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)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000001482734 561675747 /nfs/dbraw/zinc/67/57/47/561675747.db2.gz VQAVBHLGXVZOKM-ATEJDMMGSA-N 1 2 510.704 3.573 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000001482734 561675745 /nfs/dbraw/zinc/67/57/45/561675745.db2.gz VQAVBHLGXVZOKM-ATEJDMMGSA-N 1 2 510.704 3.573 1 0 KHAFLO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000001490515 561676257 /nfs/dbraw/zinc/67/62/57/561676257.db2.gz YFKQDXLMNXUUCE-IZZNHLLZSA-N 1 2 511.626 3.525 1 0 KHAFLO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000001490516 561676231 /nfs/dbraw/zinc/67/62/31/561676231.db2.gz YMGUIYGNPNHCSA-IZZNHLLZSA-N 1 2 513.617 3.958 1 0 KHAFLO NC(=O)c1nn(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c2c1CCN(c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)C2=O ZINC000001494457 561676558 /nfs/dbraw/zinc/67/65/58/561676558.db2.gz BDKLFZCQLLSCKU-UHFFFAOYSA-N 1 2 574.645 3.515 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000003777438 561682221 /nfs/dbraw/zinc/68/22/21/561682221.db2.gz VQAVBHLGXVZOKM-RASJMTDNSA-N 1 2 510.704 3.573 1 0 in-vitro KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000003777438 561682219 /nfs/dbraw/zinc/68/22/19/561682219.db2.gz VQAVBHLGXVZOKM-RASJMTDNSA-N 1 2 510.704 3.573 1 0 in-vitro KHAFLO O=c1nc2[nH]c3ccc(OCCCCS(=O)(=O)C4CC[NH+](Cc5ccc(F)cc5)CC4)cc3cc-2[nH]1 ZINC000003783604 561682329 /nfs/dbraw/zinc/68/23/29/561682329.db2.gz RNACRTSDBBQYMX-UHFFFAOYSA-N 1 2 512.607 3.782 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH]c[nH+]1)CCS(C)(=O)=O)C2 ZINC000003923117 561686009 /nfs/dbraw/zinc/68/60/09/561686009.db2.gz XOPKLRFXUQYBBS-DUIWDDNPSA-N 1 2 645.892 3.513 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH+]c[nH]1)CCS(C)(=O)=O)C2 ZINC000003923117 561686007 /nfs/dbraw/zinc/68/60/07/561686007.db2.gz XOPKLRFXUQYBBS-DUIWDDNPSA-N 1 2 645.892 3.513 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](C)c1ccccc1 ZINC000003932059 561687759 /nfs/dbraw/zinc/68/77/59/561687759.db2.gz MJLGUTZCFJYYLS-MCNYKVIWSA-N 1 2 526.722 3.854 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](C)c1ccccc1 ZINC000003932059 561687758 /nfs/dbraw/zinc/68/77/58/561687758.db2.gz MJLGUTZCFJYYLS-MCNYKVIWSA-N 1 2 526.722 3.854 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000003932732 561687886 /nfs/dbraw/zinc/68/78/86/561687886.db2.gz ZYXJGWBYPOHODT-JCHHYUSOSA-N 1 2 641.922 3.557 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000003932732 561687884 /nfs/dbraw/zinc/68/78/84/561687884.db2.gz ZYXJGWBYPOHODT-JCHHYUSOSA-N 1 2 641.922 3.557 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000003937122 561688678 /nfs/dbraw/zinc/68/86/78/561688678.db2.gz GQORGUOHDKHJIQ-MNUOIFNESA-N 1 2 541.668 3.594 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000003937122 561688676 /nfs/dbraw/zinc/68/86/76/561688676.db2.gz GQORGUOHDKHJIQ-MNUOIFNESA-N 1 2 541.668 3.594 1 0 KHAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000003937540 561688721 /nfs/dbraw/zinc/68/87/21/561688721.db2.gz CVFCJLILVAMXQM-IMKBVMFZSA-N 1 2 670.770 3.800 1 0 KHAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000003937540 561688719 /nfs/dbraw/zinc/68/87/19/561688719.db2.gz CVFCJLILVAMXQM-IMKBVMFZSA-N 1 2 670.770 3.800 1 0 KHAFLO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000003966399 561691688 /nfs/dbraw/zinc/69/16/88/561691688.db2.gz YFKQDXLMNXUUCE-FTJBHMTQSA-N 1 2 511.626 3.937 1 0 KHAFLO CCCCS(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000003985870 561692751 /nfs/dbraw/zinc/69/27/51/561692751.db2.gz IOFHCVGMHADWNJ-UHFFFAOYSA-N 1 2 564.726 3.686 1 0 KHAFLO CCOC(=O)c1sc(Nc2nc3c(c(N4CC[NH2+]CC4)n2)CCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000006733306 561703222 /nfs/dbraw/zinc/70/32/22/561703222.db2.gz MVIWXRZOQSTYBS-UHFFFAOYSA-N 1 2 583.715 3.550 1 0 KHAFLO CCOC(=O)c1sc(Nc2nc3c(c(N4CC[NH+](C)CC4)n2)CCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000006733307 561703198 /nfs/dbraw/zinc/70/31/98/561703198.db2.gz GTMHFFSKLZXYRC-UHFFFAOYSA-N 1 2 583.715 3.502 1 0 KHAFLO CC(=O)N1CC[NH+](Cc2cc3cc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)ccc3o2)CC1 ZINC000013441705 561712698 /nfs/dbraw/zinc/71/26/98/561712698.db2.gz VYBTWAHKQIMKCQ-UHFFFAOYSA-N 1 2 516.598 3.858 1 0 KHAFLO O=C(NC1CCCCC1)N1CCN(c2ccc(N(Cc3c[nH]c[nH+]3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013489396 561715735 /nfs/dbraw/zinc/71/57/35/561715735.db2.gz LKPBGOKCIKHSRO-UHFFFAOYSA-N 1 2 522.675 3.970 1 0 KHAFLO O=C(NC1CCCCC1)N1CCN(c2ccc(N(Cc3c[nH+]c[nH]3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013489396 561715734 /nfs/dbraw/zinc/71/57/34/561715734.db2.gz LKPBGOKCIKHSRO-UHFFFAOYSA-N 1 2 522.675 3.970 1 0 KHAFLO O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCN(c2cc(I)ccc2Cl)CC1 ZINC000013560141 561719727 /nfs/dbraw/zinc/71/97/27/561719727.db2.gz BVYRODJRYHZDHU-UHFFFAOYSA-N 1 2 515.823 3.776 1 0 KHAFLO O=C(CCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013725872 561725001 /nfs/dbraw/zinc/72/50/01/561725001.db2.gz IABORSLPWCIDSR-UHFFFAOYSA-N 1 2 513.520 3.927 1 0 KHAFLO O=C(CCCOc1ccc2[nH]c3nc(=O)[nH]c-3cc2c1)N1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC000013725885 561724989 /nfs/dbraw/zinc/72/49/89/561724989.db2.gz FWGPLDBDKRMGLL-UHFFFAOYSA-N 1 2 527.547 3.969 1 0 KHAFLO CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000013731690 561725153 /nfs/dbraw/zinc/72/51/53/561725153.db2.gz VQAVBHLGXVZOKM-YBZFOXLFSA-N 1 2 510.704 3.573 1 0 KHAFLO CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000013731690 561725152 /nfs/dbraw/zinc/72/51/52/561725152.db2.gz VQAVBHLGXVZOKM-YBZFOXLFSA-N 1 2 510.704 3.573 1 0 KHAFLO COc1ccccc1CN(C[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000013746544 561726675 /nfs/dbraw/zinc/72/66/75/561726675.db2.gz IBWUZTJASHTQDR-MUUNZHRXSA-N 1 2 514.670 3.593 1 0 KHAFLO COc1ccccc1CN(C[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000013746547 561726748 /nfs/dbraw/zinc/72/67/48/561726748.db2.gz IBWUZTJASHTQDR-NDEPHWFRSA-N 1 2 514.670 3.593 1 0 KHAFLO COc1ccccc1CN(C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1)C(C)=O ZINC000013746549 561726731 /nfs/dbraw/zinc/72/67/31/561726731.db2.gz ZARWJSGCHUURQL-MUUNZHRXSA-N 1 2 500.643 3.723 1 0 KHAFLO COc1ccccc1CN(C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1)C(C)=O ZINC000013746551 561726683 /nfs/dbraw/zinc/72/66/83/561726683.db2.gz ZARWJSGCHUURQL-NDEPHWFRSA-N 1 2 500.643 3.723 1 0 KHAFLO O=C(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1c(O)ccc(Br)c1O ZINC000013747160 561726971 /nfs/dbraw/zinc/72/69/71/561726971.db2.gz YQHSWEOSWHNZLJ-UHFFFAOYSA-N 1 2 505.438 3.802 1 0 KHAFLO COC(=O)c1cccc2c1c(C(=O)C[NH+]1CCC(n3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C ZINC000013776680 561728663 /nfs/dbraw/zinc/72/86/63/561728663.db2.gz GYOXBIRWEXESML-UHFFFAOYSA-N 1 2 502.575 3.531 1 0 KHAFLO C=CC(=O)N(C)c1nc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000013806974 561731456 /nfs/dbraw/zinc/73/14/56/561731456.db2.gz FHHOEGKZVIYWLM-UHFFFAOYSA-N 1 2 500.962 3.811 1 0 KHAFLO CCOC(=O)C(CCCCn1c[nH+]c2c1NC=NC[C@@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000013807833 561731507 /nfs/dbraw/zinc/73/15/07/561731507.db2.gz JCFLAQSWFIJKIG-IBGZPJMESA-N 1 2 524.540 3.915 1 0 KHAFLO CCOC(=O)C(CCCCn1c[nH+]c2c1NC=NC[C@H]2O)(Cc1ccccc1C(F)(F)F)C(=O)OCC ZINC000013807835 561731452 /nfs/dbraw/zinc/73/14/52/561731452.db2.gz JCFLAQSWFIJKIG-LJQANCHMSA-N 1 2 524.540 3.915 1 0 KHAFLO COc1ccc(C[C@@H]2CN(Cc3c[nH]c[nH+]3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813400 561731887 /nfs/dbraw/zinc/73/18/87/561731887.db2.gz KFKANIQRRNPYNQ-HXUWFJFHSA-N 1 2 505.438 3.574 1 0 KHAFLO COc1ccc(C[C@@H]2CN(Cc3c[nH+]c[nH]3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813400 561731886 /nfs/dbraw/zinc/73/18/86/561731886.db2.gz KFKANIQRRNPYNQ-HXUWFJFHSA-N 1 2 505.438 3.574 1 0 KHAFLO COc1ccc(C[C@H]2CN(Cc3c[nH]c[nH+]3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813403 561731832 /nfs/dbraw/zinc/73/18/32/561731832.db2.gz KFKANIQRRNPYNQ-FQEVSTJZSA-N 1 2 505.438 3.574 1 0 KHAFLO COc1ccc(C[C@H]2CN(Cc3c[nH+]c[nH]3)c3ccc(Br)cc3CN2S(C)(=O)=O)cc1 ZINC000013813403 561731831 /nfs/dbraw/zinc/73/18/31/561731831.db2.gz KFKANIQRRNPYNQ-FQEVSTJZSA-N 1 2 505.438 3.574 1 0 KHAFLO O=C(c1ccc(OCCC[N@@H+]2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 ZINC000013859896 561734421 /nfs/dbraw/zinc/73/44/21/561734421.db2.gz KLHSXAZZKUOFFG-FQEVSTJZSA-N 1 2 507.450 3.864 1 0 KHAFLO O=C(c1ccc(OCCC[N@H+]2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 ZINC000013859896 561734419 /nfs/dbraw/zinc/73/44/19/561734419.db2.gz KLHSXAZZKUOFFG-FQEVSTJZSA-N 1 2 507.450 3.864 1 0 KHAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2csc3ccccc23)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000014210461 561737830 /nfs/dbraw/zinc/73/78/30/561737830.db2.gz ZWFDZDQFUCUABT-IWVFXYMLSA-N 1 2 578.779 3.969 1 0 KHAFLO COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)sc2n1 ZINC000014211124 561738111 /nfs/dbraw/zinc/73/81/11/561738111.db2.gz GMGMDWSPSKXMJH-NRFANRHFSA-N 1 2 543.715 3.939 1 0 KHAFLO COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)sc2n1 ZINC000014211126 561738047 /nfs/dbraw/zinc/73/80/47/561738047.db2.gz GMGMDWSPSKXMJH-OAQYLSRUSA-N 1 2 543.715 3.939 1 0 in-vitro KHAFLO C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943100 561740759 /nfs/dbraw/zinc/74/07/59/561740759.db2.gz QTNAAUNGPVSOQG-UTRCQKEQSA-N 1 2 558.748 3.587 1 0 KHAFLO C[C@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943101 561740725 /nfs/dbraw/zinc/74/07/25/561740725.db2.gz QTNAAUNGPVSOQG-JZJGJFRJSA-N 1 2 558.748 3.587 1 0 KHAFLO CCN(c1[nH+]cccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943757 561742036 /nfs/dbraw/zinc/74/20/36/561742036.db2.gz CJVSAUCGCNOXQW-UHFFFAOYSA-N 1 2 596.802 3.809 1 0 KHAFLO CCN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943767 561742025 /nfs/dbraw/zinc/74/20/25/561742025.db2.gz JGKDWWQATLKFHB-UHFFFAOYSA-N 1 2 614.792 3.948 1 0 KHAFLO O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1)c1ccc(O)cc1 ZINC000014944138 561742099 /nfs/dbraw/zinc/74/20/99/561742099.db2.gz ZAJQYUWPDCAPGD-ZEQKJWHPSA-N 1 2 556.571 3.601 1 0 KHAFLO C[C@@]1([N@H+](Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946410 561743862 /nfs/dbraw/zinc/74/38/62/561743862.db2.gz WJNUCRCRECFEDH-VJPBLZNCSA-N 1 2 571.674 3.816 1 0 KHAFLO C[C@@]1([N@@H+](Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946410 561743860 /nfs/dbraw/zinc/74/38/60/561743860.db2.gz WJNUCRCRECFEDH-VJPBLZNCSA-N 1 2 571.674 3.816 1 0 KHAFLO C[C@]1([N@H+](Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946411 561743832 /nfs/dbraw/zinc/74/38/32/561743832.db2.gz WJNUCRCRECFEDH-NERNPWRGSA-N 1 2 571.674 3.816 1 0 KHAFLO C[C@]1([N@@H+](Cc2ccccc2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(=O)Nc2ccccc21 ZINC000014946411 561743830 /nfs/dbraw/zinc/74/38/30/561743830.db2.gz WJNUCRCRECFEDH-NERNPWRGSA-N 1 2 571.674 3.816 1 0 KHAFLO CC(=O)N1CC[NH+](CCOc2cc3ncnc(Nc4c5c(ccc4F)OCO5)c3c(OC(C)C)c2)CC1 ZINC000014949466 561745046 /nfs/dbraw/zinc/74/50/46/561745046.db2.gz ODKPHHJCMRKOPX-UHFFFAOYSA-N 1 2 511.554 3.571 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCN(Cc2c[nH+]cn2C)c2ccc(Br)cc2)Cc2ccccc2)c1 ZINC000014952247 561746248 /nfs/dbraw/zinc/74/62/48/561746248.db2.gz IJCDWDJDJPZXSX-UHFFFAOYSA-N 1 2 543.491 3.814 1 0 KHAFLO CCn1c2cc(Oc3cccc(NC(=O)c4ccc(C[NH+]5CCOCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954326 561746920 /nfs/dbraw/zinc/74/69/20/561746920.db2.gz KVIMVKMFYDMNIY-UHFFFAOYSA-N 1 2 540.584 3.960 1 0 KHAFLO CCCc1cc(-c2ccccc2)cc(CCC)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956367 561747593 /nfs/dbraw/zinc/74/75/93/561747593.db2.gz NTSDFQBCKBKNJW-UHFFFAOYSA-N 1 2 558.731 3.835 1 0 KHAFLO Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956376 561747607 /nfs/dbraw/zinc/74/76/07/561747607.db2.gz XLKOPUNLSAOKDW-UHFFFAOYSA-N 1 2 564.694 3.905 1 0 KHAFLO Cc1cc(-c2ccccc2)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(-c2ccccc2)c1 ZINC000014956399 561747610 /nfs/dbraw/zinc/74/76/10/561747610.db2.gz HFSQGUSWDXVGSO-UHFFFAOYSA-N 1 2 564.694 3.905 1 0 KHAFLO NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(-[n+]3c(-c4ccccc4)cccc3-c3ccccc3)cc2)s1 ZINC000014956403 561747632 /nfs/dbraw/zinc/74/76/32/561747632.db2.gz OZFRFGQPSWWRFN-UHFFFAOYSA-N 1 2 550.667 3.597 1 0 KHAFLO COCCCN1C(=O)COc2ccc(OC[C@H]3C[NH2+]CC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966576 561749983 /nfs/dbraw/zinc/74/99/83/561749983.db2.gz WKNXTOXSVTVKNH-HHHXNRCGSA-N 1 2 619.715 3.827 1 0 KHAFLO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000016052258 561753851 /nfs/dbraw/zinc/75/38/51/561753851.db2.gz NIFMMESJJLKLHP-BNJIMDBKSA-N 1 2 563.124 3.706 1 0 in-vitro KHAFLO CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000016052353 561753880 /nfs/dbraw/zinc/75/38/80/561753880.db2.gz XIQAKRFMIYGAIR-XZWHSSHBSA-N 1 2 610.702 3.826 1 0 in-vitro KHAFLO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCOCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000020576163 561758678 /nfs/dbraw/zinc/75/86/78/561758678.db2.gz GFYQPXSUGSSZHL-UHFFFAOYSA-N 1 2 511.667 3.666 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(Cl)c(OC)c(OC)c1 ZINC000021290020 561758942 /nfs/dbraw/zinc/75/89/42/561758942.db2.gz JSRBLTDXTLVOCZ-UHFFFAOYSA-N 1 2 573.042 3.731 1 0 KHAFLO O[C@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022449015 561759218 /nfs/dbraw/zinc/75/92/18/561759218.db2.gz NQHBITGSRALMRC-IZZNHLLZSA-N 1 2 528.657 3.672 1 0 KHAFLO O=C([O-])CCC(=O)N(CCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000022930591 561760218 /nfs/dbraw/zinc/76/02/18/561760218.db2.gz PUSYKFULBVBEBE-UHFFFAOYSA-N 1 2 516.086 3.801 1 0 KHAFLO O=C([O-])CCC(=O)N(CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)CC1CC1 ZINC000022930591 561760216 /nfs/dbraw/zinc/76/02/16/561760216.db2.gz PUSYKFULBVBEBE-UHFFFAOYSA-N 1 2 516.086 3.801 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)N[C@@H](C)c4cccc5ccccc54)CC3)ccc2s1 ZINC000022932385 561760265 /nfs/dbraw/zinc/76/02/65/561760265.db2.gz VVBWFPHSMNKWQI-NZQKXSOJSA-N 1 2 518.683 3.993 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)N[C@H](C)c4ccc5ccccc5c4)CC3)ccc2s1 ZINC000022932389 561760331 /nfs/dbraw/zinc/76/03/31/561760331.db2.gz ZFBBPHDPDPYJOR-CJFMBICVSA-N 1 2 518.683 3.993 1 0 KHAFLO CC(C)[NH+]1CCN(C2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)NC(=O)NC2=O)CC1 ZINC000022933637 561760516 /nfs/dbraw/zinc/76/05/16/561760516.db2.gz