.gz KRNIKBQEGQHLMZ-UHFFFAOYSA-N 4 2 839.272 7.555 1 0 KKAFLP O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1 ZINC000095610105 562784178 /nfs/dbraw/zinc/78/41/78/562784178.db2.gz KAIRDRAOLOPZSO-ZESVVUHVSA-N 2 2 827.764 7.370 1 0 KKAFLP O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC000095610105 562784179 /nfs/dbraw/zinc/78/41/79/562784179.db2.gz KAIRDRAOLOPZSO-ZESVVUHVSA-N 2 2 827.764 7.370 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000095696500 562788477 /nfs/dbraw/zinc/78/84/77/562788477.db2.gz RXBRSSYZLRSPDU-UHFFFAOYSA-N 2 2 604.551 6.875 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(SC(F)(F)F)ccc12 ZINC000095696496 562788496 /nfs/dbraw/zinc/78/84/96/562788496.db2.gz LPHRGJNQGFMZDE-UHFFFAOYSA-N 2 2 652.686 8.181 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000095696509 562788551 /nfs/dbraw/zinc/78/85/51/562788551.db2.gz WUZZMDNESQIDNQ-UHFFFAOYSA-N 2 2 536.554 5.856 1 0 KKAFLP COc1cc2c(cc1O)CC[N@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)[NH+](C)CC4)cc1 ZINC000096900642 562796945 /nfs/dbraw/zinc/79/69/45/562796945.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)[NH+](C)CC4)cc1 ZINC000096900642 562796946 /nfs/dbraw/zinc/79/69/46/562796946.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)[N@H+](C)CC4)cc1 ZINC000096900642 562796947 /nfs/dbraw/zinc/79/69/47/562796947.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP COc1cc2c(cc1O)CC[NH+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)[N@@H+](C)CC4)cc1 ZINC000096900642 562796948 /nfs/dbraw/zinc/79/69/48/562796948.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 2 2 668.787 6.457 1 0 KKAFLP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H]([NH2+]CCCn5cc[nH+]c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096916604 562801282 /nfs/dbraw/zinc/80/12/82/562801282.db2.gz YQGTUXQZXKSQEQ-FMXUJUTNSA-N 2 2 509.823 7.532 1 0 KKAFLP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000098207928 562805953 /nfs/dbraw/zinc/80/59/53/562805953.db2.gz WDALFJYWTFDSRP-DIPNUNPCSA-N 2 2 638.816 7.102 1 0 in-vitro KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 ZINC000101193224 562809786 /nfs/dbraw/zinc/80/97/86/562809786.db2.gz DTXCHAZBXSLREA-KUMHGWDASA-N 2 2 506.698 5.931 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 ZINC000101193224 562809787 /nfs/dbraw/zinc/80/97/87/562809787.db2.gz DTXCHAZBXSLREA-KUMHGWDASA-N 2 2 506.698 5.931 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 ZINC000101193537 562809830 /nfs/dbraw/zinc/80/98/30/562809830.db2.gz ODTAMWROBLPBMJ-YHTXFFTCSA-N 2 2 555.811 7.175 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 ZINC000101193537 562809831 /nfs/dbraw/zinc/80/98/31/562809831.db2.gz ODTAMWROBLPBMJ-YHTXFFTCSA-N 2 2 555.811 7.175 1 0 KKAFLP COC(=O)[C@@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809859 /nfs/dbraw/zinc/80/98/59/562809859.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 3 2 604.839 7.468 1 0 KKAFLP COC(=O)[C@@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809860 /nfs/dbraw/zinc/80/98/60/562809860.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 3 2 604.839 7.468 1 0 KKAFLP CN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)c(F)c4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367499 562810405 /nfs/dbraw/zinc/81/04/05/562810405.db2.gz SKBWQUPLWQUWPH-KDURUIRLSA-N 2 2 576.080 5.484 1 0 KKAFLP CN1CC[NH+]([C@H]2CC[C@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367501 562810448 /nfs/dbraw/zinc/81/04/48/562810448.db2.gz DLQXAWIVHRHOQT-OYRHEFFESA-N 2 2 558.090 5.345 1 0 KKAFLP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624948 562811426 /nfs/dbraw/zinc/81/14/26/562811426.db2.gz KVGVPXHSSHDBTN-MNHGUUTPSA-N 2 2 597.754 6.441 1 0 KKAFLP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624948 562811427 /nfs/dbraw/zinc/81/14/27/562811427.db2.gz KVGVPXHSSHDBTN-MNHGUUTPSA-N 2 2 597.754 6.441 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227189 562817871 /nfs/dbraw/zinc/81/78/71/562817871.db2.gz SCDVTYVEEOZJQT-ZZXHUEHTSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227189 562817872 /nfs/dbraw/zinc/81/78/72/562817872.db2.gz SCDVTYVEEOZJQT-ZZXHUEHTSA-N 2 2 528.722 5.665 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000103234001 562818515 /nfs/dbraw/zinc/81/85/15/562818515.db2.gz MRVLFWHAHZIKHJ-GRJQRVBMSA-N 2 2 562.758 7.273 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000103234001 562818516 /nfs/dbraw/zinc/81/85/16/562818516.db2.gz MRVLFWHAHZIKHJ-GRJQRVBMSA-N 2 2 562.758 7.273 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233997 562818529 /nfs/dbraw/zinc/81/85/29/562818529.db2.gz CWWCVNHXIZBXTP-OUOZDZGXSA-N 2 2 528.741 6.872 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233997 562818530 /nfs/dbraw/zinc/81/85/30/562818530.db2.gz CWWCVNHXIZBXTP-OUOZDZGXSA-N 2 2 528.741 6.872 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 ZINC000103234824 562818632 /nfs/dbraw/zinc/81/86/32/562818632.db2.gz GQPFEFJTOGPMSY-RLPLKTQASA-N 2 2 524.753 6.653 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 ZINC000103234824 562818633 /nfs/dbraw/zinc/81/86/33/562818633.db2.gz GQPFEFJTOGPMSY-RLPLKTQASA-N 2 2 524.753 6.653 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@H+](CC2CCCCC2)C1 ZINC000103261486 562821389 /nfs/dbraw/zinc/82/13/89/562821389.db2.gz BXWNFSDIKPXQSG-NDEPHWFRSA-N 2 2 530.635 5.243 1 0 KKAFLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000103261486 562821390 /nfs/dbraw/zinc/82/13/90/562821390.db2.gz BXWNFSDIKPXQSG-NDEPHWFRSA-N 2 2 530.635 5.243 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000105427752 562825245 /nfs/dbraw/zinc/82/52/45/562825245.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[NH+](C)CC3 ZINC000105427752 562825246 /nfs/dbraw/zinc/82/52/46/562825246.