GIJHNOWTLZLFTF-UHFFFAOYSA-N 1 2 501.381 3.669 1 0 KHAFLO O[C@@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022935825 561760699 /nfs/dbraw/zinc/76/06/99/561760699.db2.gz NQHBITGSRALMRC-FTJBHMTQSA-N 1 2 528.657 3.672 1 0 KHAFLO O[C@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022935829 561760708 /nfs/dbraw/zinc/76/07/08/561760708.db2.gz NQHBITGSRALMRC-UIOOFZCWSA-N 1 2 528.657 3.672 1 0 KHAFLO O[C@@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022935834 561760744 /nfs/dbraw/zinc/76/07/44/561760744.db2.gz NQHBITGSRALMRC-CLJLJLNGSA-N 1 2 528.657 3.672 1 0 KHAFLO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1c2ccccc2C[C@H]1C(=O)NCc1ccccc1 ZINC000022941532 561761047 /nfs/dbraw/zinc/76/10/47/561761047.db2.gz WNYJACXWJDHSMQ-MHZLTWQESA-N 1 2 503.046 3.732 1 0 KHAFLO Cc1cc(COc2ccc(C3(N4CC[NH+](C(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000023247646 561761336 /nfs/dbraw/zinc/76/13/36/561761336.db2.gz INGVNDTUNOZHOP-UHFFFAOYSA-N 1 2 501.587 3.550 1 0 KHAFLO Cc1cc(COc2ccc(C3(N4CC[NH+](Cc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000023254512 561761454 /nfs/dbraw/zinc/76/14/54/561761454.db2.gz WZUCVDGGDSHNQU-UHFFFAOYSA-N 1 2 549.631 3.501 1 0 KHAFLO CC(C)CCNC(=O)[C@@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026146649 561767314 /nfs/dbraw/zinc/76/73/14/561767314.db2.gz COCDSOIMARBICK-XJVHMKQHSA-N 1 2 712.933 3.693 1 0 KHAFLO CC(C)CCNC(=O)[C@@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026146649 561767313 /nfs/dbraw/zinc/76/73/13/561767313.db2.gz COCDSOIMARBICK-XJVHMKQHSA-N 1 2 712.933 3.693 1 0 KHAFLO O=C(NC[C@H]1CO[C@](Cn2cc[nH+]c2)(c2ccc(Cl)cc2Cl)O1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000026163870 561768927 /nfs/dbraw/zinc/76/89/27/561768927.db2.gz GTBBDUUGZFMWKC-XAXKJMDRSA-N 1 2 573.433 3.902 1 0 KHAFLO O=C(NC[C@H]1CO[C@](Cn2cc[nH+]c2)(c2ccc(Cl)cc2Cl)O1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000026163880 561768965 /nfs/dbraw/zinc/76/89/65/561768965.db2.gz GTBBDUUGZFMWKC-OSADXMDESA-N 1 2 573.433 3.902 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026169211 561769551 /nfs/dbraw/zinc/76/95/51/561769551.db2.gz AYWSMVYQEPKYGK-UHFFFAOYSA-N 1 2 648.724 3.731 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5c4)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026169909 561769809 /nfs/dbraw/zinc/76/98/09/561769809.db2.gz LADOLAKJXVWDRY-UHFFFAOYSA-N 1 2 648.724 3.731 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cs3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026172752 561770221 /nfs/dbraw/zinc/77/02/21/561770221.db2.gz QGVFSKKILOEDHF-UHFFFAOYSA-N 1 2 654.753 3.792 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cs2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026176255 561770911 /nfs/dbraw/zinc/77/09/11/561770911.db2.gz JANUTYNYSOAOPC-UHFFFAOYSA-N 1 2 654.753 3.792 1 0 KHAFLO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)n(C)c1 ZINC000026178827 561771312 /nfs/dbraw/zinc/77/13/12/561771312.db2.gz GLCQCDUBPMZTIU-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO Cn1cc(NC(=O)c2cccc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)c2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026179363 561771384 /nfs/dbraw/zinc/77/13/84/561771384.db2.gz VRERPNHOVJZYBT-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cccc(NC(=O)c4sccc4Cl)c3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026179369 561771406 /nfs/dbraw/zinc/77/14/06/561771406.db2.gz ADHCIWMCQBQSMU-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180709 561771608 /nfs/dbraw/zinc/77/16/08/561771608.db2.gz KPNAAOHKCFCKRV-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4nccc5ccccc54)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180759 561771770 /nfs/dbraw/zinc/77/17/70/561771770.db2.gz UHHQGDMETUIODV-UHFFFAOYSA-N 1 2 648.724 3.731 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(NC(=O)c4sccc4Cl)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026181276 561771823 /nfs/dbraw/zinc/77/18/23/561771823.db2.gz STOQISZVEQWJIM-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)n(C)c1 ZINC000026181282 561771776 /nfs/dbraw/zinc/77/17/76/561771776.db2.gz YOKXVZGIKWSSCW-UHFFFAOYSA-N 1 2 638.150 3.897 1 0 KHAFLO CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000026190035 561773413 /nfs/dbraw/zinc/77/34/13/561773413.db2.gz KWNSHLULLUMPEV-ZZDWIIDQSA-N 1 2 705.919 3.575 1 0 KHAFLO CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000026190035 561773412 /nfs/dbraw/zinc/77/34/12/561773412.db2.gz KWNSHLULLUMPEV-ZZDWIIDQSA-N 1 2 705.919 3.575 1 0 KHAFLO Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026247465 561773433 /nfs/dbraw/zinc/77/34/33/561773433.db2.gz RZVUQSWEVREBLV-DZUOILHNSA-N 1 2 667.877 3.915 1 0 KHAFLO Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026247465 561773432 /nfs/dbraw/zinc/77/34/32/561773432.db2.gz RZVUQSWEVREBLV-DZUOILHNSA-N 1 2 667.877 3.915 1 0 KHAFLO COc1ccccc1OCC[NH+]1CCN(c2cnn(CCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026252631 561774415 /nfs/dbraw/zinc/77/44/15/561774415.db2.gz FSWWUIWPXUKKLV-UHFFFAOYSA-N 1 2 587.552 3.582 1 0 KHAFLO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC[NH+]3CCOCC3)c2)cc1 ZINC000026264889 561776185 /nfs/dbraw/zinc/77/61/85/561776185.db2.gz KBZGUXPZOIBUME-MGBGTMOVSA-N 1 2 605.640 3.551 1 0 KHAFLO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC[NH+]3CCOCC3)c2)cc1 ZINC000026264896 561776164 /nfs/dbraw/zinc/77/61/64/561776164.db2.gz KBZGUXPZOIBUME-XIFFEERXSA-N 1 2 605.640 3.551 1 0 KHAFLO CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026266637 561776327 /nfs/dbraw/zinc/77/63/27/561776327.db2.gz KKLAPKXHEWFDJD-FWEHEUNISA-N 1 2 601.814 3.752 1 0 KHAFLO CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026266637 561776326 /nfs/dbraw/zinc/77/63/26/561776326.db2.gz KKLAPKXHEWFDJD-FWEHEUNISA-N 1 2 601.814 3.752 1 0 KHAFLO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000026273581 561777756 /nfs/dbraw/zinc/77/77/56/561777756.db2.gz TUJJSLRNRRQPKT-WJOKGBTCSA-N 1 2 545.588 3.533 1 0 KHAFLO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000026273588 561777725 /nfs/dbraw/zinc/77/77/25/561777725.db2.gz TUJJSLRNRRQPKT-HKBQPEDESA-N 1 2 545.588 3.533 1 0 KHAFLO CC(C)c1cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026296453 561781557 /nfs/dbraw/zinc/78/15/57/561781557.db2.gz CJACPKQRPLMISK-WWPLQOFTSA-N 1 2 685.932 3.516 1 0 KHAFLO CC(C)c1cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026296453 561781556 /nfs/dbraw/zinc/78/15/56/561781556.db2.gz CJACPKQRPLMISK-WWPLQOFTSA-N 1 2 685.932 3.516 1 0 KHAFLO CC[C@@H](C)c1cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375725 561781808 /nfs/dbraw/zinc/78/18/08/561781808.db2.gz HJGGEQSINIZGAQ-PTXILSDTSA-N 1 2 699.959 3.906 1 0 KHAFLO CC[C@@H](C)c1cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375725 561781807 /nfs/dbraw/zinc/78/18/07/561781807.db2.gz HJGGEQSINIZGAQ-PTXILSDTSA-N 1 2 699.959 3.906 1 0 KHAFLO CC[C@H](C)c1cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375727 561781880 /nfs/dbraw/zinc/78/18/80/561781880.db2.gz HJGGEQSINIZGAQ-IOQHFJOQSA-N 1 2 699.959 3.906 1 0 KHAFLO CC[C@H](C)c1cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026375727 561781878 /nfs/dbraw/zinc/78/18/78/561781878.db2.gz HJGGEQSINIZGAQ-IOQHFJOQSA-N 1 2 699.959 3.906 1 0 KHAFLO COc1cccc(OC)c1-c1ccc(C[C@@H]2/[NH+]=C(\[C@@H]3CCN3S(=O)(=O)c3ccccc3)NCc3nccn3C2=O)cc1 ZINC000026387639 561784779 /nfs/dbraw/zinc/78/47/79/561784779.db2.gz SHQGSLOFLHHOQQ-DQEYMECFSA-N 1 2 585.686 3.784 1 0 KHAFLO Cc1c2cc(c(C)[n+]1-c1ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)CCCCCCCCC2 ZINC000026398206 561787623 /nfs/dbraw/zinc/78/76/23/561787623.db2.gz OPURNPRECWSMQM-UHFFFAOYSA-N 1 2 550.752 3.709 1 0 KHAFLO O=C(NCCNS(=O)(=O)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026399663 561787964 /nfs/dbraw/zinc/78/79/64/561787964.db2.gz QFAHARZTTSOXBO-PMERELPUSA-N 1 2 723.683 3.716 1 0 KHAFLO CN1Cc2ccccc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026573705 561798570 /nfs/dbraw/zinc/79/85/70/561798570.db2.gz XEWYHQUBPLPDSW-XMMPIXPASA-N 1 2 528.656 3.537 1 0 KHAFLO CN1Cc2ccccc2[C@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1OCc1ccc(NS(C)(=O)=O)cc1 ZINC000026573708 561798581 /nfs/dbraw/zinc/79/85/81/561798581.db2.gz XEWYHQUBPLPDSW-DEOSSOPVSA-N 1 2 528.656 3.537 1 0 KHAFLO C[C@@H]1CN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000026575948 561799701 /nfs/dbraw/zinc/79/97/01/561799701.db2.gz VIKGOSVYIHJCQR-ZEQKJWHPSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@@H]1CN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000026575948 561799700 /nfs/dbraw/zinc/79/97/00/561799700.db2.gz VIKGOSVYIHJCQR-ZEQKJWHPSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000026575948 561799697 /nfs/dbraw/zinc/79/96/97/561799697.db2.gz VIKGOSVYIHJCQR-ZEQKJWHPSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000026575948 561799695 /nfs/dbraw/zinc/79/96/95/561799695.db2.gz VIKGOSVYIHJCQR-ZEQKJWHPSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@H]1CN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000026575949 561799646 /nfs/dbraw/zinc/79/96/46/561799646.db2.gz VIKGOSVYIHJCQR-JYFHCDHNSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@H]1CN(C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000026575949 561799645 /nfs/dbraw/zinc/79/96/45/561799645.db2.gz VIKGOSVYIHJCQR-JYFHCDHNSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000026575949 561799644 /nfs/dbraw/zinc/79/96/44/561799644.db2.gz VIKGOSVYIHJCQR-JYFHCDHNSA-N 1 2 507.642 3.774 1 0 KHAFLO C[C@H]1C[N@H+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000026575949 561799643 /nfs/dbraw/zinc/79/96/43/561799643.db2.gz VIKGOSVYIHJCQR-JYFHCDHNSA-N 1 2 507.642 3.774 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(N5CCCCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026576598 561800435 /nfs/dbraw/zinc/80/04/35/561800435.db2.gz XXALZQWNFIIRIY-UHFFFAOYSA-N 1 2 725.276 3.621 1 0 KHAFLO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCN(C(=O)CCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026577668 561802192 /nfs/dbraw/zinc/80/21/92/561802192.db2.gz ZPNOJRBBOYXYIY-UHFFFAOYSA-N 1 2 660.237 3.990 1 0 KHAFLO CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4cc(-c5ccc(Cl)cc5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026578937 561803960 /nfs/dbraw/zinc/80/39/60/561803960.db2.gz FJLMQECSTZXMIG-QFIPXVFZSA-N 1 2 527.984 3.918 1 0 KHAFLO COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000026580261 561805720 /nfs/dbraw/zinc/80/57/20/561805720.db2.gz POGQLWFFAXIAJJ-UHFFFAOYSA-N 1 2 612.627 3.550 1 0 KHAFLO CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4cc(/C=C/c5ccccc5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026580262 561805815 /nfs/dbraw/zinc/80/58/15/561805815.db2.gz BTAAFQVESJYBDU-NJFIGMEYSA-N 1 2 519.577 3.768 1 0 KHAFLO CCC[C@H]([NH3+])C(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000026580325 561805716 /nfs/dbraw/zinc/80/57/16/561805716.db2.gz RHCZUNJQRAUXEM-LJNRZNKNSA-N 1 2 640.730 3.863 1 0 KHAFLO O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1)c1ccc(O)cc1 ZINC000026639545 561806363 /nfs/dbraw/zinc/80/63/63/561806363.db2.gz ZAJQYUWPDCAPGD-JYFHCDHNSA-N 1 2 556.571 3.601 1 0 KHAFLO CCOC(=O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026643966 561807231 /nfs/dbraw/zinc/80/72/31/561807231.db2.gz GSPUMOVYWXISBB-HHHXNRCGSA-N 1 2 595.704 3.819 1 0 KHAFLO CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4cc(-c5ccc(C)cc5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026647142 561807661 /nfs/dbraw/zinc/80/76/61/561807661.db2.gz IUYFHSROOFIMPQ-QHCPKHFHSA-N 1 2 507.566 3.573 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666766 561811453 /nfs/dbraw/zinc/81/14/53/561811453.db2.gz YAVCJFGXZDADDF-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666766 561811451 /nfs/dbraw/zinc/81/14/51/561811451.db2.gz YAVCJFGXZDADDF-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666766 561811449 /nfs/dbraw/zinc/81/14/49/561811449.db2.gz YAVCJFGXZDADDF-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666766 561811447 /nfs/dbraw/zinc/81/14/47/561811447.db2.gz YAVCJFGXZDADDF-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026668974 561811887 /nfs/dbraw/zinc/81/18/87/561811887.db2.gz AWXAHWJTZBZGDD-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026668974 561811885 /nfs/dbraw/zinc/81/18/85/561811885.db2.gz AWXAHWJTZBZGDD-ZQOZVIGDSA-N 1 2 698.728 3.691 1 0 KHAFLO CCOC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669458 561812008 /nfs/dbraw/zinc/81/20/08/561812008.db2.gz PNKQRYWWLVUNQN-DZUOILHNSA-N 1 2 673.877 3.685 1 0 KHAFLO CCOC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669458 561812007 /nfs/dbraw/zinc/81/20/07/561812007.db2.gz PNKQRYWWLVUNQN-DZUOILHNSA-N 1 2 673.877 3.685 1 0 KHAFLO C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NCC(N)=O)CC1 ZINC000026674954 561813785 /nfs/dbraw/zinc/81/37/85/561813785.db2.gz IMCAITGUEUZPNQ-SFHVURJKSA-N 1 2 509.622 3.890 1 0 KHAFLO C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NCC(N)=O)CC1 ZINC000026674954 561813784 /nfs/dbraw/zinc/81/37/84/561813784.db2.gz IMCAITGUEUZPNQ-SFHVURJKSA-N 1 2 509.622 3.890 1 0 KHAFLO C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CC(=O)NCC(N)=O)CC1 ZINC000026674956 561813753 /nfs/dbraw/zinc/81/37/53/561813753.db2.gz IMCAITGUEUZPNQ-GOSISDBHSA-N 1 2 509.622 3.890 1 0 KHAFLO C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](CC(=O)NCC(N)=O)CC1 ZINC000026674956 561813751 /nfs/dbraw/zinc/81/37/51/561813751.db2.gz IMCAITGUEUZPNQ-GOSISDBHSA-N 1 2 509.622 3.890 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1 ZINC000026675204 561813885 /nfs/dbraw/zinc/81/38/85/561813885.db2.gz IJKDEJYTYFVZEY-YRCZKMHPSA-N 1 2 735.952 3.834 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1 ZINC000026675204 561813882 /nfs/dbraw/zinc/81/38/82/561813882.db2.gz IJKDEJYTYFVZEY-YRCZKMHPSA-N 1 2 735.952 3.834 1 0 KHAFLO CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000026720668 561815083 /nfs/dbraw/zinc/81/50/83/561815083.db2.gz FNYQDTGFSCTEML-LSOHEVAPSA-N 1 2 695.927 3.714 1 0 KHAFLO CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000026720668 561815081 /nfs/dbraw/zinc/81/50/81/561815081.db2.gz FNYQDTGFSCTEML-LSOHEVAPSA-N 1 2 695.927 3.714 1 0 KHAFLO CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026725212 561815777 /nfs/dbraw/zinc/81/57/77/561815777.db2.gz ZYXJGWBYPOHODT-KWCHKHDGSA-N 1 2 641.922 3.557 1 0 KHAFLO CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026725212 561815776 /nfs/dbraw/zinc/81/57/76/561815776.db2.gz ZYXJGWBYPOHODT-KWCHKHDGSA-N 1 2 641.922 3.557 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCc3ccccc3)sc2C1 ZINC000026738397 561817764 /nfs/dbraw/zinc/81/77/64/561817764.db2.gz HLKFOKYRDAMWPA-AREMUKBSSA-N 1 2 624.188 3.769 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(=O)NCc3ccccc3)sc2C1 ZINC000026738397 561817763 /nfs/dbraw/zinc/81/77/63/561817763.db2.gz HLKFOKYRDAMWPA-AREMUKBSSA-N 1 2 624.188 3.769 1 0 KHAFLO COc1ccccc1N1CC[NH+](C[C@@H](COc2cc(OC)c(OC)c(OC)c2)OC(=O)c2cccnc2)CC1 ZINC000026744236 561818537 /nfs/dbraw/zinc/81/85/37/561818537.db2.gz XXFQKEXOPFSMIC-QHCPKHFHSA-N 1 2 537.613 3.543 1 0 KHAFLO COc1ccccc1N1CC[NH+](C[C@H](COc2cc(OC)c(OC)c(OC)c2)OC(=O)c2cccnc2)CC1 ZINC000026744241 561818516 /nfs/dbraw/zinc/81/85/16/561818516.db2.gz XXFQKEXOPFSMIC-HSZRJFAPSA-N 1 2 537.613 3.543 1 0 KHAFLO O=C(NCCc1c[nH]c2ccccc12)c1nccnc1C(=O)N(CCC[NH+]1CCOCC1)CCc1c[nH]c2ccccc12 ZINC000026744544 561818650 /nfs/dbraw/zinc/81/86/50/561818650.db2.gz YFWYRNSGSCZDSI-UHFFFAOYSA-N 1 2 579.705 3.819 1 0 KHAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CC(=O)NCc1ccccc1 ZINC000026836034 561824367 /nfs/dbraw/zinc/82/43/67/561824367.db2.gz RNBNABRBLMLESP-DPWMVYLFSA-N 1 2 721.924 3.635 1 0 KHAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1 ZINC000026850813 561827320 /nfs/dbraw/zinc/82/73/20/561827320.db2.gz RNBNABRBLMLESP-AVVHONGESA-N 1 2 721.924 3.635 1 0 KHAFLO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC000026948337 561828674 /nfs/dbraw/zinc/82/86/74/561828674.db2.gz SIACRXQYNXAQRF-SXLOSVNLSA-N 1 2 719.843 3.952 1 0 KHAFLO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC000026948337 561828673 /nfs/dbraw/zinc/82/86/73/561828673.db2.gz SIACRXQYNXAQRF-SXLOSVNLSA-N 1 2 719.843 3.952 1 0 KHAFLO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC000026948349 561828666 /nfs/dbraw/zinc/82/86/66/561828666.db2.gz SIACRXQYNXAQRF-WKNISULPSA-N 1 2 719.843 3.952 1 0 KHAFLO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC000026948349 561828663 /nfs/dbraw/zinc/82/86/63/561828663.db2.gz SIACRXQYNXAQRF-WKNISULPSA-N 1 2 719.843 3.952 1 0 KHAFLO CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CC[NH+](C)CC3)c1Cl)S2(=O)=O ZINC000026961501 561829637 /nfs/dbraw/zinc/82/96/37/561829637.db2.gz YBUQJYOUPTTZHR-UHFFFAOYSA-N 1 2 526.442 3.685 1 0 KHAFLO CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCC[NH+]3CCOCC3)c(Cl)c1)S2(=O)=O ZINC000026966936 561830089 /nfs/dbraw/zinc/83/00/89/561830089.db2.gz UEMIDZYBPBAFBL-UHFFFAOYSA-N 1 2 557.452 3.787 1 0 KHAFLO CSc1ncccc1C[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000026994056 561832999 /nfs/dbraw/zinc/83/29/99/561832999.db2.gz SUVMGYUHKSTITP-PXQQMZJSSA-N 1 2 659.897 3.589 1 0 KHAFLO CSc1ncccc1C[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000026994056 561832998 /nfs/dbraw/zinc/83/29/98/561832998.db2.gz SUVMGYUHKSTITP-PXQQMZJSSA-N 1 2 659.897 3.589 1 0 KHAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CC[N@@H+](Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000027072791 561833765 /nfs/dbraw/zinc/83/37/65/561833765.db2.gz KQOVSEYTSQWNCB-CEWIDEQNSA-N 1 2 730.184 3.867 1 0 KHAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CC[N@H+](Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000027072791 561833763 /nfs/dbraw/zinc/83/37/63/561833763.db2.gz KQOVSEYTSQWNCB-CEWIDEQNSA-N 1 2 730.184 3.867 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027075567 561834060 /nfs/dbraw/zinc/83/40/60/561834060.db2.gz KEZWGZKGBARAAS-CSPLBRPISA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027075567 561834059 /nfs/dbraw/zinc/83/40/59/561834059.db2.gz KEZWGZKGBARAAS-CSPLBRPISA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081569 561835134 /nfs/dbraw/zinc/83/51/34/561835134.db2.gz APYLHGQERCKLFK-JMGLEEQKSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081569 561835133 /nfs/dbraw/zinc/83/51/33/561835133.db2.gz APYLHGQERCKLFK-JMGLEEQKSA-N 1 2 653.824 3.613 1 0 KHAFLO Cc1nn(C)c2ncc(CN3CC[N@@H+](C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000027091484 561837273 /nfs/dbraw/zinc/83/72/73/561837273.db2.gz ACHQUDJPGNODSX-PSCZUITBSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(CN3CC[N@H+](C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000027091484 561837271 /nfs/dbraw/zinc/83/72/71/561837271.db2.gz ACHQUDJPGNODSX-PSCZUITBSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000027091484 561837268 /nfs/dbraw/zinc/83/72/68/561837268.db2.gz ACHQUDJPGNODSX-PSCZUITBSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000027091484 561837267 /nfs/dbraw/zinc/83/72/67/561837267.db2.gz ACHQUDJPGNODSX-PSCZUITBSA-N 1 2 716.327 3.715 1 0 KHAFLO CCOC(=O)CCN(c1ncc(-c2ccc(C(N)=NC(=O)OCC)cc2)s1)C1CC[NH+](CC(=O)OCC)CC1 ZINC000027095916 561838006 /nfs/dbraw/zinc/83/80/06/561838006.db2.gz UWGFMPBTVIRWLP-UHFFFAOYSA-N 1 2 559.689 3.669 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027100629 561838694 /nfs/dbraw/zinc/83/86/94/561838694.db2.gz MXIJGNJMISLFIE-OUHNBOTBSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027100629 561838692 /nfs/dbraw/zinc/83/86/92/561838692.db2.gz MXIJGNJMISLFIE-OUHNBOTBSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027100629 561838689 /nfs/dbraw/zinc/83/86/89/561838689.db2.gz MXIJGNJMISLFIE-OUHNBOTBSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027100629 561838687 /nfs/dbraw/zinc/83/86/87/561838687.db2.gz MXIJGNJMISLFIE-OUHNBOTBSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1 ZINC000027101762 561838795 /nfs/dbraw/zinc/83/87/95/561838795.db2.gz XAWWSXOSEQDVHQ-KRCBVYEFSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1 ZINC000027101762 561838793 /nfs/dbraw/zinc/83/87/93/561838793.db2.gz XAWWSXOSEQDVHQ-KRCBVYEFSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)COc1ccccn1 ZINC000027101768 561838827 /nfs/dbraw/zinc/83/88/27/561838827.db2.gz XAWWSXOSEQDVHQ-RYTSNQFKSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)COc1ccccn1 ZINC000027101768 561838825 /nfs/dbraw/zinc/83/88/25/561838825.db2.gz XAWWSXOSEQDVHQ-RYTSNQFKSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)COc1ccccn1 ZINC000027101772 561838944 /nfs/dbraw/zinc/83/89/44/561838944.db2.gz XAWWSXOSEQDVHQ-GCXHJFECSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)COc1ccccn1 ZINC000027101772 561838942 /nfs/dbraw/zinc/83/89/42/561838942.db2.gz XAWWSXOSEQDVHQ-GCXHJFECSA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)COc1ccccn1 ZINC000027101777 561838970 /nfs/dbraw/zinc/83/89/70/561838970.db2.gz XAWWSXOSEQDVHQ-IBHPWDLASA-N 1 2 648.805 3.863 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)COc1ccccn1 ZINC000027101777 561838968 /nfs/dbraw/zinc/83/89/68/561838968.db2.gz XAWWSXOSEQDVHQ-IBHPWDLASA-N 1 2 648.805 3.863 1 0 KHAFLO O=C(N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1 ZINC000027105052 561839837 /nfs/dbraw/zinc/83/98/37/561839837.db2.gz SGVVJMWXKIYERU-YDPTYEFTSA-N 1 2 692.883 3.911 1 0 KHAFLO O=C(N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1 ZINC000027105052 561839835 /nfs/dbraw/zinc/83/98/35/561839835.db2.gz SGVVJMWXKIYERU-YDPTYEFTSA-N 1 2 692.883 3.911 1 0 KHAFLO Cc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027105309 561839873 /nfs/dbraw/zinc/83/98/73/561839873.db2.gz LJFQDXVIKAJAEV-YIRKGERQSA-N 1 2 736.936 3.621 1 0 KHAFLO Cc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027105309 561839871 /nfs/dbraw/zinc/83/98/71/561839871.db2.gz LJFQDXVIKAJAEV-YIRKGERQSA-N 1 2 736.936 3.621 1 0 KHAFLO Cc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027105309 561839869 /nfs/dbraw/zinc/83/98/69/561839869.db2.gz LJFQDXVIKAJAEV-YIRKGERQSA-N 1 2 736.936 3.621 1 0 KHAFLO Cc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027105309 561839867 /nfs/dbraw/zinc/83/98/67/561839867.db2.gz LJFQDXVIKAJAEV-YIRKGERQSA-N 1 2 736.936 3.621 1 0 KHAFLO CC(C)OC(=O)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105477 561839825 /nfs/dbraw/zinc/83/98/25/561839825.db2.gz OONGXWDAIDMVFM-GIFPIDKJSA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105477 561839824 /nfs/dbraw/zinc/83/98/24/561839824.db2.gz OONGXWDAIDMVFM-GIFPIDKJSA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105481 561839935 /nfs/dbraw/zinc/83/99/35/561839935.db2.gz OONGXWDAIDMVFM-VVZGZWEYSA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105481 561839933 /nfs/dbraw/zinc/83/99/33/561839933.db2.gz OONGXWDAIDMVFM-VVZGZWEYSA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105484 561839984 /nfs/dbraw/zinc/83/99/84/561839984.db2.gz OONGXWDAIDMVFM-XFTNXAEASA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105484 561839982 /nfs/dbraw/zinc/83/99/82/561839982.db2.gz OONGXWDAIDMVFM-XFTNXAEASA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105487 561840015 /nfs/dbraw/zinc/84/00/15/561840015.db2.gz OONGXWDAIDMVFM-DZUOILHNSA-N 1 2 641.810 3.731 1 0 KHAFLO CC(C)OC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027105487 561840013 /nfs/dbraw/zinc/84/00/13/561840013.db2.gz OONGXWDAIDMVFM-DZUOILHNSA-N 1 2 641.810 3.731 1 0 KHAFLO CCOCCN(CCOCC)CC(=O)Nc1nc2cc3nc(NC(=O)C[NH+](CCOCC)CCOCC)sc3cc2s1 ZINC000027110048 561841332 /nfs/dbraw/zinc/84/13/32/561841332.db2.gz ZJKHJLAHNZHKSH-UHFFFAOYSA-N 1 2 624.830 3.533 1 0 KHAFLO CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3O)c(F)c(OC3CC[NH+](CC(=O)[O-])CC3)c2F)c1 ZINC000027110078 561841354 /nfs/dbraw/zinc/84/13/54/561841354.db2.gz CYUIADSAPKIADJ-UHFFFAOYSA-N 1 2 585.564 3.564 1 0 KHAFLO Cc1cc(OCC[NH+]2CCOCC2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000027186924 561842823 /nfs/dbraw/zinc/84/28/23/561842823.db2.gz BYTZBKNKZPDFHC-MIXMEULCSA-N 1 2 731.887 3.971 1 0 KHAFLO Cc1cc(OCC[NH+]2CCOCC2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000027186932 561842798 /nfs/dbraw/zinc/84/27/98/561842798.db2.gz BYTZBKNKZPDFHC-KSKUBQKQSA-N 1 2 731.887 3.971 1 0 KHAFLO Cc1cc(OCC[NH+]2CCOCC2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12 ZINC000027186938 561842868 /nfs/dbraw/zinc/84/28/68/561842868.db2.gz BYTZBKNKZPDFHC-XLCZDMCESA-N 1 2 731.887 3.971 1 0 KHAFLO Cc1cc(OCC[NH+]2CCOCC2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000027186945 561842838 /nfs/dbraw/zinc/84/28/38/561842838.db2.gz BYTZBKNKZPDFHC-OOOWAVGOSA-N 1 2 731.887 3.971 1 0 KHAFLO Cc1cc[nH+]c(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000027193452 561843881 /nfs/dbraw/zinc/84/38/81/561843881.db2.gz XXLDFDUIHGJBJI-JORACGAPSA-N 1 2 603.716 3.655 1 0 KHAFLO Cc1cc[nH+]c(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000027193458 561843891 /nfs/dbraw/zinc/84/38/91/561843891.db2.gz XXLDFDUIHGJBJI-LVOWORRGSA-N 1 2 603.716 3.655 1 0 KHAFLO Cc1cc[nH+]c(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12 ZINC000027193463 561843848 /nfs/dbraw/zinc/84/38/48/561843848.db2.gz XXLDFDUIHGJBJI-HLYNNXGTSA-N 1 2 603.716 3.655 1 0 KHAFLO Cc1cc[nH+]c(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000027193469 561843833 /nfs/dbraw/zinc/84/38/33/561843833.db2.gz XXLDFDUIHGJBJI-FXPBITCFSA-N 1 2 603.716 3.655 1 0 KHAFLO CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1 ZINC000027196734 561844360 /nfs/dbraw/zinc/84/43/60/561844360.db2.gz RNBNABRBLMLESP-QLPPAWOZSA-N 1 2 721.924 3.635 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000027206427 561846119 /nfs/dbraw/zinc/84/61/19/561846119.db2.gz FSPMPGPDTBXDDA-RPLLCQBOSA-N 1 2 543.668 3.996 1 0 KHAFLO CCOC(=O)NC(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027215461 561848257 /nfs/dbraw/zinc/84/82/57/561848257.db2.gz OQOVXSRTDCGOBU-VSGBNLITSA-N 1 2 633.149 3.709 1 0 KHAFLO COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OCC[NH+]1CCOCC1 ZINC000027215795 561848426 /nfs/dbraw/zinc/84/84/26/561848426.db2.gz SMTGPWYIMAZLPQ-UHFFFAOYSA-N 1 2 594.713 3.507 1 0 KHAFLO Cc1c2ccccc2oc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027305112 561849494 /nfs/dbraw/zinc/84/94/94/561849494.db2.gz LIBMUEXZRDULDC-UHFFFAOYSA-N 1 2 611.703 3.990 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nsc(Cl)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027306499 561849800 /nfs/dbraw/zinc/84/98/00/561849800.db2.gz ZODRCAXZRUKQLT-UHFFFAOYSA-N 1 2 633.562 3.699 1 0 KHAFLO CCCCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)n(C)c3)n(C)c2)nc1 ZINC000027306861 561849755 /nfs/dbraw/zinc/84/97/55/561849755.db2.gz NNBXDNKGOREQPD-UHFFFAOYSA-N 1 2 614.751 3.673 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027306932 561849750 /nfs/dbraw/zinc/84/97/50/561849750.db2.gz BHAOVQZPHHFHMY-UHFFFAOYSA-N 1 2 592.100 3.589 1 0 KHAFLO CSc1ccsc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027306938 561849774 /nfs/dbraw/zinc/84/97/74/561849774.db2.gz VKPLQYDQZDXWGW-UHFFFAOYSA-N 1 2 609.778 3.719 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(OC(F)F)cc4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027307647 561849875 /nfs/dbraw/zinc/84/98/75/561849875.db2.gz RKSOOELWAQYFJW-UHFFFAOYSA-N 1 2 623.661 3.537 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027307727 561850077 /nfs/dbraw/zinc/85/00/77/561850077.db2.gz RJUMLLOLJXPKIX-UHFFFAOYSA-N 1 2 592.100 3.589 1 0 KHAFLO COc1cc(Cl)ccc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027307964 561850047 /nfs/dbraw/zinc/85/00/47/561850047.db2.gz SPARRVNLTHLHNS-UHFFFAOYSA-N 1 2 622.126 3.598 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308164 561850050 /nfs/dbraw/zinc/85/00/50/561850050.db2.gz SRHAHXLYOJHQCI-UHFFFAOYSA-N 1 2 641.651 3.834 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308170 561850012 /nfs/dbraw/zinc/85/00/12/561850012.db2.gz QSRCZMBOUYHHKQ-UHFFFAOYSA-N 1 2 610.090 3.728 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5cc6c(cc5s4)OCO6)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308253 561850001 /nfs/dbraw/zinc/85/00/01/561850001.db2.gz XUNGACAFCAVDMG-UHFFFAOYSA-N 1 2 657.753 3.879 1 0 KHAFLO CC(C)S(=O)(=O)c1csc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)n(C)c3)n(C)c2)c1Cl ZINC000027308272 561849993 /nfs/dbraw/zinc/84/99/93/561849993.db2.gz SPHPNFOAHDNTSR-UHFFFAOYSA-N 1 2 704.275 3.833 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cccc(Cl)c4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308340 561850235 /nfs/dbraw/zinc/85/02/35/561850235.db2.gz VOXJTPFBZGDKOA-UHFFFAOYSA-N 1 2 592.100 3.589 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sccc4Br)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308737 561850269 /nfs/dbraw/zinc/85/02/69/561850269.db2.gz CQKZAOBEGHLREB-UHFFFAOYSA-N 1 2 642.580 3.760 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)cc4F)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308960 