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@H+](C)CC3 ZINC000105427752 562825247 /nfs/dbraw/zinc/82/52/47/562825247.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 KKAFLP COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[NH+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N@@H+](C)CC3 ZINC000105427752 562825248 /nfs/dbraw/zinc/82/52/48/562825248.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 2 2 576.693 6.831 1 0 KKAFLP C[NH+](C)C[C@@H](O)c1ccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114036155 562827063 /nfs/dbraw/zinc/82/70/63/562827063.db2.gz PFLMYODGKHIOEW-AREMUKBSSA-N 2 2 520.004 6.331 1 0 KKAFLP C[NH+](C)C[C@H](O)c1ccc(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114036157 562827068 /nfs/dbraw/zinc/82/70/68/562827068.db2.gz PFLMYODGKHIOEW-SANMLTNESA-N 2 2 520.004 6.331 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(N5CCC[C@H]([NH3+])C5)nc4)c3c2)cc(Cl)c1O ZINC000114037192 562827182 /nfs/dbraw/zinc/82/71/82/562827182.db2.gz GRTLNJODWXNLKX-FQEVSTJZSA-N 2 2 544.055 5.928 1 0 KKAFLP C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(C)=O)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038430 562827303 /nfs/dbraw/zinc/82/73/03/562827303.db2.gz HVDIRHNKXLIIAK-LJQANCHMSA-N 2 2 505.981 5.539 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000114039003 562827376 /nfs/dbraw/zinc/82/73/76/562827376.db2.gz JWDGFPHUPWVIRO-UHFFFAOYSA-N 2 2 539.051 5.347 1 0 KKAFLP Cc1ccc(C(=O)Nc2cc[nH+]c(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC(C[NH+]4CCCC4)CC3)nc21 ZINC000148375409 562841186 /nfs/dbraw/zinc/84/11/86/562841186.db2.gz ZTWGVJUWYRGKSS-UHFFFAOYSA-N 2 2 579.753 5.729 1 0 KKAFLP Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5cc(C6CC[NH+](C(C)C)CC6)c(C(F)(F)F)cc5[nH]4)c3N)ccc2[nH+]1 ZINC000149900266 562842819 /nfs/dbraw/zinc/84/28/19/562842819.db2.gz JHNXJFLNZAUFGJ-UHFFFAOYSA-N 2 2 549.601 5.958 1 0 KKAFLP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@@H+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596020 562846617 /nfs/dbraw/zinc/84/66/17/562846617.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 2 2 642.844 7.043 1 0 KKAFLP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[N@H+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596020 562846618 /nfs/dbraw/zinc/84/66/18/562846618.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 2 2 642.844 7.043 1 0 KKAFLP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CC[NH+]8CCc9c%10ccccc%10n6c9[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596020 562846619 /nfs/dbraw/zinc/84/66/19/562846619.db2.gz ZQWXPMGCNIJOIB-NKFPNAPDSA-N 2 2 642.844 7.043 1 0 KKAFLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)[nH]c4c3)o2)c1)c1ccccc1 ZINC000150599287 562847005 /nfs/dbraw/zinc/84/70/05/562847005.db2.gz DKGJHFWBWJHOPS-HTNZGVODSA-N 2 2 764.931 7.084 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCCc4ccccc43)n2)CC1 ZINC000169323818 562857161 /nfs/dbraw/zinc/85/71/61/562857161.db2.gz KFZGMPRLIYMHNN-UHFFFAOYSA-N 2 2 592.151 6.787 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCc4ccccc4C3)n2)CC1 ZINC000169323828 562857169 /nfs/dbraw/zinc/85/71/69/562857169.db2.gz QYFFGSUYCSFEIR-UHFFFAOYSA-N 2 2 592.151 6.265 1 0 KKAFLP CC[NH+]1CCN(c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000169323780 562857175 /nfs/dbraw/zinc/85/71/75/562857175.db2.gz WLXCWEKFTTUUIF-UHFFFAOYSA-N 2 2 586.531 7.099 1 0 KKAFLP O=C(OC[C@H](CC1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000169353290 562863478 /nfs/dbraw/zinc/86/34/78/562863478.db2.gz ZFHBIFNRZSIJML-UMSFTDKQSA-N 2 2 652.843 7.492 1 0 KKAFLP [NH2+]=c1n(CCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1 ZINC000169718105 562871304 /nfs/dbraw/zinc/87/13/04/562871304.db2.gz BALYUQRTTORDCN-UHFFFAOYSA-N 2 2 556.758 7.295 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000195395880 562871732 /nfs/dbraw/zinc/87/17/32/562871732.db2.gz RZZCRJFYHDAULL-HFVNIMEJSA-N 2 2 548.722 6.970 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000195395880 562871733 /nfs/dbraw/zinc/87/17/33/562871733.db2.gz RZZCRJFYHDAULL-HFVNIMEJSA-N 2 2 548.722 6.970 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000201531402 562873527 /nfs/dbraw/zinc/87/35/27/562873527.db2.gz SZUYKWJBTMCMES-SFHVURJKSA-N 2 2 520.008 6.059 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4ccc(N5CC[NH+](C)CC5)nc4)c3c2)cc(Cl)c1O ZINC000203802432 562874145 /nfs/dbraw/zinc/87/41/45/562874145.db2.gz XGNPNRIARDNUMX-UHFFFAOYSA-N 2 2 518.017 5.362 1 0 KKAFLP CC(=O)c1c(C)[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000203796028 562874159 /nfs/dbraw/zinc/87/41/59/562874159.db2.gz HMZWIRDNONHJDT-UHFFFAOYSA-N 2 2 536.463 6.316 1 0 KKAFLP C[NH+]1CCC(n2cc(Nc3c(C(=O)C(C)(C)C)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000203989094 562874295 /nfs/dbraw/zinc/87/42/95/562874295.db2.gz ZHKQBMMFKGCFLE-UHFFFAOYSA-N 2 2 536.051 6.836 1 0 KKAFLP Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH+]c(C)n4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428299 562874520 /nfs/dbraw/zinc/87/45/20/562874520.db2.gz DSQJCJALPOUQLS-QHCPKHFHSA-N 2 2 514.678 5.308 1 0 KKAFLP Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH+]c(C)n4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428299 562874521 /nfs/dbraw/zinc/87/45/21/562874521.db2.gz DSQJCJALPOUQLS-QHCPKHFHSA-N 2 2 514.678 5.308 1 0 KKAFLP C[NH+]1CCN(c2ccc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000219345397 562878054 /nfs/dbraw/zinc/87/80/54/562878054.db2.gz DOCSOGHWTFJMLQ-UHFFFAOYSA-N 2 2 532.019 5.883 1 0 KKAFLP O=C(c1c[nH+]c2ccc(-c3cc(F)c(O)c(F)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)nc1)C1CC1 ZINC000219363925 562878117 /nfs/dbraw/zinc/87/81/17/562878117.db2.gz QRKKZHNOBHOINS-UHFFFAOYSA-N 