561850350 /nfs/dbraw/zinc/85/03/50/561850350.db2.gz CRPKIIITBKQQIJ-UHFFFAOYSA-N 1 2 610.090 3.728 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027309283 561850381 /nfs/dbraw/zinc/85/03/81/561850381.db2.gz SBDICZBANQFXSD-UHFFFAOYSA-N 1 2 598.129 3.651 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(Cl)s4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027310022 561850508 /nfs/dbraw/zinc/85/05/08/561850508.db2.gz BNIIRCKEWQYPGW-UHFFFAOYSA-N 1 2 598.129 3.651 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nsc5ccccc54)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027310468 561850631 /nfs/dbraw/zinc/85/06/31/561850631.db2.gz ZZKLKQJWXLZCIJ-UHFFFAOYSA-N 1 2 614.732 3.545 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5ccccc5o4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027311659 561850822 /nfs/dbraw/zinc/85/08/22/561850822.db2.gz DIWCPSAHOGOCJL-UHFFFAOYSA-N 1 2 597.676 3.682 1 0 KHAFLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027315284 561851487 /nfs/dbraw/zinc/85/14/87/561851487.db2.gz VQHADWSLWDMKIU-NUJSINJASA-N 1 2 524.731 3.584 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)c1c[nH+]c[nH]1)C2 ZINC000027318316 561852056 /nfs/dbraw/zinc/85/20/56/561852056.db2.gz RWWVMSRMQBBNKT-WSKPFNCBSA-N 1 2 616.850 3.549 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)c1c[nH]c[nH+]1)C2 ZINC000027318316 561852055 /nfs/dbraw/zinc/85/20/55/561852055.db2.gz RWWVMSRMQBBNKT-WSKPFNCBSA-N 1 2 616.850 3.549 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)c1c[nH+]c[nH]1)C2 ZINC000027318327 561852046 /nfs/dbraw/zinc/85/20/46/561852046.db2.gz RWWVMSRMQBBNKT-GTHNRUEPSA-N 1 2 616.850 3.549 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)c1c[nH]c[nH+]1)C2 ZINC000027318327 561852045 /nfs/dbraw/zinc/85/20/45/561852045.db2.gz RWWVMSRMQBBNKT-GTHNRUEPSA-N 1 2 616.850 3.549 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]c[nH+]1)C2 ZINC000027319357 561852357 /nfs/dbraw/zinc/85/23/57/561852357.db2.gz VOAPNCFXGPNKGC-NUJSINJASA-N 1 2 539.746 3.756 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH+]c[nH]1)C2 ZINC000027319357 561852355 /nfs/dbraw/zinc/85/23/55/561852355.db2.gz VOAPNCFXGPNKGC-NUJSINJASA-N 1 2 539.746 3.756 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC000027319645 561852404 /nfs/dbraw/zinc/85/24/04/561852404.db2.gz CCXMZTSJGNBYIC-ZXDNMGRFSA-N 1 2 510.704 3.504 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC000027320398 561852392 /nfs/dbraw/zinc/85/23/92/561852392.db2.gz TWTORTJARQLAII-OBZNHSRCSA-N 1 2 524.731 3.894 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC000027320403 561852571 /nfs/dbraw/zinc/85/25/71/561852571.db2.gz LHYVGMICRQIVJI-NUJSINJASA-N 1 2 524.731 3.963 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC000027320403 561852570 /nfs/dbraw/zinc/85/25/70/561852570.db2.gz LHYVGMICRQIVJI-NUJSINJASA-N 1 2 524.731 3.963 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]c[nH+]3)C1=O)C2 ZINC000027320442 561852600 /nfs/dbraw/zinc/85/26/00/561852600.db2.gz ORUIMDPDDQOBCV-YDIMZXDKSA-N 1 2 565.740 3.679 1 0 KHAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH+]c[nH]3)C1=O)C2 ZINC000027320442 561852599 /nfs/dbraw/zinc/85/25/99/561852599.db2.gz ORUIMDPDDQOBCV-YDIMZXDKSA-N 1 2 565.740 3.679 1 0 KHAFLO COC(=O)CCN(C(=O)Cc1cn(C)c[nH+]1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027321199 561852728 /nfs/dbraw/zinc/85/27/28/561852728.db2.gz QXGOFOWWBUNTSX-CEQYTIJJSA-N 1 2 610.821 3.859 1 0 KHAFLO CC[NH+](CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027322353 561852799 /nfs/dbraw/zinc/85/27/99/561852799.db2.gz RJVJCZBVIWJDJU-MQPGQAEESA-N 1 2 621.910 3.752 1 0 KHAFLO CC[NH+](CC)[C@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027322360 561852824 /nfs/dbraw/zinc/85/28/24/561852824.db2.gz RJVJCZBVIWJDJU-WJHMBHGISA-N 1 2 621.910 3.752 1 0 KHAFLO Cn1c[nH+]c(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 ZINC000027323564 561853161 /nfs/dbraw/zinc/85/31/61/561853161.db2.gz PFIPCRNFBIQXNW-NUJSINJASA-N 1 2 524.731 3.584 1 0 KHAFLO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)N1CCN(c3cc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC1)O2 ZINC000027518104 561861839 /nfs/dbraw/zinc/86/18/39/561861839.db2.gz UONZCFWNPCUTQJ-JGCGQSQUSA-N 1 2 576.742 3.960 1 0 KHAFLO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)N1CCN(c3cc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC1)O2 ZINC000027518104 561861838 /nfs/dbraw/zinc/86/18/38/561861838.db2.gz UONZCFWNPCUTQJ-JGCGQSQUSA-N 1 2 576.742 3.960 1 0 KHAFLO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)N1CCN(c3cc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC1)O2 ZINC000027518105 561861826 /nfs/dbraw/zinc/86/18/26/561861826.db2.gz UONZCFWNPCUTQJ-YTTGMZPUSA-N 1 2 576.742 3.960 1 0 KHAFLO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)N1CCN(c3cc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC1)O2 ZINC000027518105 561861825 /nfs/dbraw/zinc/86/18/25/561861825.db2.gz UONZCFWNPCUTQJ-YTTGMZPUSA-N 1 2 576.742 3.960 1 0 KHAFLO Cc1nc2nc[nH]c2c(SC[C@@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000027518990 561862802 /nfs/dbraw/zinc/86/28/02/561862802.db2.gz AQMWJYWTMBWFBE-QFIPXVFZSA-N 1 2 510.614 3.800 1 0 KHAFLO Cc1nc2[nH]cnc2c(SC[C@@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000027518990 561862800 /nfs/dbraw/zinc/86/28/00/561862800.db2.gz AQMWJYWTMBWFBE-QFIPXVFZSA-N 1 2 510.614 3.800 1 0 KHAFLO Cc1nc2nc[nH]c2c(SC[C@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000027518991 561862791 /nfs/dbraw/zinc/86/27/91/561862791.db2.gz AQMWJYWTMBWFBE-JOCHJYFZSA-N 1 2 510.614 3.800 1 0 KHAFLO Cc1nc2[nH]cnc2c(SC[C@H](O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000027518991 561862789 /nfs/dbraw/zinc/86/27/89/561862789.db2.gz AQMWJYWTMBWFBE-JOCHJYFZSA-N 1 2 510.614 3.800 1 0 KHAFLO CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[C@@H](C)CC[NH+]2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000027521342 561864060 /nfs/dbraw/zinc/86/40/60/561864060.db2.gz BLLFPRAZTBIUIE-MRLUPLGUSA-N 1 2 688.735 3.881 1 0 KHAFLO CC(C)[C@H](NC(=O)c1ccc(C(=O)[C@@H](C)CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000027521344 561864048 /nfs/dbraw/zinc/86/40/48/561864048.db2.gz BLLFPRAZTBIUIE-PZYJALBSSA-N 1 2 688.735 3.881 1 0 KHAFLO CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[C@H](C)CC[NH+]2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000027521346 561864015 /nfs/dbraw/zinc/86/40/15/561864015.db2.gz BLLFPRAZTBIUIE-DMKHAHDWSA-N 1 2 688.735 3.881 1 0 KHAFLO CC(C)[C@H](NC(=O)c1ccc(C(=O)[C@H](C)CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000027521349 561864000 /nfs/dbraw/zinc/86/40/00/561864000.db2.gz BLLFPRAZTBIUIE-NDEVUPSOSA-N 1 2 688.735 3.881 1 0 KHAFLO COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000027521719 561864198 /nfs/dbraw/zinc/86/41/98/561864198.db2.gz YMGBXCMGDZOIRM-OAJQQGRKSA-N 1 2 645.738 3.614 1 0 KHAFLO COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000027521719 561864196 /nfs/dbraw/zinc/86/41/96/561864196.db2.gz YMGBXCMGDZOIRM-OAJQQGRKSA-N 1 2 645.738 3.614 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCN(C(=O)c2ccc(N)c(I)c2)c2ccccn2)CC1 ZINC000027523130 561864898 /nfs/dbraw/zinc/86/48/98/561864898.db2.gz VYDQZPNGCJJVEQ-UHFFFAOYSA-N 1 2 557.436 3.746 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCn1cc[nH+]c1)Cc1ccccc1 ZINC000027524082 561865441 /nfs/dbraw/zinc/86/54/41/561865441.db2.gz QDOFCNCIJARXPK-AJISXOSTSA-N 1 2 694.943 3.998 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1 ZINC000027524911 561865887 /nfs/dbraw/zinc/86/58/87/561865887.db2.gz HAEMUQLHGYOSRB-ZHODSEKVSA-N 1 2 688.914 3.936 1 0 KHAFLO 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/nfs/dbraw/zinc/86/86/64/561868664.db2.gz PMAOFOOIOIEZEQ-AREMUKBSSA-N 1 2 608.644 3.562 1 0 KHAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027553482 561868649 /nfs/dbraw/zinc/86/86/49/561868649.db2.gz PQCMYGIPHHYBHN-UHFFFAOYSA-N 1 2 590.681 3.852 1 0 KHAFLO COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[NH+](Cc5ccc(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027554238 561869021 /nfs/dbraw/zinc/86/90/21/561869021.db2.gz OCXWBTXCSDYGER-MHZLTWQESA-N 1 2 578.618 3.553 1 0 KHAFLO COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[NH+](Cc5ccc(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027554240 561869012 /nfs/dbraw/zinc/86/90/12/561869012.db2.gz OCXWBTXCSDYGER-HHHXNRCGSA-N 1 2 578.618 3.553 1 0 KHAFLO COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[NH+](Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554242 561868989 /nfs/dbraw/zinc/86/89/89/561868989.db2.gz YRZQWEOITKESSL-MHZLTWQESA-N 1 2 578.618 3.553 1 0 KHAFLO COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[NH+](Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554244 561869015 /nfs/dbraw/zinc/86/90/15/561869015.db2.gz YRZQWEOITKESSL-HHHXNRCGSA-N 1 2 578.618 3.553 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027559710 561870452 /nfs/dbraw/zinc/87/04/52/561870452.db2.gz ZDYXVGHQTJOFIF-HILCBEGXSA-N 1 2 666.238 3.659 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027559710 561870450 /nfs/dbraw/zinc/87/04/50/561870450.db2.gz ZDYXVGHQTJOFIF-HILCBEGXSA-N 1 2 666.238 3.659 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027559710 561870448 /nfs/dbraw/zinc/87/04/48/561870448.db2.gz ZDYXVGHQTJOFIF-HILCBEGXSA-N 1 2 666.238 3.659 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027559710 561870446 /nfs/dbraw/zinc/87/04/46/561870446.db2.gz ZDYXVGHQTJOFIF-HILCBEGXSA-N 1 2 666.238 3.659 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O ZINC000027561903 561870923 /nfs/dbraw/zinc/87/09/23/561870923.db2.gz GQDJPSWQTCKMEM-GUKBDPGMSA-N 1 2 637.841 3.734 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O ZINC000027561903 561870921 /nfs/dbraw/zinc/87/09/21/561870921.db2.gz GQDJPSWQTCKMEM-GUKBDPGMSA-N 1 2 637.841 3.734 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561906 561870914 /nfs/dbraw/zinc/87/09/14/561870914.db2.gz BLPNSHAUZOUQOW-PXQQMZJSSA-N 1 2 619.851 3.595 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561906 561870913 /nfs/dbraw/zinc/87/09/13/561870913.db2.gz BLPNSHAUZOUQOW-PXQQMZJSSA-N 1 2 619.851 3.595 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561972 561870883 /nfs/dbraw/zinc/87/08/83/561870883.db2.gz AXTIAEHLYSXLLZ-WZXFIOQESA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561972 561870880 /nfs/dbraw/zinc/87/08/80/561870880.db2.gz AXTIAEHLYSXLLZ-WZXFIOQESA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561974 561870893 /nfs/dbraw/zinc/87/08/93/561870893.db2.gz AUWNLGCUIINJDZ-NGKSUJSQSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561974 561870891 /nfs/dbraw/zinc/87/08/91/561870891.db2.gz AUWNLGCUIINJDZ-NGKSUJSQSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027564137 561871645 /nfs/dbraw/zinc/87/16/45/561871645.db2.gz FOSMLMWGKOFPIO-GUKBDPGMSA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027564137 561871643 /nfs/dbraw/zinc/87/16/43/561871643.db2.gz FOSMLMWGKOFPIO-GUKBDPGMSA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027564137 561871641 /nfs/dbraw/zinc/87/16/41/561871641.db2.gz FOSMLMWGKOFPIO-GUKBDPGMSA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027564137 561871639 /nfs/dbraw/zinc/87/16/39/561871639.db2.gz FOSMLMWGKOFPIO-GUKBDPGMSA-N 1 2 648.248 3.520 1 0 KHAFLO O=C1CC[C@](CC[NH+]2CC(N3CCS(=O)(=O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027622320 561872656 /nfs/dbraw/zinc/87/26/56/561872656.db2.gz HIJZDNMAHNZBTQ-HHHXNRCGSA-N 1 2 550.552 3.859 1 0 KHAFLO O=C1CC[C@@](CC[NH+]2CC(N3CCS(=O)(=O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027622325 561872622 /nfs/dbraw/zinc/87/26/22/561872622.db2.gz HIJZDNMAHNZBTQ-MHZLTWQESA-N 1 2 550.552 3.859 1 0 KHAFLO COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)OC ZINC000027623337 561872810 /nfs/dbraw/zinc/87/28/10/561872810.db2.gz FXFRHJXUUMKFPI-DZUOILHNSA-N 1 2 661.781 3.903 1 0 KHAFLO COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)OC ZINC000027623337 561872807 /nfs/dbraw/zinc/87/28/07/561872807.db2.gz FXFRHJXUUMKFPI-DZUOILHNSA-N 1 2 661.781 3.903 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C ZINC000027623401 561872818 /nfs/dbraw/zinc/87/28/18/561872818.db2.gz HOMIXIGBHXBJNJ-CQJMVLFOSA-N 1 2 589.803 3.606 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C ZINC000027623401 561872816 /nfs/dbraw/zinc/87/28/16/561872816.db2.gz HOMIXIGBHXBJNJ-CQJMVLFOSA-N 1 2 589.803 3.606 1 0 KHAFLO CC(C)SC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027626554 561873213 /nfs/dbraw/zinc/87/32/13/561873213.db2.gz NARACRGITAVYAY-DZUOILHNSA-N 1 2 623.820 3.803 1 0 KHAFLO CC(C)SC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027626554 561873212 /nfs/dbraw/zinc/87/32/12/561873212.db2.gz NARACRGITAVYAY-DZUOILHNSA-N 1 2 623.820 3.803 1 0 KHAFLO COP(=O)(C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000027627368 561873441 /nfs/dbraw/zinc/87/34/41/561873441.db2.gz DOVBDVGFLOFMTQ-LAJGZZDBSA-N 1 2 663.753 3.875 1 0 KHAFLO COP(=O)(C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000027627368 561873440 /nfs/dbraw/zinc/87/34/40/561873440.db2.gz DOVBDVGFLOFMTQ-LAJGZZDBSA-N 1 2 663.753 3.875 1 0 KHAFLO CC(C)S(=O)(=O)N1CCN(c2nc(N(C)CCCc3ccc(Cl)cc3)nc(NCCc3ccc(O)cc3)[nH+]2)CC1 ZINC000027627902 561873423 /nfs/dbraw/zinc/87/34/23/561873423.db2.gz CFVFVUZJSMVOEC-UHFFFAOYSA-N 1 2 588.178 3.814 1 0 KHAFLO CC(C)S(=O)(=O)N1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(N(C)CCCc3ccc(Cl)cc3)n2)CC1 ZINC000027627902 561873421 /nfs/dbraw/zinc/87/34/21/561873421.db2.gz CFVFVUZJSMVOEC-UHFFFAOYSA-N 1 2 588.178 3.814 1 0 KHAFLO CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)[nH+]c(N2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC000027635136 561874312 /nfs/dbraw/zinc/87/43/12/561874312.db2.gz NIZYIFRLPAIPRM-UHFFFAOYSA-N 1 2 595.148 3.528 1 0 KHAFLO CN(CCCc1ccc(Cl)cc1)c1nc(N2CCN(C(=O)N3CCOCC3)CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000027635136 561874310 /nfs/dbraw/zinc/87/43/10/561874310.db2.gz NIZYIFRLPAIPRM-UHFFFAOYSA-N 1 2 595.148 3.528 1 0 KHAFLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)C)cc1)CC2 ZINC000027656105 561877586 /nfs/dbraw/zinc/87/75/86/561877586.db2.gz HXDKNCXTAFTXBT-UHFFFAOYSA-N 1 2 502.615 3.810 1 0 KHAFLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)C)cc1)CC2 ZINC000027656105 561877585 /nfs/dbraw/zinc/87/75/85/561877585.db2.gz HXDKNCXTAFTXBT-UHFFFAOYSA-N 1 2 502.615 3.810 1 0 KHAFLO NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000027710729 561879561 /nfs/dbraw/zinc/87/95/61/561879561.db2.gz GYUUSNAHFIDITG-FQLXRVMXSA-N 1 2 543.627 3.616 1 0 KHAFLO NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000027710729 561879560 /nfs/dbraw/zinc/87/95/60/561879560.db2.gz GYUUSNAHFIDITG-FQLXRVMXSA-N 1 2 543.627 3.616 1 0 KHAFLO COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)CCC(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)C[NH3+])cc1 ZINC000027722910 561880793 /nfs/dbraw/zinc/88/07/93/561880793.db2.gz CMUOZLZRAHPTCD-ZEQRLZLVSA-N 1 2 551.675 3.736 1 0 KHAFLO NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000027724698 561880843 /nfs/dbraw/zinc/88/08/43/561880843.db2.gz WKOOZIADFKFDPQ-KAYWLYCHSA-N 1 2 559.626 3.741 1 0 KHAFLO NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000027724698 561880842 /nfs/dbraw/zinc/88/08/42/561880842.db2.gz WKOOZIADFKFDPQ-KAYWLYCHSA-N 1 2 559.626 3.741 1 0 KHAFLO CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C[NH3+] ZINC000027732623 561881477 /nfs/dbraw/zinc/88/14/77/561881477.db2.gz QNZBFRKAECKBST-GSDHBNRESA-N 1 2 594.744 3.672 1 0 KHAFLO COC(=O)CC(=O)N(Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027848134 561885676 /nfs/dbraw/zinc/88/56/76/561885676.db2.gz LPHUHRBYJJRLLM-MUUNZHRXSA-N 1 2 611.743 3.618 1 0 KHAFLO COC(=O)CC(=O)N(Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027848142 561885686 /nfs/dbraw/zinc/88/56/86/561885686.db2.gz LPHUHRBYJJRLLM-NDEPHWFRSA-N 1 2 611.743 3.618 1 0 KHAFLO COc1ccccc1CN(C=O)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027853054 561886179 /nfs/dbraw/zinc/88/61/79/561886179.db2.gz CUZLMXOITHIQRF-HHHXNRCGSA-N 1 2 539.680 3.685 1 0 KHAFLO COc1ccccc1CN(C=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027853062 561886173 /nfs/dbraw/zinc/88/61/73/561886173.db2.gz CUZLMXOITHIQRF-MHZLTWQESA-N 1 2 539.680 3.685 1 0 KHAFLO CNC(=O)N(Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027860927 561887062 /nfs/dbraw/zinc/88/70/62/561887062.db2.gz VAGKBJKZOUYTSH-HHHXNRCGSA-N 1 2 568.722 3.868 1 0 KHAFLO CNC(=O)N(Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027860934 561886994 /nfs/dbraw/zinc/88/69/94/561886994.db2.gz VAGKBJKZOUYTSH-MHZLTWQESA-N 1 2 568.722 3.868 1 0 KHAFLO COC(=O)CN(Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027863469 561887452 /nfs/dbraw/zinc/88/74/52/561887452.db2.gz GMYFUYINKONEKD-MUUNZHRXSA-N 1 2 583.733 3.701 1 0 KHAFLO COC(=O)CN(Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000027863478 561887398 /nfs/dbraw/zinc/88/73/98/561887398.db2.gz GMYFUYINKONEKD-NDEPHWFRSA-N 1 2 583.733 3.701 1 0 KHAFLO COc1ccccc1CN(C[C@@H](C[C@@H]1CNc2ccccc21)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864728 561887549 /nfs/dbraw/zinc/88/75/49/561887549.db2.gz KPWGWOUZQUTRKD-VSGBNLITSA-N 1 2 555.723 3.950 1 0 KHAFLO COc1ccccc1CN(C[C@H](C[C@@H]1CNc2ccccc21)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864737 561887545 /nfs/dbraw/zinc/88/75/45/561887545.db2.gz KPWGWOUZQUTRKD-IZLXSDGUSA-N 1 2 555.723 3.950 1 0 KHAFLO COc1ccccc1CN(C[C@@H](C[C@H]1CNc2ccccc21)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864744 561887541 /nfs/dbraw/zinc/88/75/41/561887541.db2.gz KPWGWOUZQUTRKD-WUFINQPMSA-N 1 2 555.723 3.950 1 0 KHAFLO COc1ccccc1CN(C[C@H](C[C@H]1CNc2ccccc21)NC(=O)C[NH+]1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864753 561887578 /nfs/dbraw/zinc/88/75/78/561887578.db2.gz KPWGWOUZQUTRKD-NSOVKSMOSA-N 1 2 555.723 3.950 1 0 KHAFLO CCCCS(=O)(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027870888 561888259 /nfs/dbraw/zinc/88/82/59/561888259.db2.gz KZMRHIFWGDQBBK-PKTZIBPZSA-N 1 2 591.796 3.910 1 0 KHAFLO CCCCS(=O)(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027870888 561888258 /nfs/dbraw/zinc/88/82/58/561888258.db2.gz KZMRHIFWGDQBBK-PKTZIBPZSA-N 1 2 591.796 3.910 1 0 KHAFLO CCCS(=O)(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027875328 561888555 /nfs/dbraw/zinc/88/85/55/561888555.db2.gz PSJSZNPHBFFAHS-YADHBBJMSA-N 1 2 577.769 3.519 1 0 KHAFLO CCCS(=O)(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027875328 561888553 /nfs/dbraw/zinc/88/85/53/561888553.db2.gz PSJSZNPHBFFAHS-YADHBBJMSA-N 1 2 577.769 3.519 1 0 KHAFLO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000027987478 561892478 /nfs/dbraw/zinc/89/24/78/561892478.db2.gz UUKXLPQDWBBMQE-UHFFFAOYSA-N 1 2 521.639 3.799 1 0 KHAFLO O=C(CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NCC[NH+]1CCOCC1 ZINC000027987736 561892485 /nfs/dbraw/zinc/89/24/85/561892485.db2.gz LZLAWIZBRZSTHY-QHCPKHFHSA-N 1 2 553.531 3.503 1 0 KHAFLO O=C(CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)NCC[NH+]1CCOCC1 ZINC000027987744 561892488 /nfs/dbraw/zinc/89/24/88/561892488.db2.gz LZLAWIZBRZSTHY-HSZRJFAPSA-N 1 2 553.531 3.503 1 0 KHAFLO CCNC(=O)N1CCC(CC(=O)N2CC[NH+]([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027992604 561893342 /nfs/dbraw/zinc/89/33/42/561893342.db2.gz HJTHHRRMQVGWEY-HHHXNRCGSA-N 1 2 510.082 3.899 1 0 KHAFLO CCNC(=O)N1CCC(CC(=O)N2CC[NH+]([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027992610 561893296 /nfs/dbraw/zinc/89/32/96/561893296.db2.gz HJTHHRRMQVGWEY-MHZLTWQESA-N 1 2 510.082 3.899 1 0 KHAFLO CC[C@@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000027999602 561894429 /nfs/dbraw/zinc/89/44/29/561894429.db2.gz SBLDAZIMWDKEMA-KLLDHOPQSA-N 1 2 666.864 3.646 1 0 KHAFLO CC[C@@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000027999602 561894428 /nfs/dbraw/zinc/89/44/28/561894428.db2.gz SBLDAZIMWDKEMA-KLLDHOPQSA-N 1 2 666.864 3.646 1 0 KHAFLO CC[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000028001958 561894821 /nfs/dbraw/zinc/89/48/21/561894821.db2.gz SBLDAZIMWDKEMA-HPMAGDRPSA-N 1 2 666.864 3.646 1 0 KHAFLO CC[C@H]1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1C ZINC000028001958 561894819 /nfs/dbraw/zinc/89/48/19/561894819.db2.gz SBLDAZIMWDKEMA-HPMAGDRPSA-N 1 2 666.864 3.646 1 0 KHAFLO CN1C(=O)[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1(C)C ZINC000028002047 561894837 /nfs/dbraw/zinc/89/48/37/561894837.db2.gz RPMSJAUJPZIRMH-IIZANFQQSA-N 1 2 666.864 3.646 1 0 KHAFLO CN1C(=O)[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1(C)C ZINC000028002047 561894835 /nfs/dbraw/zinc/89/48/35/561894835.db2.gz RPMSJAUJPZIRMH-IIZANFQQSA-N 1 2 666.864 3.646 1 0 KHAFLO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC000028002846 561895014 /nfs/dbraw/zinc/89/50/14/561895014.db2.gz BZNQQPUBAAHLPN-UIOOFZCWSA-N 1 2 523.674 3.595 1 0 KHAFLO CCCS(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 ZINC000028004809 561895360 /nfs/dbraw/zinc/89/53/60/561895360.db2.gz HARVPZILEROGQA-UHFFFAOYSA-N 1 2 536.716 3.575 1 0 KHAFLO CNC(=S)N1CCC(CC(=O)N2CC[NH+]([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005171 561895342 /nfs/dbraw/zinc/89/53/42/561895342.db2.gz DWNMYUCZZQVJBE-AREMUKBSSA-N 1 2 512.123 3.674 1 0 KHAFLO CNC(=S)N1CCC(CC(=O)N2CC[NH+]([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005174 561895357 /nfs/dbraw/zinc/89/53/57/561895357.db2.gz DWNMYUCZZQVJBE-SANMLTNESA-N 1 2 512.123 3.674 1 0 KHAFLO CN1CCCC[C@@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011226 561896411 /nfs/dbraw/zinc/89/64/11/561896411.db2.gz NFXWMRPSLAAALF-STVCLKQXSA-N 1 2 666.864 3.648 1 0 KHAFLO CN1CCCC[C@@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011226 561896409 /nfs/dbraw/zinc/89/64/09/561896409.db2.gz NFXWMRPSLAAALF-STVCLKQXSA-N 1 2 666.864 3.648 1 0 KHAFLO CN1CCCC[C@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011231 561896389 /nfs/dbraw/zinc/89/63/89/561896389.db2.gz NFXWMRPSLAAALF-MOUVJORGSA-N 1 2 666.864 3.648 1 0 KHAFLO CN1CCCC[C@H]([C@@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000028011231 561896387 /nfs/dbraw/zinc/89/63/87/561896387.db2.gz NFXWMRPSLAAALF-MOUVJORGSA-N 1 2 666.864 3.648 1 0 KHAFLO Cc1nc2cnccc2n1C[NH+]1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 ZINC000028092120 561900111 /nfs/dbraw/zinc/90/01/11/561900111.db2.gz ZUWVHCOUMRXECJ-UHFFFAOYSA-N 1 2 575.670 3.994 1 0 KHAFLO CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1 ZINC000028100354 561901557 /nfs/dbraw/zinc/90/15/57/561901557.db2.gz VODBRVLHQSOGQG-BKHJTQGXSA-N 1 2 585.705 3.651 1 0 KHAFLO CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1 ZINC000028100354 561901556 /nfs/dbraw/zinc/90/15/56/561901556.db2.gz VODBRVLHQSOGQG-BKHJTQGXSA-N 1 2 585.705 3.651 1 0 KHAFLO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1Cl)N(C)[C@@H]2c1ccccc1Cl ZINC000028103269 561901968 /nfs/dbraw/zinc/90/19/68/561901968.db2.gz PBLCUJUZEZUWNJ-OUYJLQGDSA-N 1 2 505.398 3.555 1 0 KHAFLO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1Cl)N(C)[C@@H]2c1ccccc1Cl ZINC000028103269 561901967 /nfs/dbraw/zinc/90/19/67/561901967.db2.gz PBLCUJUZEZUWNJ-OUYJLQGDSA-N 1 2 505.398 3.555 1 0 KHAFLO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028115859 561903820 /nfs/dbraw/zinc/90/38/20/561903820.db2.gz CTEOPWRYKGOSFE-JQMXGAKRSA-N 1 2 680.894 3.539 1 0 in-vivo KHAFLO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028115859 561903818 /nfs/dbraw/zinc/90/38/18/561903818.db2.gz CTEOPWRYKGOSFE-JQMXGAKRSA-N 1 2 680.894 3.539 1 0 in-vivo KHAFLO CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1C[NH+]1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000028117339 561903949 /nfs/dbraw/zinc/90/39/49/561903949.db2.gz LLFVSLMMRPXQFK-FPHSVDBKSA-N 1 2 535.685 3.951 1 0 KHAFLO CC(C)CCC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232321 561909394 /nfs/dbraw/zinc/90/93/94/561909394.db2.gz HCEFMLJRSYXOBV-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO CC(C)CCC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232321 561909393 /nfs/dbraw/zinc/90/93/93/561909393.db2.gz HCEFMLJRSYXOBV-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO CC(C)CC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028233180 561909323 /nfs/dbraw/zinc/90/93/23/561909323.db2.gz IKKOPELNEKNAMF-KRCBVYEFSA-N 1 2 654.853 3.551 1 0 KHAFLO CC(C)CC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028233180 561909322 /nfs/dbraw/zinc/90/93/22/561909322.db2.gz IKKOPELNEKNAMF-KRCBVYEFSA-N 1 2 654.853 3.551 1 0 KHAFLO CC(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238548 561910061 /nfs/dbraw/zinc/91/00/61/561910061.db2.gz VJUHOPKKAGBOIO-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO CC(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238548 561910059 /nfs/dbraw/zinc/91/00/59/561910059.db2.gz VJUHOPKKAGBOIO-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO COC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)[NH2+]1)c1ccccc1 ZINC000028249965 561910988 /nfs/dbraw/zinc/91/09/88/561910988.db2.gz PDMKPQSMCLJPGW-GPUOULLFSA-N 1 2 515.566 3.525 1 0 KHAFLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)[NH2+]1 ZINC000028249972 561910956 /nfs/dbraw/zinc/91/09/56/561910956.db2.gz BCOUSJIONPLFAF-PNIUZAESSA-N 1 2 568.630 3.876 1 0 KHAFLO Cn1cc(NC(=O)c2sccc2Cl)cc1-c1nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2[nH]1 ZINC000028252160 561911090 /nfs/dbraw/zinc/91/10/90/561911090.db2.gz AKIORQTYFYJTAS-UHFFFAOYSA-N 1 2 513.023 3.598 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(F)cc2F)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCC[NH+]4CCOCC4)ccc3[nH]2)n(C)c1 ZINC000028252213 561911142 /nfs/dbraw/zinc/91/11/42/561911142.db2.gz ZGIKSLPALAJLDZ-UHFFFAOYSA-N 1 2 630.656 3.752 1 0 KHAFLO Cn1cc(NC(=O)c2ccc(Cl)cc2F)cc1-c1nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2[nH]1 ZINC000028252348 561911148 /nfs/dbraw/zinc/91/11/48/561911148.db2.gz GKCPBAWZGSTXEO-UHFFFAOYSA-N 1 2 524.984 3.675 1 0 KHAFLO COC(=O)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)[NH2+]1)c1ccccc1 ZINC000028253206 561911124 /nfs/dbraw/zinc/91/11/24/561911124.db2.gz PDMKPQSMCLJPGW-FTBPSBKWSA-N 1 2 515.566 3.525 1 0 KHAFLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)[NH2+]1 ZINC000028253211 561911114 /nfs/dbraw/zinc/91/11/14/561911114.db2.gz BCOUSJIONPLFAF-BXTSTYNKSA-N 1 2 568.630 3.876 1 0 KHAFLO Cn1cc(NC(=O)c2cc3cc4c(cc3s2)OCO4)cc1-c1nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2[nH]1 ZINC000028253970 561911308 /nfs/dbraw/zinc/91/13/08/561911308.db2.gz AXAFLJOXIUJWFM-UHFFFAOYSA-N 1 2 572.647 3.826 1 0 KHAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1 ZINC000028258018 561911931 /nfs/dbraw/zinc/91/19/31/561911931.db2.gz SJTYUWYMRLXRKL-UHFFFAOYSA-N 1 2 572.691 3.713 1 0 KHAFLO CCOC(=O)c1sc(Nc2nc3c(c(N4CC[NH+](C)CC4)n2)CCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000028336674 561913421 /nfs/dbraw/zinc/91/34/21/561913421.db2.gz QDDUTSNRPWHNAI-UHFFFAOYSA-N 1 2 597.742 3.892 1 0 KHAFLO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(O)cc3c(=O)n2N2CC[NH+](C)CC2)c(OC)c1 ZINC000028370303 561918181 /nfs/dbraw/zinc/91/81/81/561918181.db2.gz CFQMUIKAPZTTKQ-IBGZPJMESA-N 1 2 576.629 3.942 1 0 KHAFLO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(O)cc3c(=O)n2N2CC[NH+](C)CC2)c(OC)c1 ZINC000028370309 561918162 /nfs/dbraw/zinc/91/81/62/561918162.db2.gz CFQMUIKAPZTTKQ-LJQANCHMSA-N 1 2 576.629 3.942 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cnccc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028370349 561918145 /nfs/dbraw/zinc/91/81/45/561918145.db2.gz GJWKFGIHQDNREM-IBGZPJMESA-N 1 2 531.592 3.622 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cnccc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028370356 561918234 /nfs/dbraw/zinc/91/82/34/561918234.db2.gz GJWKFGIHQDNREM-LJQANCHMSA-N 1 2 531.592 3.622 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(NS(C)(=O)=O)cc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028372662 561918622 /nfs/dbraw/zinc/91/86/22/561918622.db2.gz NALRXQYBBBETRP-FQEVSTJZSA-N 1 2 623.711 3.599 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(NS(C)(=O)=O)cc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028372669 561918673 /nfs/dbraw/zinc/91/86/73/561918673.db2.gz NALRXQYBBBETRP-HXUWFJFHSA-N 1 2 623.711 3.599 1 0 KHAFLO COc1ccc(N([C@@H](C)c2nc3ccccc3c(=O)n2N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000028379041 561919818 /nfs/dbraw/zinc/91/98/18/561919818.db2.gz XKBUCROMOZRSOL-FQEVSTJZSA-N 1 2 598.125 3.907 1 0 KHAFLO COc1ccc(N([C@H](C)c2nc3ccccc3c(=O)n2N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000028379048 561919815 /nfs/dbraw/zinc/91/98/15/561919815.db2.gz XKBUCROMOZRSOL-HXUWFJFHSA-N 1 2 598.125 3.907 1 0 KHAFLO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000028383717 561920679 /nfs/dbraw/zinc/92/06/79/561920679.db2.gz ATOBZBFTPJRCNY-IERDGZPVSA-N 1 2 549.696 3.623 1 0 KHAFLO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)CN1CC[NH+](CCO)CC1 