2 2 500.549 6.213 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc2c1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000219358412 562878131 /nfs/dbraw/zinc/87/81/31/562878131.db2.gz IZTXAFLGSALYPD-UHFFFAOYSA-N 2 2 527.668 7.859 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000219359607 562878139 /nfs/dbraw/zinc/87/81/39/562878139.db2.gz KBMPAIAXPCAIHA-FQEVSTJZSA-N 2 2 534.035 6.272 1 0 KKAFLP CNc1nc(-c2ccc(CCN3CC[NH+](CCCN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299826232 562883791 /nfs/dbraw/zinc/88/37/91/562883791.db2.gz GFJFSOFZAWPPSA-UHFFFAOYSA-N 2 2 594.873 5.809 1 0 KKAFLP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CC)c5ccccc54)cc3N)cc2)cc1 ZINC000377819944 562896127 /nfs/dbraw/zinc/89/61/27/562896127.db2.gz RMJDEUJQBHPZRC-UHFFFAOYSA-O 2 2 503.630 5.779 1 0 KKAFLP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CC)c5ccccc54)cc3N)cc2)cc1 ZINC000377819944 562896126 /nfs/dbraw/zinc/89/61/26/562896126.db2.gz RMJDEUJQBHPZRC-UHFFFAOYSA-O 2 2 503.630 5.779 1 0 KKAFLP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848904 562896448 /nfs/dbraw/zinc/89/64/48/562896448.db2.gz APMHJYKAHFWXBV-UHFFFAOYSA-N 2 2 530.676 6.562 1 0 KKAFLP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccccc54)cc3)cc2N)cc1 ZINC000377848904 562896449 /nfs/dbraw/zinc/89/64/49/562896449.db2.gz APMHJYKAHFWXBV-UHFFFAOYSA-N 2 2 530.676 6.562 1 0 KKAFLP C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH+]ccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473087946 562897237 /nfs/dbraw/zinc/89/72/37/562897237.db2.gz GUJKXMUSIYADBM-UHFFFAOYSA-N 2 2 617.146 6.375 1 0 KKAFLP CN(C)[C@@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159159 562902611 /nfs/dbraw/zinc/90/26/11/562902611.db2.gz LGJHZIDUGLYJQL-CTUHWIOQSA-N 2 2 565.133 6.021 1 0 KKAFLP CN(C)[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)C1 ZINC000473159159 562902612 /nfs/dbraw/zinc/90/26/12/562902612.db2.gz LGJHZIDUGLYJQL-CTUHWIOQSA-N 2 2 565.133 6.021 1 0 KKAFLP CN1CC[NH+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)CC2)CC1 ZINC000473159271 562902711 /nfs/dbraw/zinc/90/27/11/562902711.db2.gz YUPOZYPDHYXQBQ-UILWBTOOSA-N 2 2 551.106 5.633 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000473179773 562903487 /nfs/dbraw/zinc/90/34/87/562903487.db2.gz WBGAGQYLUBFTDF-STZQEDGTSA-N 2 2 542.507 5.966 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000473179773 562903488 /nfs/dbraw/zinc/90/34/88/562903488.db2.gz WBGAGQYLUBFTDF-STZQEDGTSA-N 2 2 542.507 5.966 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(N[C@H]4CC[C@H](C[NH+]5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473179746 562903500 /nfs/dbraw/zinc/90/35/00/562903500.db2.gz SVZPYMPDASDKIE-JKIUYZKVSA-N 2 2 537.104 5.112 1 0 KKAFLP CC[NH+](CC)CCO[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473183237 562903584 /nfs/dbraw/zinc/90/35/84/562903584.db2.gz RGJUUNZYAYLVAA-HZCBDIJESA-N 2 2 544.523 6.620 1 0 KKAFLP CC[N@H+](C)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473183400 562903599 /nfs/dbraw/zinc/90/35/99/562903599.db2.gz ZUASHZYIOMWUQG-IRJFHVNHSA-N 2 2 500.470 6.461 1 0 KKAFLP CC[N@@H+](C)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473183400 562903600 /nfs/dbraw/zinc/90/36/00/562903600.db2.gz ZUASHZYIOMWUQG-IRJFHVNHSA-N 2 2 500.470 6.461 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473197772 562903700 /nfs/dbraw/zinc/90/37/00/562903700.db2.gz FEGZQXXZJULZGR-LBZQVFOQSA-N 2 2 540.535 7.241 1 0 KKAFLP Fc1cccc(COc2ccc([NH+]=C3NC=[NH+][C@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@H]34)cc2Cl)c1 ZINC000474609924 562905779 /nfs/dbraw/zinc/90/57/79/562905779.db2.gz XISMJZPTIYZMMN-LSYYVWMOSA-N 2 2 549.071 6.272 1 0 KKAFLP O=C(Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1)C(F)(F)F ZINC000653725385 562909078 /nfs/dbraw/zinc/90/90/78/562909078.db2.gz OPTUCAZEDIFLPC-UHFFFAOYSA-N 2 2 610.562 6.545 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3c(O)c(OC)cc4c3[C@H](C2)[N@H+](C)CC4)CC[NH+]1C ZINC000070451160 565119127 /nfs/dbraw/zinc/11/91/27/565119127.db2.gz YVXUDJFUKQSSHZ-SXOMAYOGSA-N 2 2 624.734 6.565 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3c(O)c(OC)cc4c3[C@H](C2)[N@@H+](C)CC4)CC[NH+]1C ZINC000070451160 565119135 /nfs/dbraw/zinc/11/91/35/565119135.db2.gz YVXUDJFUKQSSHZ-SXOMAYOGSA-N 2 2 624.734 6.565 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3c(O)c(OC)cc4c3[C@H](C2)[NH+](C)CC4)CC[N@H+]1C ZINC000070451160 565119138 /nfs/dbraw/zinc/11/91/38/565119138.db2.gz YVXUDJFUKQSSHZ-SXOMAYOGSA-N 2 2 624.734 6.565 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000085508975 565133026 /nfs/dbraw/zinc/13/30/26/565133026.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 2 2 620.746 7.046 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000085508975 565133030 /nfs/dbraw/zinc/13/30/30/565133030.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 2 2 620.746 7.046 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@H+](C)CC2)CC[NH+]1C ZINC000085508975 565133032 /nfs/dbraw/zinc/13/30/32/565133032.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 2 2 620.746 7.046 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000085508975 565133035 /nfs/dbraw/zinc/13/30/35/565133035.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 2 2 620.746 7.046 1 0 biogenic,in-vitro KKAFLP CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4[C@H](CN4C(=O)C=CC4=O)c4cc[nH+]c(N)c4)C(=O)O/C5=C\C[C@H](C)C[NH2+]C)[C@@H]32)CCCC1 ZINC000085571169 517542503 /nfs/dbraw/zinc/54/25/03/517542503.db2.gz KJGWUALMRAKWGE-VPAIRBMKSA-N 2 2 692.857 5.799 1 0 biogenic,in-vitro KKAFLP CN(C)c1nc(NC2CCC(C[NH2+]Cc3ccc(Br)cc3OC(F)(F)F)CC2)[nH+]c2ccccc21 ZINC000006717725 561703070 /nfs/dbraw/zinc/70/30/70/561703070.db2.gz ODLVSMAEEPBMLK-UHFFFAOYSA-N 2 2 552.439 6.117 1 0 KKAFLP C[NH+](C)c1ccc(NC[C@@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941096 561761075 /nfs/dbraw/zinc/76/10/75/561761075.db2.gz ZQBJCKIJBOEXIA-SSEXGKCCSA-N 2 2 522.684 5.034 1 0 KKAFLP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000026506462 561796659 /nfs/dbraw/zinc/79/66/59/561796659.db2.gz WBOPWSGPXLCXQU-ZHACJKMWSA-N 2 2 507.682 6.729 1 0 KKAFLP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000026576044 561799889 /nfs/dbraw/zinc/79/98/89/561799889.db2.gz LYGAZEZRPGEYCD-UHFFFAOYSA-N 2 2 605.419 5.637 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]Cc2ccc(Cl)cc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672250 561812709 /nfs/dbraw/zinc/81/27/09/561812709.db2.gz MUHNHFMHKZGXIB-UHFFFAOYSA-N 3 2 548.518 6.999 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000026716258 561814166 /nfs/dbraw/zinc/81/41/66/561814166.db2.gz AGPJNLXSJLVUTM-IBGZPJMESA-N 2 2 513.088 5.497 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000026716258 561814169 /nfs/dbraw/zinc/81/41/69/561814169.db2.gz AGPJNLXSJLVUTM-IBGZPJMESA-N 2 2 513.088 5.497 1 0 KKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)c2ccccc2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026721765 561815318 /nfs/dbraw/zinc/81/53/18/561815318.db2.gz WKFUGSCWMWHPNQ-UHFFFAOYSA-N 2 2 529.040 6.413 1 0 KKAFLP CC[NH+](CC)CCCCCC[N@H+](CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC ZINC000026992621 561832750 /nfs/dbraw/zinc/83/27/50/561832750.db2.gz AMJJPIQMPUVCBS-UHFFFAOYSA-N 2 2 543.712 5.725 1 0 KKAFLP CC[NH+](CC)CCCCCC[N@@H+](CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC ZINC000026992621 561832752 /nfs/dbraw/zinc/83/27/52/561832752.db2.gz AMJJPIQMPUVCBS-UHFFFAOYSA-N 2 2 543.712 5.725 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026996444 561833225 /nfs/dbraw/zinc/83/32/25/561833225.db2.gz AAUOKFRTADXFAI-NOWQQFBNSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc2ccccc2c1 ZINC000026996444 561833227 /nfs/dbraw/zinc/83/32/27/561833227.db2.gz AAUOKFRTADXFAI-NOWQQFBNSA-N 2 2 707.941 6.224 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1C/C=C(\C)CCC=C(C)C ZINC000026998182 561833733 /nfs/dbraw/zinc/83/37/33/561833733.db2.gz QDLKZCSBLHDQJF-JPWVNMMBSA-N 2 2 703.994 6.716 1 0 KKAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1C/C=C(\C)CCC=C(C)C ZINC000026998182 561833735 /nfs/dbraw/zinc/83/37/35/561833735.db2.gz QDLKZCSBLHDQJF-JPWVNMMBSA-N 2 2 703.994 6.716 1 0 KKAFLP CCCCCCN(c1cccc[nH+]1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027517804 561861572 /nfs/dbraw/zinc/86/15/72/561861572.db2.gz GDPCVMWEZSDSNA-XDFJSJKPSA-N 2 2 530.801 6.755 1 0 KKAFLP COCc1cc(Br)ccc1OCc1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027547939 561867350 /nfs/dbraw/zinc/86/73/50/561867350.db2.gz QWYAOOCDROWOKG-UHFFFAOYSA-N 2 2 517.533 5.958 1 0 KKAFLP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2n2cc[nH+]c2)cc1 ZINC000027858927 561886757 /nfs/dbraw/zinc/88/67/57/561886757.db2.gz ZBOLEBXIZATQTP-KKLWWLSJSA-N 2 2 593.793 8.099 1 0 KKAFLP Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c[nH+]c3c2)c1 ZINC000027982096 561891844 /nfs/dbraw/zinc/89/18/44/561891844.db2.gz ZURGVSINFPSAAI-WPCLDFDBSA-N 2 2 601.839 7.942 1 0 KKAFLP COc1cc2c(cc1OCCCOc1ccc(-c3[nH]c4ccc(N5CC[NH+](C)CC5)cc4[nH+]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028377165 561919452 /nfs/dbraw/zinc/91/94/52/561919452.db2.gz AQHPQTMEIVSAKL-VWLOTQADSA-N 2 2 594.716 5.159 1 0 KKAFLP COc1cc(-c2nn(C3CC[NH+](Cc4ccccc4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028564742 561935733 /nfs/dbraw/zinc/93/57/33/561935733.db2.gz OIYVMRKENXOBJF-UHFFFAOYSA-N 2 2 619.623 6.331 1 0 KKAFLP Cc1ccc(NC(=O)c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571535 561939399 /nfs/dbraw/zinc/93/93/99/561939399.db2.gz KUNOALCWXLLCES-OAQYLSRUSA-N 2 2 590.654 5.640 1 0 KKAFLP Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000028571535 561939401 /nfs/dbraw/zinc/93/94/01/561939401.db2.gz KUNOALCWXLLCES-OAQYLSRUSA-N 2 2 590.654 5.640 1 0 KKAFLP O=C1N(Cc2ccccc2F)C2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C(=O)N1c1ccccc1 ZINC000028704474 561948589 /nfs/dbraw/zinc/94/85/89/561948589.db2.gz GUMYTXPIUDRCCP-UHFFFAOYSA-N 2 2 509.585 5.015 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000028714036 561954459 /nfs/dbraw/zinc/95/44/59/561954459.db2.gz XCTUDDOOQYANKO-UHFFFAOYSA-N 2 2 558.126 5.920 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000028714036 561954460 /nfs/dbraw/zinc/95/44/60/561954460.db2.gz XCTUDDOOQYANKO-UHFFFAOYSA-N 2 2 558.126 5.920 1 0 KKAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C(c1ccccc1)c1ccccc1 ZINC000028714013 561954486 /nfs/dbraw/zinc/95/44/86/561954486.db2.gz MZWJNXFFELSNEL-UHFFFAOYSA-N 2 2 556.154 5.646 1 0 KKAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C(c1ccccc1)c1ccccc1 ZINC000028714013 561954487 /nfs/dbraw/zinc/95/44/87/561954487.db2.gz MZWJNXFFELSNEL-UHFFFAOYSA-N 2 2 556.154 5.646 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(N4CCCCC4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823422 561968109 /nfs/dbraw/zinc/96/81/09/561968109.db2.gz QSFWMLRRGQPBOI-UHFFFAOYSA-N 2 2 600.896 8.181 1 0 KKAFLP CC(C)CCN(CCC(C)C)C(=O)c1ccc2[nH+]c(Nc3ccc(C(=O)c4ccccc4)cc3)n(CCC[NH+]3CCCCC3)c2c1 ZINC000028823421 561968114 /nfs/dbraw/zinc/96/81/14/561968114.db2.gz LXINWLOPLBFATO-UHFFFAOYSA-N 2 2 621.870 8.421 1 0 KKAFLP Nc1nn(CCc2c[nH]c[nH+]2)c2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126873 561999092 /nfs/dbraw/zinc/99/90/92/561999092.db2.gz YNXIBVROBVAXTR-UHFFFAOYSA-N 2 2 609.738 5.793 1 0 KKAFLP Nc1nn(CCc2c[nH+]c[nH]2)c2nc(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126873 561999094 /nfs/dbraw/zinc/99/90/94/561999094.db2.gz