ZINC000028385377 561920981 /nfs/dbraw/zinc/92/09/81/561920981.db2.gz BWPCUHINXKFNEZ-QGZVFWFLSA-N 1 2 558.022 3.636 1 0 KHAFLO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)CN1CC[NH+](CCO)CC1 ZINC000028385383 561920973 /nfs/dbraw/zinc/92/09/73/561920973.db2.gz BWPCUHINXKFNEZ-KRWDZBQOSA-N 1 2 558.022 3.636 1 0 KHAFLO COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCC[NH+]1CCOCC1 ZINC000028386385 561921080 /nfs/dbraw/zinc/92/10/80/561921080.db2.gz PCKQYQGEALHHPW-UHFFFAOYSA-N 1 2 599.692 3.885 1 0 KHAFLO O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O)N1CC[NH+](CCOCCO)CC1 ZINC000028386888 561921214 /nfs/dbraw/zinc/92/12/14/561921214.db2.gz CIVBTEWGCSNGJT-UHFFFAOYSA-N 1 2 586.032 3.818 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ncccc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028387687 561921446 /nfs/dbraw/zinc/92/14/46/561921446.db2.gz LNKNCLHWZHQBQM-IBGZPJMESA-N 1 2 531.592 3.622 1 0 KHAFLO COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ncccc3c(=O)n2N2CC[NH+](C)CC2)c1 ZINC000028387692 561921441 /nfs/dbraw/zinc/92/14/41/561921441.db2.gz LNKNCLHWZHQBQM-LJQANCHMSA-N 1 2 531.592 3.622 1 0 KHAFLO O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O)N1CC[NH+](CCO)CC1 ZINC000028389314 561921931 /nfs/dbraw/zinc/92/19/31/561921931.db2.gz NBDUZABHGHTCOT-UHFFFAOYSA-N 1 2 541.979 3.802 1 0 KHAFLO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cccc(F)c3c(=O)n2N2CC[NH+](C)CC2)c(OC)n1 ZINC000028391205 561922272 /nfs/dbraw/zinc/92/22/72/561922272.db2.gz LPEXBWYMOSSROT-SFHVURJKSA-N 1 2 579.608 3.770 1 0 KHAFLO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cccc(F)c3c(=O)n2N2CC[NH+](C)CC2)c(OC)n1 ZINC000028391211 561922269 /nfs/dbraw/zinc/92/22/69/561922269.db2.gz LPEXBWYMOSSROT-GOSISDBHSA-N 1 2 579.608 3.770 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4nnc(-c5ccc(Cl)cc5)o4)CC3)ccc2s1 ZINC000028394396 561922816 /nfs/dbraw/zinc/92/28/16/561922816.db2.gz YAFKHHYOOIBEMK-LJQANCHMSA-N 1 2 500.024 3.866 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4nc(-c5ccc(Cl)cc5)no4)CC3)ccc2s1 ZINC000028398334 561923412 /nfs/dbraw/zinc/92/34/12/561923412.db2.gz DUZBAUSDDBCXPG-LJQANCHMSA-N 1 2 500.024 3.866 1 0 KHAFLO C[C@H](Cc1c[nH]c2c1cccc2OCC(=O)N(C)C)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000028457394 561924197 /nfs/dbraw/zinc/92/41/97/561924197.db2.gz IZAYFWKVBBNBFP-JPYJTQIMSA-N 1 2 556.710 3.751 1 0 KHAFLO Nc1cc2c(=O)c(C(=O)[O-])cn(C3CC[NH+](Cc4ccccc4)CC3)c2cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000028463142 561925653 /nfs/dbraw/zinc/92/56/53/561925653.db2.gz PVLFUNJTOWCOOK-UHFFFAOYSA-N 1 2 538.652 3.841 1 0 KHAFLO Cc1cc(COc2ccc(C3(N4CC[NH+](CCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028476041 561928192 /nfs/dbraw/zinc/92/81/92/561928192.db2.gz OCBYWAVDKLDIDI-UHFFFAOYSA-N 1 2 563.658 3.544 1 0 KHAFLO CC(C)N(C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(C)CC[NH2+]2)CC1)C(C)C ZINC000028520613 561928924 /nfs/dbraw/zinc/92/89/24/561928924.db2.gz HZZLHJKIQLUQGF-WDYNHAJCSA-N 1 2 585.809 3.591 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1 ZINC000028525569 561931328 /nfs/dbraw/zinc/93/13/28/561931328.db2.gz QJCBDDQZSODRSU-NDEPHWFRSA-N 1 2 575.706 3.810 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3c(c2)N(CCO)CCC3)cc1 ZINC000028525570 561931352 /nfs/dbraw/zinc/93/13/52/561931352.db2.gz QJCBDDQZSODRSU-MUUNZHRXSA-N 1 2 575.706 3.810 1 0 KHAFLO CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028529007 561933602 /nfs/dbraw/zinc/93/36/02/561933602.db2.gz JKJRNMWCKRTZJU-KRCBVYEFSA-N 1 2 675.893 3.602 1 0 KHAFLO CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028529007 561933599 /nfs/dbraw/zinc/93/35/99/561933599.db2.gz JKJRNMWCKRTZJU-KRCBVYEFSA-N 1 2 675.893 3.602 1 0 KHAFLO COc1ccc(Cl)c(Nc2ncnc3cc(OCC[NH+]4CCN(C(C)=O)CC4)cc(OC(C)C)c32)n1 ZINC000028530271 561934661 /nfs/dbraw/zinc/93/46/61/561934661.db2.gz GEPQBTPKIOBUQF-UHFFFAOYSA-N 1 2 515.014 3.761 1 0 KHAFLO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)o1 ZINC000028568606 561937437 /nfs/dbraw/zinc/93/74/37/561937437.db2.gz LTAXYBWNTNCTIU-UHFFFAOYSA-N 1 2 536.564 3.791 1 0 KHAFLO CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CC[NH+](Cc5ccc(OC)cc5)CC4)cc3o2)ccc1OC ZINC000028703024 561947564 /nfs/dbraw/zinc/94/75/64/561947564.db2.gz QRLKAYFRZABNIG-UHFFFAOYSA-N 1 2 632.666 3.848 1 0 KHAFLO O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000028711683 561952212 /nfs/dbraw/zinc/95/22/12/561952212.db2.gz AEOVOIWFGWYZOP-MUUNZHRXSA-N 1 2 652.821 3.922 1 0 KHAFLO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000028712792 561953273 /nfs/dbraw/zinc/95/32/73/561953273.db2.gz ASLPVBDUFMXHDG-NSOVKSMOSA-N 1 2 580.645 3.517 1 0 KHAFLO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000028712792 561953271 /nfs/dbraw/zinc/95/32/71/561953271.db2.gz ASLPVBDUFMXHDG-NSOVKSMOSA-N 1 2 580.645 3.517 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1 ZINC000028713019 561953476 /nfs/dbraw/zinc/95/34/76/561953476.db2.gz XBTUOBOFUUFKHT-NDEPHWFRSA-N 1 2 536.558 3.658 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1 ZINC000028713020 561953485 /nfs/dbraw/zinc/95/34/85/561953485.db2.gz XBTUOBOFUUFKHT-MUUNZHRXSA-N 1 2 536.558 3.658 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1F ZINC000028713021 561953505 /nfs/dbraw/zinc/95/35/05/561953505.db2.gz SQQNQXGZOGLOFH-NDEPHWFRSA-N 1 2 554.548 3.797 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1F ZINC000028713022 561953629 /nfs/dbraw/zinc/95/36/29/561953629.db2.gz SQQNQXGZOGLOFH-MUUNZHRXSA-N 1 2 554.548 3.797 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(F)cc1 ZINC000028713023 561953559 /nfs/dbraw/zinc/95/35/59/561953559.db2.gz XKUORPARXILWBO-NDEPHWFRSA-N 1 2 554.548 3.797 1 0 KHAFLO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(F)cc1 ZINC000028713024 561953601 /nfs/dbraw/zinc/95/36/01/561953601.db2.gz XKUORPARXILWBO-MUUNZHRXSA-N 1 2 554.548 3.797 1 0 KHAFLO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713037 561953660 /nfs/dbraw/zinc/95/36/60/561953660.db2.gz XZZJCHLRFIZYEL-GDLZYMKVSA-N 1 2 550.585 3.966 1 0 KHAFLO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713038 561953617 /nfs/dbraw/zinc/95/36/17/561953617.db2.gz XZZJCHLRFIZYEL-LJAQVGFWSA-N 1 2 550.585 3.966 1 0 KHAFLO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713039 561953625 /nfs/dbraw/zinc/95/36/25/561953625.db2.gz LTMQQUJIBIVANI-GDLZYMKVSA-N 1 2 550.585 3.966 1 0 KHAFLO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713040 561953546 /nfs/dbraw/zinc/95/35/46/561953546.db2.gz LTMQQUJIBIVANI-LJAQVGFWSA-N 1 2 550.585 3.966 1 0 KHAFLO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713041 561953594 /nfs/dbraw/zinc/95/35/94/561953594.db2.gz QYTOZEYJVKISBY-GDLZYMKVSA-N 1 2 550.585 3.966 1 0 KHAFLO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713042 561953598 /nfs/dbraw/zinc/95/35/98/561953598.db2.gz QYTOZEYJVKISBY-LJAQVGFWSA-N 1 2 550.585 3.966 1 0 KHAFLO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713061 561953756 /nfs/dbraw/zinc/95/37/56/561953756.db2.gz PMVHHSILRGWIGT-GDLZYMKVSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000028713062 561953744 /nfs/dbraw/zinc/95/37/44/561953744.db2.gz PMVHHSILRGWIGT-LJAQVGFWSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713063 561953715 /nfs/dbraw/zinc/95/37/15/561953715.db2.gz RXCOMQLQKWOEQX-GDLZYMKVSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000028713064 561953773 /nfs/dbraw/zinc/95/37/73/561953773.db2.gz RXCOMQLQKWOEQX-LJAQVGFWSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713065 561953750 /nfs/dbraw/zinc/95/37/50/561953750.db2.gz RZVBVJVPEGIFMQ-GDLZYMKVSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713066 561953762 /nfs/dbraw/zinc/95/37/62/561953762.db2.gz RZVBVJVPEGIFMQ-LJAQVGFWSA-N 1 2 566.584 3.666 1 0 KHAFLO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000028713069 561953758 /nfs/dbraw/zinc/95/37/58/561953758.db2.gz NFEBQBDNQGGMGV-SSEXGKCCSA-N 1 2 596.610 3.675 1 0 KHAFLO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000028713070 561953764 /nfs/dbraw/zinc/95/37/64/561953764.db2.gz NFEBQBDNQGGMGV-PMERELPUSA-N 1 2 596.610 3.675 1 0 KHAFLO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc(OC)c1OC ZINC000028713071 561953748 /nfs/dbraw/zinc/95/37/48/561953748.db2.gz PZXDYABWCJKZBD-WJOKGBTCSA-N 1 2 626.636 3.684 1 0 KHAFLO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc(OC)c1OC ZINC000028713072 561953728 /nfs/dbraw/zinc/95/37/28/561953728.db2.gz PZXDYABWCJKZBD-HKBQPEDESA-N 1 2 626.636 3.684 1 0 KHAFLO CCc1[nH+]c2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755043 561955345 /nfs/dbraw/zinc/95/53/45/561955345.db2.gz GIRBOQWXCXMIRR-UHFFFAOYSA-N 1 2 561.650 3.909 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)c(OC)c(OC)c2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028756450 561956274 /nfs/dbraw/zinc/95/62/74/561956274.db2.gz RCSADZPNCVZCNG-UHFFFAOYSA-N 1 2 647.519 3.849 1 0 KHAFLO COC(=O)c1c(/C=C/c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000028757414 561956872 /nfs/dbraw/zinc/95/68/72/561956872.db2.gz DUJJMBYYIUKDMO-BQYQJAHWSA-N 1 2 594.661 3.590 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2ccccc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028757560 561956853 /nfs/dbraw/zinc/95/68/53/561956853.db2.gz MXBSWGKISRITCX-UHFFFAOYSA-N 1 2 557.441 3.823 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028757660 561956982 /nfs/dbraw/zinc/95/69/82/561956982.db2.gz LPTCICTXERJMHE-UHFFFAOYSA-N 1 2 617.493 3.840 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](C)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000028757928 561957104 /nfs/dbraw/zinc/95/71/04/561957104.db2.gz BMEXNPQYJSJSBS-UHFFFAOYSA-N 1 2 538.597 3.724 1 0 KHAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)ccc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028758040 561957129 /nfs/dbraw/zinc/95/71/29/561957129.db2.gz ZCTOSHHKKFOARN-UHFFFAOYSA-N 1 2 587.467 3.832 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763631 561958837 /nfs/dbraw/zinc/95/88/37/561958837.db2.gz YKGFCXAVGLYHPE-RRWAUBOMSA-N 1 2 689.902 3.823 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763631 561958836 /nfs/dbraw/zinc/95/88/36/561958836.db2.gz YKGFCXAVGLYHPE-RRWAUBOMSA-N 1 2 689.902 3.823 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763635 561958830 /nfs/dbraw/zinc/95/88/30/561958830.db2.gz YKGFCXAVGLYHPE-BUFBYLGTSA-N 1 2 689.902 3.823 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028763635 561958829 /nfs/dbraw/zinc/95/88/29/561958829.db2.gz YKGFCXAVGLYHPE-BUFBYLGTSA-N 1 2 689.902 3.823 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764086 561958869 /nfs/dbraw/zinc/95/88/69/561958869.db2.gz GKJKDBJJJCYMPS-RRWAUBOMSA-N 1 2 705.901 3.659 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764086 561958867 /nfs/dbraw/zinc/95/88/67/561958867.db2.gz GKJKDBJJJCYMPS-RRWAUBOMSA-N 1 2 705.901 3.659 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764090 561959059 /nfs/dbraw/zinc/95/90/59/561959059.db2.gz GKJKDBJJJCYMPS-BUFBYLGTSA-N 1 2 705.901 3.659 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764090 561959058 /nfs/dbraw/zinc/95/90/58/561959058.db2.gz GKJKDBJJJCYMPS-BUFBYLGTSA-N 1 2 705.901 3.659 1 0 KHAFLO CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)CC1 ZINC000028768097 561960296 /nfs/dbraw/zinc/96/02/96/561960296.db2.gz SUQWLSDRZTXODO-UHFFFAOYSA-N 1 2 507.538 3.561 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816047 561963777 /nfs/dbraw/zinc/96/37/77/561963777.db2.gz WIGSROFBNPFTNQ-MHZLTWQESA-N 1 2 605.765 3.968 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816049 561963708 /nfs/dbraw/zinc/96/37/08/561963708.db2.gz WIGSROFBNPFTNQ-HHHXNRCGSA-N 1 2 605.765 3.968 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCn2cccc2)[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816059 561963752 /nfs/dbraw/zinc/96/37/52/561963752.db2.gz RDDRWIWSAGLLFM-NDEPHWFRSA-N 1 2 555.708 3.945 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCn2cccc2)[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816061 561963756 /nfs/dbraw/zinc/96/37/56/561963756.db2.gz RDDRWIWSAGLLFM-MUUNZHRXSA-N 1 2 555.708 3.945 1 0 KHAFLO Cc1oncc1CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)c[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816066 561963748 /nfs/dbraw/zinc/96/37/48/561963748.db2.gz ZYBRFKWHAMSZTN-MHZLTWQESA-N 1 2 557.680 3.939 1 0 KHAFLO Cc1oncc1CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)c[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816068 561963801 /nfs/dbraw/zinc/96/38/01/561963801.db2.gz ZYBRFKWHAMSZTN-HHHXNRCGSA-N 1 2 557.680 3.939 1 0 KHAFLO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2n1 ZINC000028817471 561964942 /nfs/dbraw/zinc/96/49/42/561964942.db2.gz UJPMBLWNDSWJDX-AWEZNQCLSA-N 1 2 521.002 3.809 1 0 KHAFLO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2n1 ZINC000028817473 561964988 /nfs/dbraw/zinc/96/49/88/561964988.db2.gz UJPMBLWNDSWJDX-CQSZACIVSA-N 1 2 521.002 3.809 1 0 KHAFLO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2n1 ZINC000028817477 561964950 /nfs/dbraw/zinc/96/49/50/561964950.db2.gz KXBSXFWBGDCYLA-AWEZNQCLSA-N 1 2 565.453 3.918 1 0 KHAFLO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2n1 ZINC000028817478 561964990 /nfs/dbraw/zinc/96/49/90/561964990.db2.gz KXBSXFWBGDCYLA-CQSZACIVSA-N 1 2 565.453 3.918 1 0 KHAFLO O=C(C[N@@H+](CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000028818842 561965416 /nfs/dbraw/zinc/96/54/16/561965416.db2.gz AGKVOYQQFKGLNS-UHFFFAOYSA-N 1 2 528.565 3.527 1 0 KHAFLO O=C(C[N@H+](CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000028818842 561965414 /nfs/dbraw/zinc/96/54/14/561965414.db2.gz AGKVOYQQFKGLNS-UHFFFAOYSA-N 1 2 528.565 3.527 1 0 KHAFLO O=C(NCCCN1CCCC1=O)c1c[nH+]ccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc21 ZINC000028822268 561966833 /nfs/dbraw/zinc/96/68/33/561966833.db2.gz GZOYOEIHAGHGFM-UHFFFAOYSA-N 1 2 565.407 3.869 1 0 KHAFLO C[C@H](Nc1nc(-n2cnc3ccncc32)nc2c1cc(C(=O)NCCCn1cc[nH+]c1)n2C)c1ccccc1 ZINC000028822410 561967010 /nfs/dbraw/zinc/96/70/10/561967010.db2.gz GJXKBHVQEUJUGU-IBGZPJMESA-N 1 2 520.601 3.892 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@@H](O)c3nccs3)cc21 ZINC000028822517 561967161 /nfs/dbraw/zinc/96/71/61/561967161.db2.gz MQWPTZNQCAGWBH-LJQANCHMSA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)C[C@@H](O)c3nccs3)cc21 ZINC000028822517 561967159 /nfs/dbraw/zinc/96/71/59/561967159.db2.gz