YNXIBVROBVAXTR-UHFFFAOYSA-N 2 2 609.738 5.793 1 0 KKAFLP c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccc(OCC[NH+]5CCOCC5)cc4c3)cc2)cc1 ZINC000029207662 562005450 /nfs/dbraw/zinc/00/54/50/562005450.db2.gz SHAMCHNYKIYNST-AMAPPZPBSA-N 2 2 610.795 6.199 1 0 KKAFLP c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4cc(OCC[NH+]5CCOCC5)ccc4c3)cc2)cc1 ZINC000029207666 562005455 /nfs/dbraw/zinc/00/54/55/562005455.db2.gz NFGSWDKOHGAPRT-AMAPPZPBSA-N 2 2 610.795 6.199 1 0 KKAFLP O=C(CC[NH+]1CCCCC1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029398354 562019073 /nfs/dbraw/zinc/01/90/73/562019073.db2.gz FZWBQCHFFBIVSI-UHFFFAOYSA-N 3 2 591.587 6.121 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](CO)[N@@H+]1CCc1c[nH]c2ccccc12 ZINC000029407833 562021094 /nfs/dbraw/zinc/02/10/94/562021094.db2.gz APLXSTNXAUTIFC-KFIZHRIMSA-N 3 2 584.805 5.035 1 0 KKAFLP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](CO)[N@H+]1CCc1c[nH]c2ccccc12 ZINC000029407833 562021096 /nfs/dbraw/zinc/02/10/96/562021096.db2.gz APLXSTNXAUTIFC-KFIZHRIMSA-N 3 2 584.805 5.035 1 0 KKAFLP COc1ccc(C(=O)Oc2ccc(CC[NH+]3CCC(Nc4[nH+]c5ccccc5n4Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000029562013 562033485 /nfs/dbraw/zinc/03/34/85/562033485.db2.gz LNZSZWDBBNEULS-UHFFFAOYSA-N 2 2 578.688 6.571 1 0 KKAFLP CCn1c2ccccc2[nH+]c1NC1CC[NH+](CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1 ZINC000029567815 562034751 /nfs/dbraw/zinc/03/47/51/562034751.db2.gz QDDDZNHJRQUTLP-UHFFFAOYSA-N 2 2 509.698 5.397 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000033825592 562037741 /nfs/dbraw/zinc/03/77/41/562037741.db2.gz DCBMRRIKIZOMGP-UHFFFAOYSA-N 2 2 520.555 5.976 1 0 KKAFLP CC[C@H](C)[C@H]([NH2+]CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285604 562054381 /nfs/dbraw/zinc/05/43/81/562054381.db2.gz HXYRJQCIJOWCGS-QYBDOPJKSA-N 2 2 559.504 5.929 1 0 KKAFLP O=Cc1cccc(-c2ccc(C3([NH2+]CC(=O)Nc4ccc(F)c(Cl)c4)CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157901 562069727 /nfs/dbraw/zinc/06/97/27/562069727.db2.gz YGOFXMYTDHDBAN-UHFFFAOYSA-N 2 2 534.075 6.421 1 0 KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@@H+](C)[C@@H]5C2)CC[NH+]1C ZINC000085510094 560074073 /nfs/dbraw/zinc/07/40/73/560074073.db2.gz SVMNNRZZJAFEJM-VSGBNLITSA-N 2 2 576.693 7.251 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@H+](C)[C@@H]5C2)CC[NH+]1C ZINC000085510094 560074074 /nfs/dbraw/zinc/07/40/74/560074074.db2.gz SVMNNRZZJAFEJM-VSGBNLITSA-N 2 2 576.693 7.251 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@@H]5C2)CC[N@H+]1C ZINC000085510094 560074076 /nfs/dbraw/zinc/07/40/76/560074076.db2.gz SVMNNRZZJAFEJM-VSGBNLITSA-N 2 2 576.693 7.251 1 0 biogenic,in-vitro KKAFLP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[NH+](C)[C@@H]5C2)CC[N@@H+]1C ZINC000085510094 560074078 /nfs/dbraw/zinc/07/40/78/560074078.db2.gz SVMNNRZZJAFEJM-VSGBNLITSA-N 2 2 576.693 7.251 1 0 biogenic,in-vitro KKAFLP C[NH+]1CCN(c2ccc3nc(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1 ZINC000044351472 562654660 /nfs/dbraw/zinc/65/46/60/562654660.db2.gz FEGHNCJTPWNNJZ-UHFFFAOYSA-N 2 2 622.781 5.670 1 0 KKAFLP C[NH+]1CCN(c2ccc3nc(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1 ZINC000044351472 562654661 /nfs/dbraw/zinc/65/46/61/562654661.db2.gz FEGHNCJTPWNNJZ-UHFFFAOYSA-N 2 2 622.781 5.670 1 0 KKAFLP Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044358560 562655358 /nfs/dbraw/zinc/65/53/58/562655358.db2.gz JBINBDVLCAAQBW-UHFFFAOYSA-N 2 2 580.140 6.411 1 0 KKAFLP Cc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044359753 562655546 /nfs/dbraw/zinc/65/55/46/562655546.db2.gz AGSOIVQEVUSKKM-UHFFFAOYSA-N 2 2 635.220 5.686 1 0 KKAFLP CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5ccc(Oc6cccnc6)cc5)cc[nH+]c4c3)c2)CC1 ZINC000045201192 562658983 /nfs/dbraw/zinc/65/89/83/562658983.db2.gz ZULNNQCAJIIMNP-UHFFFAOYSA-N 2 2 501.634 6.580 1 0 KKAFLP C[NH+]1CCN(Cc2cccc(-c3ccc4c(Nc5ccc(Oc6cccnc6)cc5)cc[nH+]c4c3)c2)CC1 ZINC000045201192 562658984 /nfs/dbraw/zinc/65/89/84/562658984.db2.gz ZULNNQCAJIIMNP-UHFFFAOYSA-N 2 2 501.634 6.580 1 0 KKAFLP CC(C)[NH+]1CCN([C@H](C[NH+]2CCN(CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302504 562660636 /nfs/dbraw/zinc/66/06/36/562660636.db2.gz NJMRBFHKXPEDSH-UUWRZZSWSA-N 2 2 544.759 5.647 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000048307334 562662942 /nfs/dbraw/zinc/66/29/42/562662942.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 2 2 546.202 6.547 1 0 KKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000048307334 562662943 /nfs/dbraw/zinc/66/29/43/562662943.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 2 2 546.202 6.547 1 0 KKAFLP O=C(N[C@H]1C[C@@H]1c1ccccc1)N(CCCn1cc[nH+]c1)Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1 ZINC000049605735 562666287 /nfs/dbraw/zinc/66/62/87/562666287.db2.gz UPECNCZLZOVUOM-ZWXJPIIXSA-N 2 2 576.770 6.454 1 0 KKAFLP COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(=O)C[NH+]2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000049639131 562667654 /nfs/dbraw/zinc/66/76/54/562667654.db2.gz DXFUBCYACWLMEY-UHFFFAOYSA-N 2 2 583.154 5.838 1 0 KKAFLP COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000049639153 562667665 /nfs/dbraw/zinc/66/76/65/562667665.db2.gz VDTRQYWYKXJGHP-UHFFFAOYSA-N 2 2 630.276 6.699 1 0 KKAFLP [NH3+]C1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000049723330 562673243 /nfs/dbraw/zinc/67/32/43/562673243.db2.gz QZPAFQKRZDCGJJ-UHFFFAOYSA-N 2 2 563.628 5.457 1 0 KKAFLP [NH3+]C1CCN(c2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(NCCc3ccc(O)cc3)[nH+]2)CC1 ZINC000049723330 562673244 /nfs/dbraw/zinc/67/32/44/562673244.db2.gz QZPAFQKRZDCGJJ-UHFFFAOYSA-N 2 2 563.628 5.457 1 0 KKAFLP [NH3+]C1CCN(c2nc(NCCc3ccc(O)cc3)nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)[nH+]2)CC1 ZINC000049723330 562673245 /nfs/dbraw/zinc/67/32/45/562673245.db2.gz QZPAFQKRZDCGJJ-UHFFFAOYSA-N 2 2 563.628 5.457 1 0 KKAFLP C[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000049917708 562693808 /nfs/dbraw/zinc/69/38/08/562693808.db2.gz AFWWVFAVOSRPDP-VWLOTQADSA-N 2 2 554.779 6.756 1 0 KKAFLP CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3[nH+]c2Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1 ZINC000049925467 562694716 /nfs/dbraw/zinc/69/47/16/562694716.db2.gz FITNUKNIUJHPPH-UHFFFAOYSA-N 2 2 630.719 7.673 1 0 KKAFLP Cc1nc(Nc2[nH+]ccn2-c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053230350 562696696 /nfs/dbraw/zinc/69/66/96/562696696.db2.gz OSLAOTJVGUZZMM-UHFFFAOYSA-N 2 2 580.615 5.572 1 0 KKAFLP [NH3+]CCCCC[C@H]([NH2+]CCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058583679 562700157 /nfs/dbraw/zinc/70/01/57/562700157.db2.gz HVRPKSNRQFGHJP-HKBQPEDESA-N 2 2 578.713 5.836 1 0 KKAFLP CC1(C)[C@@H]2C[C@H]1[C@H](CNc1nc(Nc3ccc(Oc4ccccc4)cc3)nc(NCCc3c[nH]c[nH+]3)[nH+]1)CC2 ZINC000059696267 562702132 /nfs/dbraw/zinc/70/21/32/562702132.db2.gz JLGVFFPNVVSONX-WOVHNISZSA-N 2 2 524.673 6.269 1 0 KKAFLP S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000064448860 562705579 /nfs/dbraw/zinc/70/55/79/562705579.db2.gz GPPMMXAHQWHZEW-UHFFFAOYSA-N 2 2 513.498 5.858 1 0 KKAFLP Clc1cccc(N2CC[NH+](CCCNc3nc(NCc4ccco4)c4ccccc4[nH+]3)CC2)c1Cl ZINC000066112976 562712162 /nfs/dbraw/zinc/71/21/62/562712162.db2.gz QQQAIZMWNCCTNQ-UHFFFAOYSA-N 2 2 511.457 5.766 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000068249399 562716225 /nfs/dbraw/zinc/71/62/25/562716225.db2.gz PASMKWHBPPXXIM-HFVNIMEJSA-N 2 2 542.749 6.007 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000068249399 562716226 /nfs/dbraw/zinc/71/62/26/562716226.db2.gz PASMKWHBPPXXIM-HFVNIMEJSA-N 2 2 542.749 6.007 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071281524 562716688 /nfs/dbraw/zinc/71/66/88/562716688.db2.gz LCKPDYGWOISVFA-ZVBBVAIHSA-N 2 2 526.725 5.688 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071281524 562716689 /nfs/dbraw/zinc/71/66/89/562716689.db2.gz LCKPDYGWOISVFA-ZVBBVAIHSA-N 2 2 526.725 5.688 1 0 KKAFLP C[N@H+](CC[C@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330137 562719108 /nfs/dbraw/zinc/71/91/08/562719108.db2.gz KROSHEKWTTXFGB-DEOSSOPVSA-N 2 2 512.500 6.547 1 0 KKAFLP C[N@@H+](CC[C@H](F)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330137 562719109 /nfs/dbraw/zinc/71/91/09/562719109.db2.gz KROSHEKWTTXFGB-DEOSSOPVSA-N 2 2 512.500 6.547 1 0 KKAFLP C[C@H]1C=C(CCCCCCCCC[NH2+]CC[NH2+]C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071335151 562719676 /nfs/dbraw/zinc/71/96/76/562719676.db2.gz MMIAMAPNSXHRDA-VBOOUTDYSA-N 2 2 520.755 5.121 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc(NS(C)(=O)=O)c2F)CC1 ZINC000072128831 562726313 /nfs/dbraw/zinc/72/63/13/562726313.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 2 2 679.809 6.566 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc(NS(C)(=O)=O)c2F)CC1 ZINC000072128831 562726314 /nfs/dbraw/zinc/72/63/14/562726314.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 2 2 679.809 6.566 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129821 562726453 /nfs/dbraw/zinc/72/64/53/562726453.db2.gz LRWZYUPRBGDZAM-ULJKERAFSA-N 2 2 714.254 7.097 1 0 KKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129821 562726454 /nfs/dbraw/zinc/72/64/54/562726454.db2.gz LRWZYUPRBGDZAM-ULJKERAFSA-N 2 2 714.254 7.097 1 0 KKAFLP C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3[nH+]ccn32)CC1)[NH+]1CCCC1 ZINC000072139959 562729126 /nfs/dbraw/zinc/72/91/26/562729126.db2.gz DIVUWJFWEQMVAY-SMSORMJASA-N 2 2 503.090 5.812 1 0 KKAFLP C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3[nH+]ccn32)CC1)[NH+]1CCCC1 ZINC000072139960 562729130 /nfs/dbraw/zinc/72/91/30/562729130.db2.gz DIVUWJFWEQMVAY-YKGWIAGDSA-N 2 2 503.090 5.812 1 0 KKAFLP COc1cc2cc(c1OCC[NH+]1CCCC1)C[N@H+](C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 ZINC000073197059 562735272 /nfs/dbraw/zinc/73/52/72/562735272.db2.gz YIDRUYNPCLUMDM-ONEGZZNKSA-N 2 2 515.658 5.141 1 0 KKAFLP COc1cc2cc(c1OCC[NH+]1CCCC1)C[N@@H+](C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 ZINC000073197059 562735273 /nfs/dbraw/zinc/73/52/73/562735273.db2.gz YIDRUYNPCLUMDM-ONEGZZNKSA-N 2 2 515.658 5.141 1 0 KKAFLP COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)[NH+]1C ZINC000073274173 562737213 /nfs/dbraw/zinc/73/72/13/562737213.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)[NH+]1C ZINC000073274173 562737214 /nfs/dbraw/zinc/73/72/14/562737214.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)[N@@H+]1C ZINC000073274173 562737215 /nfs/dbraw/zinc/73/72/15/562737215.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 2 2 638.761 6.523 1 0 KKAFLP COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)[N@H+]1C ZINC000073274173 562737216 /nfs/dbraw/zinc/73/72/16/562737216.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 2 2 638.761 6.523 1 0 KKAFLP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000082140205 562739349 /nfs/dbraw/zinc/73/93/49/562739349.db2.gz ZCYSAJFRIDGCEZ-SSEXGKCCSA-N 2 2 660.042 5.671 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140801 562739609 /nfs/dbraw/zinc/73/96/09/562739609.db2.gz RRTHUXAZNUOCHY-WJOKGBTCSA-N 2 2 659.605 5.898 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082149279 562739716 /nfs/dbraw/zinc/73/97/16/562739716.db2.gz DVIJKGHPXHCHMH-GDLZYMKVSA-N 2 2 679.130 5.662 1 0 KKAFLP O=C([C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(CC[NH2+]C2CC2)ccc1Cl)C1CC1 ZINC000082153265 562740163 /nfs/dbraw/zinc/74/01/63/562740163.db2.gz APBQTWKYJSLODA-UUWRZZSWSA-N 2 2 631.217 5.116 1 0 KKAFLP C[C@H](Oc1cc(-c2cc(-c3cccc(C[NH+](C)C)c3)c[nH+]c2N)ccc1C(N)=O)c1ccccc1C(F)(F)F ZINC000084654625 562747287 /nfs/dbraw/zinc/74/72/87/562747287.db2.gz SJDSHZKOFYRALI-SFHVURJKSA-N 2 2 534.582 6.317 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000084712709 562750818 /nfs/dbraw/zinc/75/08/18/562750818.