MQWPTZNQCAGWBH-LJQANCHMSA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@H](O)c3nccs3)cc21 ZINC000028822518 561967125 /nfs/dbraw/zinc/96/71/25/561967125.db2.gz MQWPTZNQCAGWBH-IBGZPJMESA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)C[C@H](O)c3nccs3)cc21 ZINC000028822518 561967124 /nfs/dbraw/zinc/96/71/24/561967124.db2.gz MQWPTZNQCAGWBH-IBGZPJMESA-N 1 2 503.049 3.805 1 0 KHAFLO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825203 561970508 /nfs/dbraw/zinc/97/05/08/561970508.db2.gz GYKPMTDZZOZESG-RUZDIDTESA-N 1 2 562.736 3.510 1 0 KHAFLO O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825204 561970463 /nfs/dbraw/zinc/97/04/63/561970463.db2.gz GYKPMTDZZOZESG-VWLOTQADSA-N 1 2 562.736 3.510 1 0 KHAFLO COc1cc2c(cc1OCCCC[NH+]1CCN(C3=NS(=O)(=O)c4ccccc4N3C(C)C)CC1)N=C[C@@H]1CCCN1C2=O ZINC000028826332 561971345 /nfs/dbraw/zinc/97/13/45/561971345.db2.gz LJZAXGTUUPKAJT-QHCPKHFHSA-N 1 2 608.765 3.766 1 0 KHAFLO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@H+](Cc2ccccc2OC)CC3)c1 ZINC000028863528 561972287 /nfs/dbraw/zinc/97/22/87/561972287.db2.gz PEXHHDHUNIQRFK-UHFFFAOYSA-N 1 2 519.548 3.901 1 0 KHAFLO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@@H+](Cc2ccccc2OC)CC3)c1 ZINC000028863528 561972285 /nfs/dbraw/zinc/97/22/85/561972285.db2.gz PEXHHDHUNIQRFK-UHFFFAOYSA-N 1 2 519.548 3.901 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(NC(=O)c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000028863590 561972370 /nfs/dbraw/zinc/97/23/70/561972370.db2.gz BECTZBOQNXUOBC-UHFFFAOYSA-N 1 2 648.724 3.731 1 0 KHAFLO Cn1cc(/C=C/c2ccc3ccccc3n2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCC[NH+]3CCOCC3)n(C)c2)n(C)c1 ZINC000028864888 561973262 /nfs/dbraw/zinc/97/32/62/561973262.db2.gz SGHWSIRJRUGKLY-CSKARUKUSA-N 1 2 634.741 3.987 1 0 KHAFLO Cn1cc(/C=C/c2cnc3ccccc3c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCC[NH+]3CCOCC3)n(C)c2)n(C)c1 ZINC000028864891 561973255 /nfs/dbraw/zinc/97/32/55/561973255.db2.gz ZFEGNATUXMHHOE-CMDGGOBGSA-N 1 2 634.741 3.987 1 0 KHAFLO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)n(C)c3)cn2)cc1 ZINC000028864917 561973186 /nfs/dbraw/zinc/97/31/86/561973186.db2.gz ZQHSYDVYWMBVNR-XBXARRHUSA-N 1 2 611.703 3.504 1 0 KHAFLO O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CC[NH+](CCO)CC1 ZINC000028879760 561976582 /nfs/dbraw/zinc/97/65/82/561976582.db2.gz ZVJWWQYNYFOGEZ-DQEYMECFSA-N 1 2 585.620 3.807 1 0 KHAFLO O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CC[NH+](CCO)CC1 ZINC000028879768 561976522 /nfs/dbraw/zinc/97/65/22/561976522.db2.gz ZVJWWQYNYFOGEZ-LOSJGSFVSA-N 1 2 585.620 3.807 1 0 KHAFLO O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CC[NH+](CCO)CC1 ZINC000028879775 561976541 /nfs/dbraw/zinc/97/65/41/561976541.db2.gz ZVJWWQYNYFOGEZ-RPBOFIJWSA-N 1 2 585.620 3.807 1 0 KHAFLO O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CC[NH+](CCO)CC1 ZINC000028879781 561976538 /nfs/dbraw/zinc/97/65/38/561976538.db2.gz ZVJWWQYNYFOGEZ-JWQCQUIFSA-N 1 2 585.620 3.807 1 0 KHAFLO O=C(NC1CCN(Cc2ccc(OCCC[NH+]3CCOCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884130 561977440 /nfs/dbraw/zinc/97/74/40/561977440.db2.gz ZXTWWNUGBNPVFC-UHFFFAOYSA-N 1 2 541.595 3.567 1 0 KHAFLO O=C(NC1CC[NH+](Cc2ccc(OCCCN3C(=O)CSC3=O)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884168 561977466 /nfs/dbraw/zinc/97/74/66/561977466.db2.gz PXPSNIUEMVGLPF-UHFFFAOYSA-N 1 2 571.602 3.930 1 0 KHAFLO Cc1cc(COc2ccc(C(=O)NCC3(N4CC[NH+](Cc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892628 561978547 /nfs/dbraw/zinc/97/85/47/561978547.db2.gz MXSTVAAIMVPNIF-UHFFFAOYSA-N 1 2 606.683 3.615 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3nccs3)sc21 ZINC000028901619 561980049 /nfs/dbraw/zinc/98/00/49/561980049.db2.gz DWZJDIBKSXNONS-LJQANCHMSA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3nccs3)sc21 ZINC000028901619 561980047 /nfs/dbraw/zinc/98/00/47/561980047.db2.gz DWZJDIBKSXNONS-LJQANCHMSA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3nccs3)sc21 ZINC000028901624 561980092 /nfs/dbraw/zinc/98/00/92/561980092.db2.gz DWZJDIBKSXNONS-IBGZPJMESA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3nccs3)sc21 ZINC000028901624 561980091 /nfs/dbraw/zinc/98/00/91/561980091.db2.gz DWZJDIBKSXNONS-IBGZPJMESA-N 1 2 503.049 3.805 1 0 KHAFLO Cn1cc(-c2c(C3CCCCC3)c3ccc(-c4nc(=O)o[nH]4)cc3n2CC(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000028949697 561980804 /nfs/dbraw/zinc/98/08/04/561980804.db2.gz DVUSUGAVAZOZLY-UHFFFAOYSA-N 1 2 531.661 3.985 1 0 KHAFLO CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O ZINC000028958003 561983436 /nfs/dbraw/zinc/98/34/36/561983436.db2.gz ZOVGRRZNOGLORY-IFMALSPDSA-N 1 2 534.581 3.872 1 0 KHAFLO C[C@H](COC(=O)NCCn1cc[nH+]c1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976090 561986792 /nfs/dbraw/zinc/98/67/92/561986792.db2.gz QHHDMUXGAYEEEM-MRXNPFEDSA-N 1 2 527.430 3.692 1 0 KHAFLO Cc1c(OCC[NH+]2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12 ZINC000029040558 561990652 /nfs/dbraw/zinc/99/06/52/561990652.db2.gz XVHNAGNSEXZDNC-UHFFFAOYSA-N 1 2 522.556 3.987 1 0 KHAFLO Cc1c(OCC[NH+]2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccs4)cc3F)c12 ZINC000029040578 561990646 /nfs/dbraw/zinc/99/06/46/561990646.db2.gz GWJJSPXDFYUKDS-UHFFFAOYSA-N 1 2 510.595 3.909 1 0 KHAFLO Cc1c(OCC[NH+]2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040592 561990684 /nfs/dbraw/zinc/99/06/84/561990684.db2.gz IAVWXGZIULVTLN-UHFFFAOYSA-N 1 2 579.608 3.702 1 0 KHAFLO Cc1c(OCC[NH+]2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040596 561990637 /nfs/dbraw/zinc/99/06/37/561990637.db2.gz QTEFLIXPCHNEHB-UHFFFAOYSA-N 1 2 566.565 3.787 1 0 KHAFLO Cc1c(OCC[NH+]2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000029040604 561990800 /nfs/dbraw/zinc/99/08/00/561990800.db2.gz JGKKVHUMEAYNGF-UHFFFAOYSA-N 1 2 579.608 3.625 1 0 KHAFLO Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(C[NH+]4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041678 561991163 /nfs/dbraw/zinc/99/11/63/561991163.db2.gz IAGBEEXFLABXGI-UHFFFAOYSA-N 1 2 502.575 3.697 1 0 KHAFLO C[C@@H](O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056263 561995072 /nfs/dbraw/zinc/99/50/72/561995072.db2.gz NUOAXTPQTSJDTD-LJQANCHMSA-N 1 2 541.073 3.577 1 0 KHAFLO C[C@H](O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056268 561995106 /nfs/dbraw/zinc/99/51/06/561995106.db2.gz NUOAXTPQTSJDTD-IBGZPJMESA-N 1 2 541.073 3.577 1 0 KHAFLO CC(C)(O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056276 561995099 /nfs/dbraw/zinc/99/50/99/561995099.db2.gz XXDXNARPSRYRHS-UHFFFAOYSA-N 1 2 555.100 3.967 1 0 KHAFLO CCOC(=O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056535 561995095 /nfs/dbraw/zinc/99/50/95/561995095.db2.gz NQBUQHYGUYXRCP-UHFFFAOYSA-N 1 2 569.083 3.759 1 0 KHAFLO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4n[nH]c(=O)[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062353 561996039 /nfs/dbraw/zinc/99/60/39/561996039.db2.gz ZSBHXKLQJNQJOJ-VWLOTQADSA-N 1 2 534.661 3.710 1 0 KHAFLO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4n[nH]c(=O)[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062359 561996019 /nfs/dbraw/zinc/99/60/19/561996019.db2.gz ZSBHXKLQJNQJOJ-RUZDIDTESA-N 1 2 534.661 3.710 1 0 KHAFLO O=C1NC(=O)c2c1c1c3cc(O)c(OCCC[NH+]4CCOCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127029 561999389 /nfs/dbraw/zinc/99/93/89/561999389.db2.gz VSGRXSHIXKUPPN-UHFFFAOYSA-N 1 2 550.011 3.798 1 0 KHAFLO Cn1c2cc(S(=O)(=O)NCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029127502 561999990 /nfs/dbraw/zinc/99/99/90/561999990.db2.gz JTKRSNOIQXOETB-UHFFFAOYSA-N 1 2 553.040 3.615 1 0 KHAFLO Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)nc(N3CCOCC3)[nH+]2)cc1 ZINC000029127729 562000169 /nfs/dbraw/zinc/00/01/69/562000169.db2.gz MEUFXVQREXAIML-UHFFFAOYSA-N 1 2 536.640 3.734 1 0 KHAFLO Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000029127729 562000167 /nfs/dbraw/zinc/00/01/67/562000167.db2.gz MEUFXVQREXAIML-UHFFFAOYSA-N 1 2 536.640 3.734 1 0 KHAFLO Nc1ccccc1NC(=O)c1ccc(CNc2nc(N3CCOCC3)nc(NC3Cc4ccccc4C3)[nH+]2)cc1 ZINC000029127729 562000166 /nfs/dbraw/zinc/00/01/66/562000166.db2.gz MEUFXVQREXAIML-UHFFFAOYSA-N 1 2 536.640 3.734 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128651 562001141 /nfs/dbraw/zinc/00/11/41/562001141.db2.gz HSURSXUYOFVNCD-NQIIRXRSSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128651 562001139 /nfs/dbraw/zinc/00/11/39/562001139.db2.gz HSURSXUYOFVNCD-NQIIRXRSSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128652 562001178 /nfs/dbraw/zinc/00/11/78/562001178.db2.gz HSURSXUYOFVNCD-RXVVDRJESA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128652 562001177 /nfs/dbraw/zinc/00/11/77/562001177.db2.gz HSURSXUYOFVNCD-RXVVDRJESA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128703 562001156 /nfs/dbraw/zinc/00/11/56/562001156.db2.gz QONKHBKJVKMNDU-GHTZIAJQSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128703 562001155 /nfs/dbraw/zinc/00/11/55/562001155.db2.gz QONKHBKJVKMNDU-GHTZIAJQSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128704 562001187 /nfs/dbraw/zinc/00/11/87/562001187.db2.gz QONKHBKJVKMNDU-RXVVDRJESA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000029128704 562001186 /nfs/dbraw/zinc/00/11/86/562001186.db2.gz QONKHBKJVKMNDU-RXVVDRJESA-N 1 2 573.119 3.804 1 0 KHAFLO O=c1c(N(CC[NH+]2CCSCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1O ZINC000029128767 562001158 /nfs/dbraw/zinc/00/11/58/562001158.db2.gz OMPYFSXSVDORIO-UHFFFAOYSA-N 1 2 522.048 3.775 1 0 KHAFLO C[NH+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ncc(-c4ccc(Cl)s4)s3)C2=O)c(F)c1 ZINC000029130553 562002735 /nfs/dbraw/zinc/00/27/35/562002735.db2.gz KFSCNUGXNIOMGI-MRXNPFEDSA-N 1 2 581.120 3.995 1 0 KHAFLO C[NH+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ncc(-c4ccc(Cl)s4)s3)C2=O)c(F)c1 ZINC000029130555 562002710 /nfs/dbraw/zinc/00/27/10/562002710.db2.gz KFSCNUGXNIOMGI-INIZCTEOSA-N 1 2 581.120 3.995 1 0 KHAFLO C/C(=C\S(=O)(=O)N[C@@H]1CCN(c2ccc(-n3ccnc3C[NH+](C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130853 562002906 /nfs/dbraw/zinc/00/29/06/562002906.db2.gz CEBGXJOHASCKOD-LGHUBQEGSA-N 1 2 538.070 3.874 1 0 KHAFLO C/C(=C\S(=O)(=O)N[C@H]1CCN(c2ccc(-n3ccnc3C[NH+](C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130855 562002816 /nfs/dbraw/zinc/00/28/16/562002816.db2.gz CEBGXJOHASCKOD-JJJPLKNQSA-N 1 2 538.070 3.874 1 0 KHAFLO O=C(NCc1ccccc1)N1CCN(c2ccc(N(Cc3c[nH]c[nH+]3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000029230182 562009146 /nfs/dbraw/zinc/00/91/46/562009146.db2.gz QSBUAMGTVLBHNW-UHFFFAOYSA-N 1 2 530.654 3.837 1 0 KHAFLO O=C(NCc1ccccc1)N1CCN(c2ccc(N(Cc3c[nH+]c[nH]3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000029230182 562009143 /nfs/dbraw/zinc/00/91/43/562009143.db2.gz QSBUAMGTVLBHNW-UHFFFAOYSA-N 1 2 530.654 3.837 1 0 KHAFLO C[C@@H]1CO[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000029338491 562014749 /nfs/dbraw/zinc/01/47/49/562014749.db2.gz KTWUOCBXSLEVFU-RDUBVWNMSA-N 1 2 625.811 3.814 1 0 KHAFLO C[C@@H]1CO[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000029338491 562014747 /nfs/dbraw/zinc/01/47/47/562014747.db2.gz KTWUOCBXSLEVFU-RDUBVWNMSA-N 1 2 625.811 3.814 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1 ZINC000029338853 562014814 /nfs/dbraw/zinc/01/48/14/562014814.db2.gz DKBHUEXIOKTNTL-MYHRABSESA-N 1 2 653.821 3.731 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)C(=O)O1 ZINC000029338853 562014813 /nfs/dbraw/zinc/01/48/13/562014813.db2.gz DKBHUEXIOKTNTL-MYHRABSESA-N 1 2 653.821 3.731 1 0 KHAFLO CCCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029340972 562015298 /nfs/dbraw/zinc/01/52/98/562015298.db2.gz ISNKQRVZBOSGFV-VFFRCKCKSA-N 1 2 668.836 3.620 1 0 KHAFLO CCCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029340972 562015296 /nfs/dbraw/zinc/01/52/96/562015296.db2.gz ISNKQRVZBOSGFV-VFFRCKCKSA-N 1 2 668.836 3.620 1 0 KHAFLO CC(C)ON1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029342765 562015588 /nfs/dbraw/zinc/01/55/88/562015588.db2.gz MUVJQZIFSBKHMD-VFFRCKCKSA-N 1 2 684.835 3.550 1 0 KHAFLO CC(C)ON1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029342765 562015587 /nfs/dbraw/zinc/01/55/87/562015587.db2.gz MUVJQZIFSBKHMD-VFFRCKCKSA-N 1 2 684.835 3.550 1 0 KHAFLO CC(C)CN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029342771 562015583 /nfs/dbraw/zinc/01/55/83/562015583.db2.gz AGHNZOVXHIKXMW-STVCLKQXSA-N 1 2 682.863 3.866 1 0 KHAFLO CC(C)CN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029342771 562015582 /nfs/dbraw/zinc/01/55/82/562015582.db2.gz AGHNZOVXHIKXMW-STVCLKQXSA-N 1 2 682.863 3.866 1 0 KHAFLO CC(C)N1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029344835 562016042 /nfs/dbraw/zinc/01/60/42/562016042.db2.gz NJSUPVWOUYNHMT-VFFRCKCKSA-N 1 2 668.836 3.618 1 0 KHAFLO CC(C)N1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O ZINC000029344835 562016041 /nfs/dbraw/zinc/01/60/41/562016041.db2.gz NJSUPVWOUYNHMT-VFFRCKCKSA-N 1 2 668.836 3.618 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029345312 562016110 /nfs/dbraw/zinc/01/61/10/562016110.db2.gz RRTBHYJKYDWRDY-VFFRCKCKSA-N 1 2 627.827 3.796 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029345312 562016108 /nfs/dbraw/zinc/01/61/08/562016108.db2.gz RRTBHYJKYDWRDY-VFFRCKCKSA-N 1 2 627.827 3.796 1 0 KHAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029391478 562017377 /nfs/dbraw/zinc/01/73/77/562017377.db2.gz RLQYVIBTMGXQBU-LGTXBLIGSA-N 1 2 571.763 3.901 1 0 KHAFLO CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029391478 562017376 /nfs/dbraw/zinc/01/73/76/562017376.db2.gz RLQYVIBTMGXQBU-LGTXBLIGSA-N 1 2 571.763 3.901 1 0 KHAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC(C)C ZINC000029392366 562017678 /nfs/dbraw/zinc/01/76/78/562017678.db2.gz HOMIXIGBHXBJNJ-KEVKATSASA-N 1 2 589.803 3.606 1 0 KHAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC(C)C ZINC000029392366 562017676 /nfs/dbraw/zinc/01/76/76/562017676.db2.gz HOMIXIGBHXBJNJ-KEVKATSASA-N 1 2 589.803 3.606 1 0 KHAFLO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3[nH+]c(NC)n4C)c2C)cc1 ZINC000029394825 562018244 /nfs/dbraw/zinc/01/82/44/562018244.db2.gz LJIWXRWHECFROH-GHRIWEEISA-N 1 2 568.678 3.963 1 0 KHAFLO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000029395649 562018489 /nfs/dbraw/zinc/01/84/89/562018489.db2.gz YFKQDXLMNXUUCE-UIOOFZCWSA-N 1 2 511.626 3.937 1 0 KHAFLO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000029395652 562018538 /nfs/dbraw/zinc/01/85/38/562018538.db2.gz