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[NH+](C)CC3 ZINC000084712709 562750819 /nfs/dbraw/zinc/75/08/19/562750819.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[NH+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000084712709 562750820 /nfs/dbraw/zinc/75/08/20/562750820.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 2 2 664.799 7.035 1 0 KKAFLP COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[NH+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000084712709 562750821 /nfs/dbraw/zinc/75/08/21/562750821.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 2 2 664.799 7.035 1 0 KKAFLP [NH3+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095539688 562755219 /nfs/dbraw/zinc/75/52/19/562755219.db2.gz PDNGGOJOABECHQ-PXLJZGITSA-N 3 2 793.200 5.894 1 0 KKAFLP [NH3+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095539688 562755220 /nfs/dbraw/zinc/75/52/20/562755220.db2.gz PDNGGOJOABECHQ-PXLJZGITSA-N 3 2 793.200 5.894 1 0 KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH2+]CC5 ZINC000095910145 562790311 /nfs/dbraw/zinc/79/03/11/562790311.db2.gz AFGMWONXXNDGGE-UIOOFZCWSA-N 2 2 548.639 6.606 1 0 biogenic,in-vitro KKAFLP COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)[NH2+]CC5 ZINC000095910145 562790312 /nfs/dbraw/zinc/79/03/12/562790312.db2.gz AFGMWONXXNDGGE-UIOOFZCWSA-N 2 2 548.639 6.606 1 0 biogenic,in-vitro KKAFLP CC(C)(C)n1nnnc1[C@H]([NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccc2ccccc21 ZINC000096915636 562801008 /nfs/dbraw/zinc/80/10/08/562801008.db2.gz RFCTUYDDYFISRH-AREMUKBSSA-N 2 2 500.050 5.964 1 0 KKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(OCC[NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000096940298 562804952 /nfs/dbraw/zinc/80/49/52/562804952.db2.gz FVICXVVOWQZYHH-UHFFFAOYSA-N 2 2 542.727 7.742 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000100076210 562806636 /nfs/dbraw/zinc/80/66/36/562806636.db2.gz MEEIOMOVAFXLEY-PKQPGRETSA-N 2 2 575.157 6.046 1 0 KKAFLP CC(=O)N1CCc2c([nH+]c(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000100076210 562806637 /nfs/dbraw/zinc/80/66/37/562806637.db2.gz MEEIOMOVAFXLEY-PKQPGRETSA-N 2 2 575.157 6.046 1 0 KKAFLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809836 /nfs/dbraw/zinc/80/98/36/562809836.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 3 2 576.785 6.851 1 0 KKAFLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809837 /nfs/dbraw/zinc/80/98/37/562809837.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 3 2 576.785 6.851 1 0 KKAFLP COC(=O)[C@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809926 /nfs/dbraw/zinc/80/99/26/562809926.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 3 2 604.839 7.468 1 0 KKAFLP COC(=O)[C@H](c1cccc(C)c1C)[NH+]1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)[nH+]c4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809927 /nfs/dbraw/zinc/80/99/27/562809927.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 3 2 604.839 7.468 1 0 KKAFLP COCCCN1CC[NH+]([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000101367530 562810429 /nfs/dbraw/zinc/81/04/29/562810429.db2.gz SGQJPPQXKVUHGS-RQNOJGIXSA-N 2 2 616.170 5.752 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227158 562817853 /nfs/dbraw/zinc/81/78/53/562817853.db2.gz SCNLACQHVSYICA-PJMCFOBISA-N 2 2 562.749 7.145 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227158 562817854 /nfs/dbraw/zinc/81/78/54/562817854.db2.gz SCNLACQHVSYICA-PJMCFOBISA-N 2 2 562.749 7.145 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(Nc4ccc(NCC[NH+](C)C)nc4)c3c2)cc(Cl)c1O ZINC000114038148 562827206 /nfs/dbraw/zinc/82/72/06/562827206.db2.gz AFBYVXCZFQHLEX-UHFFFAOYSA-N 2 2 532.044 5.974 1 0 KKAFLP C[NH2+][C@H]1CCN(c2ccc(Nc3c(C(C)=O)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038432 562827349 /nfs/dbraw/zinc/82/73/49/562827349.db2.gz HVDIRHNKXLIIAK-IBGZPJMESA-N 2 2 505.981 5.539 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([N@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789037 562830593 /nfs/dbraw/zinc/83/05/93/562830593.db2.gz JHUAOSPKENTLLI-IJCIRRAASA-N 2 2 618.262 8.070 1 0 KKAFLP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789037 562830594 /nfs/dbraw/zinc/83/05/94/562830594.db2.gz JHUAOSPKENTLLI-IJCIRRAASA-N 2 2 618.262 8.070 1 0 KKAFLP C[C@H]1CCC[N@@H+]1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(N4CCOCC4)[nH+]c3)cc21 ZINC000145379085 562837074 /nfs/dbraw/zinc/83/70/74/562837074.db2.gz BDZXHJKZIBGYHE-QHCPKHFHSA-N 2 2 546.115 5.890 1 0 KKAFLP C[C@H]1CCC[N@H+]1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(N4CCOCC4)[nH+]c3)cc21 ZINC000145379085 562837075 /nfs/dbraw/zinc/83/70/75/562837075.db2.gz BDZXHJKZIBGYHE-QHCPKHFHSA-N 2 2 546.115 5.890 1 0 KKAFLP COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786515 562839616 /nfs/dbraw/zinc/83/96/16/562839616.db2.gz YDTYYMZZBCKIOD-AJTFRIOCSA-N 2 2 538.627 5.198 1 0 KKAFLP COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786515 562839617 /nfs/dbraw/zinc/83/96/17/562839617.db2.gz YDTYYMZZBCKIOD-AJTFRIOCSA-N 2 2 538.627 5.198 1 0 KKAFLP O[C@@H](COc1c(Br)cc(C(c2cc(Br)c(OC[C@H](O)C[NH+]3CCOCC3)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br)C[NH+]1CCOCC1 ZINC000150561639 562844900 /nfs/dbraw/zinc/84/49/00/562844900.db2.gz OHOBNUOBOCABGF-WOJBJXKFSA-N 2 2 938.187 6.291 1 0 KKAFLP C[NH+]1CCN(C[C@H](O)COc2c(Br)cc(C(c3cc(Br)c(OC[C@@H](O)CN4CC[NH+](C)CC4)c(Br)c3)(C(F)(F)F)C(F)(F)F)cc2Br)CC1 ZINC000150561655 562844906 /nfs/dbraw/zinc/84/49/06/562844906.db2.gz GGMPSENEASCRJD-VXKWHMMOSA-N 2 2 964.273 6.122 1 0 KKAFLP CCOC(=O)C[N@@H+]1CCC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169290804 562851825 /nfs/dbraw/zinc/85/18/25/562851825.db2.gz LGYHEKIVFWTNCJ-PSIMNDKQSA-N 2 2 515.525 6.517 1 0 KKAFLP CCOC(=O)C[N@H+]1CCC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169290804 562851826 /nfs/dbraw/zinc/85/18/26/562851826.db2.gz LGYHEKIVFWTNCJ-PSIMNDKQSA-N 2 2 515.525 6.517 1 0 KKAFLP C[NH+]1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)n2)CC1 ZINC000169322275 562856814 /nfs/dbraw/zinc/85/68/14/562856814.db2.gz GDCMMNFEKDRQEN-UHFFFAOYSA-N 2 2 556.049 6.195 1 0 KKAFLP COc1ccc(Nc2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CC[NH+](C)CC3)n2)cc1OC ZINC000169323805 562857184 /nfs/dbraw/zinc/85/71/84/562857184.db2.gz ZYVVUYXHXUDRHI-UHFFFAOYSA-N 2 2 598.111 6.073 1 0 KKAFLP O=C(OCC[NH+]1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000169334232 562859448 /nfs/dbraw/zinc/85/94/48/562859448.db2.gz JUXWNLFIIPPKGJ-UHFFFAOYSA-N 2 2 620.550 6.755 1 0 KKAFLP CCCCCCS(=O)(=O)c1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(S(=O)(=O)CCCCCC)cc2)cc1 ZINC000169337239 562859970 /nfs/dbraw/zinc/85/99/70/562859970.db2.gz UFAJDKSZDZMWPV-UHFFFAOYSA-N 4 2 733.022 5.576 1 0 KKAFLP Cc1[nH+]c2ccccc2n1[C@H](COC(=O)C1CCN(c2nc3ccccc3n2Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000169353296 562863453 /nfs/dbraw/zinc/86/34/53/562863453.db2.gz QYUVFYGTFHZBIK-WJOKGBTCSA-N 2 2 582.774 5.805 1 0 KKAFLP O=C(NC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353291 562863460 /nfs/dbraw/zinc/86/34/60/562863460.db2.gz WPMNTAYLADYTEB-DHUJRADRSA-N 2 2 643.861 6.736 1 0 KKAFLP O=C(NC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)C1CCN(c2[nH+]c3ccccc3n2Cc2ccsc2)CC1 ZINC000169353292 562863470 /nfs/dbraw/zinc/86/34/70/562863470.db2.gz WPMNTAYLADYTEB-PGUFJCEWSA-N 2 2 643.861 6.736 1 0 KKAFLP Nc1[nH+]cccc1-c1nc2ccc(-c3cccc(N4CCN(C(=O)C5CC5)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697644 562866533 /nfs/dbraw/zinc/86/65/33/562866533.db2.gz SBABAXGJFRBKNM-UHFFFAOYSA-N 2 2 584.728 5.128 1 0 KKAFLP C[N@@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874288 /nfs/dbraw/zinc/87/42/88/562874288.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N 2 2 520.008 6.199 1 0 KKAFLP C[N@@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874290 /nfs/dbraw/zinc/87/42/90/562874290.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N 2 2 520.008 6.199 1 0 KKAFLP C[N@H+]1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874291 /nfs/dbraw/zinc/87/42/91/562874291.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N 2 2 520.008 6.199 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000219343252 562878043 /nfs/dbraw/zinc/87/80/43/562878043.db2.gz GXWACTLDHJZZJS-HXUWFJFHSA-N 2 2 520.008 5.881 1 0 KKAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C(C)C)c(Nc4ccc(C[NH+](C)C)cc4)c3c2)cc(Cl)c1O ZINC000219347058 562878049 /nfs/dbraw/zinc/87/80/49/562878049.db2.gz ZRIQOLFNQWPVCS-UHFFFAOYSA-N 2 2 504.030 6.913 1 0 KKAFLP CNc1nc(-c2ccc(CC[NH+]3CCN(CCCC[NH+]4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299833077 562886054 /nfs/dbraw/zinc/88/60/54/562886054.db2.gz NUWLFDFFGNMWJQ-UHFFFAOYSA-N 2 2 553.220 5.268 1 0 KKAFLP CNc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccccc5Cl)CC4)CC3)cc2)cs1 ZINC000299833077 562886055 /nfs/dbraw/zinc/88/60/55/562886055.db2.gz NUWLFDFFGNMWJQ-UHFFFAOYSA-N 2 2 553.220 5.268 1 0 KKAFLP O=C(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)C1CC1 ZINC000473152135 562901730 /nfs/dbraw/zinc/90/17/30/562901730.db2.gz RSKJDTLFUJLASQ-ZPMCFJSWSA-N 2 2 554.518 5.966 1 0 KKAFLP O=C(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)C1CC1 ZINC000473152135 562901731 /nfs/dbraw/zinc/90/17/31/562901731.db2.gz RSKJDTLFUJLASQ-ZPMCFJSWSA-N 2 2 554.518 5.966 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000473179705 562903410 /nfs/dbraw/zinc/90/34/10/562903410.db2.gz BMOCLKLZKOXJNI-YYWHXJBOSA-N 3 2 511.041 5.028 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000473179705 562903411 /nfs/dbraw/zinc/90/34/11/562903411.db2.gz BMOCLKLZKOXJNI-YYWHXJBOSA-N 3 2 511.041 5.028 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000473179727 562903430 /nfs/dbraw/zinc/90/34/30/562903430.db2.gz KSCUNLBQUFBXFH-NYVOZVTQSA-N 2 2 541.523 5.933 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000473179727 562903431 /nfs/dbraw/zinc/90/34/31/562903431.db2.gz KSCUNLBQUFBXFH-NYVOZVTQSA-N 2 2 541.523 5.933 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000473179770 562903479 /nfs/dbraw/zinc/90/34/79/562903479.db2.gz WBGAGQYLUBFTDF-NYVOZVTQSA-N 2 2 542.507 5.966 1 0 KKAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)CC1 ZINC000473179770 562903480 /nfs/dbraw/zinc/90/34/80/562903480.db2.gz WBGAGQYLUBFTDF-NYVOZVTQSA-N 2 2 542.507 5.966 1 0 KKAFLP CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473183001 562903537 /nfs/dbraw/zinc/90/35/37/562903537.db2.gz HGMGHFQEXVUOHB-XGAFWQRZSA-N 2 2 526.508 6.995 1 0 KKAFLP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc32)CC1 ZINC000473201003 562903818 /nfs/dbraw/zinc/90/38/18/562903818.db2.gz PEAZQTKOWOEYCZ-UKIBZPOASA-N 2 2 512.481 6.461 1 0 KKAFLP CC(=O)Nc1ccc2c3c1cccc3C(=O)N(CCCC[NH+]1CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O ZINC000653916416 562917919 /nfs/dbraw/zinc/91/79/19/562917919.db2.gz WCNVCGGOZIHRLK-UHFFFAOYSA-N 2 2 632.740 6.288 1 0 KKAFLP CCC1C=C(c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=[NH+]1 ZINC000103533105 565194656 /nfs/dbraw/zinc/19/46/56/565194656.db2.gz JZVCOFGUXDYEGN-UHFFFAOYSA-N 2 2 638.741 5.179 1 0 biogenic,in-vitro KKAFLP