YFKQDXLMNXUUCE-CLJLJLNGSA-N 1 2 511.626 3.937 1 0 KHAFLO COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](N(Cc2[nH]cc[nH+]2)c2ccc(Br)cc2)[C@@H]1O ZINC000029402936 562020024 /nfs/dbraw/zinc/02/00/24/562020024.db2.gz QDKVWUGUPJCQRX-FUPPJEDESA-N 1 2 503.397 3.633 1 0 KHAFLO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCS(=O)(=O)C(C)C)cc1 ZINC000029415502 562022784 /nfs/dbraw/zinc/02/27/84/562022784.db2.gz UPZQIWBZGUFDCQ-ORYMTKCHSA-N 1 2 705.919 3.611 1 0 KHAFLO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCS(=O)(=O)C(C)C)cc1 ZINC000029415502 562022783 /nfs/dbraw/zinc/02/27/83/562022783.db2.gz UPZQIWBZGUFDCQ-ORYMTKCHSA-N 1 2 705.919 3.611 1 0 KHAFLO CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C ZINC000029416135 562022853 /nfs/dbraw/zinc/02/28/53/562022853.db2.gz BJWWMAAXHWDCAX-ORYMTKCHSA-N 1 2 673.921 3.630 1 0 KHAFLO CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C ZINC000029416135 562022851 /nfs/dbraw/zinc/02/28/51/562022851.db2.gz BJWWMAAXHWDCAX-ORYMTKCHSA-N 1 2 673.921 3.630 1 0 KHAFLO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000029464495 562023850 /nfs/dbraw/zinc/02/38/50/562023850.db2.gz VWLOQZCQYQZEHT-RUZDIDTESA-N 1 2 584.620 3.785 1 0 KHAFLO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000029464498 562023820 /nfs/dbraw/zinc/02/38/20/562023820.db2.gz VWLOQZCQYQZEHT-VWLOTQADSA-N 1 2 584.620 3.785 1 0 KHAFLO CC(=O)n1c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C[C@H](O)C(C)C)cc2ccccc21 ZINC000029489407 562029088 /nfs/dbraw/zinc/02/90/88/562029088.db2.gz QBOFHWOYCVOEDL-NSIYGSDQSA-N 1 2 565.715 3.589 1 0 KHAFLO CC(=O)n1c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C[C@H](O)C(C)C)cc2ccccc21 ZINC000029489407 562029087 /nfs/dbraw/zinc/02/90/87/562029087.db2.gz QBOFHWOYCVOEDL-NSIYGSDQSA-N 1 2 565.715 3.589 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccccc2o1 ZINC000029547140 562030248 /nfs/dbraw/zinc/03/02/48/562030248.db2.gz AOSGZNKQWXSFGB-QORCZRPOSA-N 1 2 524.662 3.720 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccccc2o1 ZINC000029547140 562030246 /nfs/dbraw/zinc/03/02/46/562030246.db2.gz AOSGZNKQWXSFGB-QORCZRPOSA-N 1 2 524.662 3.720 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccccc2cn1 ZINC000029547143 562030221 /nfs/dbraw/zinc/03/02/21/562030221.db2.gz OIAJUAFTHLOOTI-VNNZRSTGSA-N 1 2 535.689 3.522 1 0 KHAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccccc2cn1 ZINC000029547143 562030219 /nfs/dbraw/zinc/03/02/19/562030219.db2.gz OIAJUAFTHLOOTI-VNNZRSTGSA-N 1 2 535.689 3.522 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccc(Br)s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029554373 562031860 /nfs/dbraw/zinc/03/18/60/562031860.db2.gz QENQYVYSOVDJNK-SJBMPIJESA-N 1 2 727.788 3.822 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccc(Br)s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029554373 562031859 /nfs/dbraw/zinc/03/18/59/562031859.db2.gz QENQYVYSOVDJNK-SJBMPIJESA-N 1 2 727.788 3.822 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cc(Br)cs3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029555063 562031927 /nfs/dbraw/zinc/03/19/27/562031927.db2.gz UORPPOQBOUNVPY-MUPNWXRXSA-N 1 2 727.788 3.822 1 0 KHAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3cc(Br)cs3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029555063 562031925 /nfs/dbraw/zinc/03/19/25/562031925.db2.gz UORPPOQBOUNVPY-MUPNWXRXSA-N 1 2 727.788 3.822 1 0 KHAFLO CC(C)CCNC(=O)[C@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029570475 562035638 /nfs/dbraw/zinc/03/56/38/562035638.db2.gz COCDSOIMARBICK-JHESMCJISA-N 1 2 712.933 3.693 1 0 KHAFLO CC(C)CCNC(=O)[C@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029570475 562035637 /nfs/dbraw/zinc/03/56/37/562035637.db2.gz COCDSOIMARBICK-JHESMCJISA-N 1 2 712.933 3.693 1 0 KHAFLO Cc1c2ccccc2sc1CN(C)C(=O)/C=C/c1cnc2c(c1)CN(CC[NH+]1CCOCC1)C(=O)N2 ZINC000033991112 562038027 /nfs/dbraw/zinc/03/80/27/562038027.db2.gz LWQRVEMDGXOEIR-BQYQJAHWSA-N 1 2 505.644 3.956 1 0 KHAFLO Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272887 562038723 /nfs/dbraw/zinc/03/87/23/562038723.db2.gz QTYFOTBZTXHTIH-SFHVURJKSA-N 1 2 521.565 3.736 1 0 KHAFLO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272887 562038722 /nfs/dbraw/zinc/03/87/22/562038722.db2.gz QTYFOTBZTXHTIH-SFHVURJKSA-N 1 2 521.565 3.736 1 0 KHAFLO Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272888 562038716 /nfs/dbraw/zinc/03/87/16/562038716.db2.gz QTYFOTBZTXHTIH-GOSISDBHSA-N 1 2 521.565 3.736 1 0 KHAFLO Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)c2ccccc2n1 ZINC000034272888 562038715 /nfs/dbraw/zinc/03/87/15/562038715.db2.gz QTYFOTBZTXHTIH-GOSISDBHSA-N 1 2 521.565 3.736 1 0 KHAFLO C[C@H](Nc1c(-c2c(F)cc(OCC[NH+]3CCOCC3)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000034561547 562039150 /nfs/dbraw/zinc/03/91/50/562039150.db2.gz MIZWZYPKIVHIRV-NSHDSACASA-N 1 2 506.863 3.797 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689265 562039900 /nfs/dbraw/zinc/03/99/00/562039900.db2.gz HSURSXUYOFVNCD-GHTZIAJQSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689265 562039898 /nfs/dbraw/zinc/03/98/98/562039898.db2.gz HSURSXUYOFVNCD-GHTZIAJQSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689266 562039878 /nfs/dbraw/zinc/03/98/78/562039878.db2.gz HSURSXUYOFVNCD-WIYYLYMNSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000034689266 562039876 /nfs/dbraw/zinc/03/98/76/562039876.db2.gz HSURSXUYOFVNCD-WIYYLYMNSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140753 562048011 /nfs/dbraw/zinc/04/80/11/562048011.db2.gz QONKHBKJVKMNDU-WIYYLYMNSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140753 562048009 /nfs/dbraw/zinc/04/80/09/562048009.db2.gz QONKHBKJVKMNDU-WIYYLYMNSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140757 562047993 /nfs/dbraw/zinc/04/79/93/562047993.db2.gz QONKHBKJVKMNDU-NQIIRXRSSA-N 1 2 573.119 3.804 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000036140757 562047991 /nfs/dbraw/zinc/04/79/91/562047991.db2.gz QONKHBKJVKMNDU-NQIIRXRSSA-N 1 2 573.119 3.804 1 0 KHAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000036160733 562048681 /nfs/dbraw/zinc/04/86/81/562048681.db2.gz KMLPTSBNSKGTKS-ILJQZKEFSA-N 1 2 572.750 3.908 1 0 KHAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc3ccccc32)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000036160738 562048618 /nfs/dbraw/zinc/04/86/18/562048618.db2.gz DXNKOOLINCJBEM-ILJQZKEFSA-N 1 2 572.750 3.908 1 0 KHAFLO CN(C)c1ccc(C(=O)Nc2ncc(SCc3cccc(C(=O)N4CC[NH+](CCO)CC4)c3)s2)cc1 ZINC000036184839 562050452 /nfs/dbraw/zinc/05/04/52/562050452.db2.gz VLQPHCSSQQRKAF-UHFFFAOYSA-N 1 2 525.700 3.504 1 0 KHAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccccc1CNS(C)(=O)=O ZINC000036330421 562055799 /nfs/dbraw/zinc/05/57/99/562055799.db2.gz ORYMXHUFOAZSNG-LJAQVGFWSA-N 1 2 545.665 3.855 1 0 KHAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccccc1CNS(C)(=O)=O ZINC000036330422 562055829 /nfs/dbraw/zinc/05/58/29/562055829.db2.gz ORYMXHUFOAZSNG-GDLZYMKVSA-N 1 2 545.665 3.855 1 0 KHAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(CNS(C)(=O)=O)cc1 ZINC000036330433 562055770 /nfs/dbraw/zinc/05/57/70/562055770.db2.gz HWHGRAMVKSPMDJ-LJAQVGFWSA-N 1 2 545.665 3.855 1 0 KHAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1ccc(CNS(C)(=O)=O)cc1 ZINC000036330434 562055836 /nfs/dbraw/zinc/05/58/36/562055836.db2.gz HWHGRAMVKSPMDJ-GDLZYMKVSA-N 1 2 545.665 3.855 1 0 KHAFLO C[C@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(CNS(C)(=O)=O)c1 ZINC000036330435 562055774 /nfs/dbraw/zinc/05/57/74/562055774.db2.gz BIHDOYKIKJUQTP-LJAQVGFWSA-N 1 2 545.665 3.855 1 0 KHAFLO C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(CNS(C)(=O)=O)c1 ZINC000036330436 562055756 /nfs/dbraw/zinc/05/57/56/562055756.db2.gz BIHDOYKIKJUQTP-GDLZYMKVSA-N 1 2 545.665 3.855 1 0 KHAFLO CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)[nH+]c3CN3CCc4ccccc43)cc2)cc1 ZINC000038156532 562068297 /nfs/dbraw/zinc/06/82/97/562068297.db2.gz OXSFIKMJKHBQLM-UHFFFAOYSA-N 1 2 500.628 3.886 1 0 KHAFLO O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2cc[nH+]c21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000038257548 562070636 /nfs/dbraw/zinc/07/06/36/562070636.db2.gz MOCVBJOZHOAQQH-OXQOHEQNSA-N 1 2 507.545 3.865 1 0 KHAFLO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccccc1Cl)N(C)[C@@H]2c1ccccc1Cl ZINC000039146609 562072757 /nfs/dbraw/zinc/07/27/57/562072757.db2.gz PBLCUJUZEZUWNJ-YQXZIBMNSA-N 1 2 505.398 3.555 1 0 KHAFLO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccccc1Cl)N(C)[C@@H]2c1ccccc1Cl ZINC000039146609 562072755 /nfs/dbraw/zinc/07/27/55/562072755.db2.gz PBLCUJUZEZUWNJ-YQXZIBMNSA-N 1 2 505.398 3.555 1 0 KHAFLO C[C@@H](c1ccc2cc(CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)ccc2n1)[NH+]1CCOCC1 ZINC000040414113 562075581 /nfs/dbraw/zinc/07/55/81/562075581.db2.gz BVDULJDAQZQQCT-KRWDZBQOSA-N 1 2 509.574 3.500 1 0 KHAFLO C[C@H](c1ccc2cc(CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)ccc2n1)[NH+]1CCOCC1 ZINC000040414116 562075591 /nfs/dbraw/zinc/07/55/91/562075591.db2.gz BVDULJDAQZQQCT-QGZVFWFLSA-N 1 2 509.574 3.500 1 0 KHAFLO C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000040466446 562077332 /nfs/dbraw/zinc/07/73/32/562077332.db2.gz QVAMPKUASCJBGJ-BWWHIALSSA-N 1 2 519.686 3.657 1 0 KHAFLO C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000040466448 562077354 /nfs/dbraw/zinc/07/73/54/562077354.db2.gz QVAMPKUASCJBGJ-VZSHYEJTSA-N 1 2 519.686 3.657 1 0 KHAFLO C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000040466450 562077321 /nfs/dbraw/zinc/07/73/21/562077321.db2.gz QVAMPKUASCJBGJ-JKDNAFQXSA-N 1 2 519.686 3.657 1 0 KHAFLO C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000040466452 562077364 /nfs/dbraw/zinc/07/73/64/562077364.db2.gz QVAMPKUASCJBGJ-GCJOISRTSA-N 1 2 519.686 3.657 1 0 KHAFLO COc1cccc(N2CC[NH+](CC(=O)[C@@]3(O)CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)C5=CC[C@@]43C)CC2)n1 ZINC000040503649 562077524 /nfs/dbraw/zinc/07/75/24/562077524.db2.gz VFQOCIHFYXXQCW-BWWHIALSSA-N 1 2 519.686 3.964 1 0 KHAFLO COc1cccc(N2CC[NH+](CC(=O)[C@@]3(O)CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)C5=CC[C@@]43C)CC2)n1 ZINC000040503651 562077533 /nfs/dbraw/zinc/07/75/33/562077533.db2.gz VFQOCIHFYXXQCW-VZSHYEJTSA-N 1 2 519.686 3.964 1 0 KHAFLO COc1cccc(N2CC[NH+](CC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)C5=CC[C@@]43C)CC2)n1 ZINC000040503653 562077463 /nfs/dbraw/zinc/07/74/63/562077463.db2.gz VFQOCIHFYXXQCW-JKDNAFQXSA-N 1 2 519.686 3.964 1 0 KHAFLO COc1cccc(N2CC[NH+](CC(=O)[C@@]3(O)CC[C@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)C5=CC[C@@]43C)CC2)n1 ZINC000040503655 562077550 /nfs/dbraw/zinc/07/75/50/562077550.db2.gz VFQOCIHFYXXQCW-GCJOISRTSA-N 1 2 519.686 3.964 1 0 KHAFLO CC(C)Nc1nccc(N(C(=O)NCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(F)cc2)n1 ZINC000040566737 562077954 /nfs/dbraw/zinc/07/79/54/562077954.db2.gz ASOFDIURCYCDPC-UHFFFAOYSA-N 1 2 501.607 3.836 1 0 KHAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(CNS(=O)(=O)c3ccccc3)c2)CC1 ZINC000040567402 562078146 /nfs/dbraw/zinc/07/81/46/562078146.db2.gz MBJBQMMDYQGPII-UHFFFAOYSA-N 1 2 519.696 3.935 1 0 KHAFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4csc(CNS(=O)(=O)c5ccccc5)c4)n[nH]c2-3)CC1 ZINC000040567402 562078144 /nfs/dbraw/zinc/07/81/44/562078144.db2.gz MBJBQMMDYQGPII-UHFFFAOYSA-N 1 2 519.696 3.935 1 0 KHAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(CNS(=O)(=O)c5ccccc5)c4)n[nH]c2-3)CC1 ZINC000040567402 562078142 /nfs/dbraw/zinc/07/81/42/562078142.db2.gz MBJBQMMDYQGPII-UHFFFAOYSA-N 1 2 519.696 3.935 1 0 KHAFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(CNS(=O)(=O)c3ccccc3)c2)CC1 ZINC000040567402 562078140 /nfs/dbraw/zinc/07/81/40/562078140.db2.gz MBJBQMMDYQGPII-UHFFFAOYSA-N 1 2 519.696 3.935 1 0 KHAFLO O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1O ZINC000040584686 562078449 /nfs/dbraw/zinc/07/84/49/562078449.db2.gz JCYNLJZAZXFRHU-UHFFFAOYSA-N 1 2 533.669 3.940 1 0 KHAFLO CC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](Nc3[nH+]c4ccccc4n3CC(=O)OC(C)(C)C)[C@H]2SC1 ZINC000040632051 562078542 /nfs/dbraw/zinc/07/85/42/562078542.db2.gz MTLKRSQAFDYVME-WIYYLYMNSA-N 1 2 500.621 3.689 1 0 KHAFLO CC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](Nc3[nH+]c4ccccc4n3CC(=O)OC(C)(C)C)[C@@H]2SC1 ZINC000040632053 562078591 /nfs/dbraw/zinc/07/85/91/562078591.db2.gz MTLKRSQAFDYVME-NQIIRXRSSA-N 1 2 500.621 3.689 1 0 KHAFLO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4cnc5[nH]c(=O)c(=O)[nH]c5c4)CC3)[nH]2)cc1 ZINC000040901013 562083542 /nfs/dbraw/zinc/08/35/42/562083542.db2.gz XHQHYXWJUZSIFJ-UHFFFAOYSA-N 1 2 509.614 3.774 1 0 KHAFLO CC(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000040934429 562084830 /nfs/dbraw/zinc/08/48/30/562084830.db2.gz RYAPFHFYVVEULH-ADLFWFRXSA-N 1 2 514.051 3.552 1 0 KHAFLO CC(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000040934429 562084829 /nfs/dbraw/zinc/08/48/29/562084829.db2.gz RYAPFHFYVVEULH-ADLFWFRXSA-N 1 2 514.051 3.552 1 0 KHAFLO COc1ccc(Cn2c(=O)c(NCC[NH+]3CCOCC3)nc3ccc(-c4ccc(F)c(F)c4)nc32)cc1 ZINC000043023388 562645027 /nfs/dbraw/zinc/64/50/27/562645027.db2.gz GGSBSGUIWFYXMM-UHFFFAOYSA-N 1 2 507.541 3.538 1 0 KHAFLO COc1cc2nc(N(C)CCCCCCN(C)C(=O)[C@@H]3COc4ccccc4O3)[nH+]c(N)c2cc1OC ZINC000043072813 562645593 /nfs/dbraw/zinc/64/55/93/562645593.db2.gz NXJYLDGTQWINTD-DEOSSOPVSA-N 1 2 509.607 3.524 1 0 KHAFLO COc1cc2nc(N(C)CCCCCCN(C)C(=O)[C@H]3COc4ccccc4O3)[nH+]c(N)c2cc1OC ZINC000043072818 562645598 /nfs/dbraw/zinc/64/55/98/562645598.db2.gz NXJYLDGTQWINTD-XMMPIXPASA-N 1 2 509.607 3.524 1 0 KHAFLO Brc1cnc2[nH]c(-c3ccc(C[NH+]4CCOCC4)cc3)nc2c1N1CCN(Cc2cccnc2)CC1 ZINC000043170389 562646566 /nfs/dbraw/zinc/64/65/66/562646566.db2.gz MEZWUQRNUZIXMC-UHFFFAOYSA-N 1 2 548.489 3.937 1 0 KHAFLO Cc1cc(CN2CCN(c3c4nc(-c5ccc(C[NH+]6CCOCC6)cc5)[nH]c4ncc3Br)CC2)no1 ZINC000043170391 562646561 /nfs/dbraw/zinc/64/65/61/562646561.db2.gz NWPFROXAYMXLFA-UHFFFAOYSA-N 1 2 552.477 3.838 1 0 KHAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(CO)cc4[nH+]3)[C@H]2SC1 ZINC000043627788 562650320 /nfs/dbraw/zinc/65/03/20/562650320.db2.gz VBMKRUOGCFJJFG-VAVYLYDRSA-N 1 2 584.654 3.901 1 0 KHAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cc(CO)ccc4[nH+]3)[C@H]2SC1 ZINC000043627788 562650319 /nfs/dbraw/zinc/65/03/19/562650319.db2.gz VBMKRUOGCFJJFG-VAVYLYDRSA-N 1 2 584.654 3.901 1 0 KHAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(CO)cc4[nH+]3)[C@@H]2SC1 ZINC000043627792 562650302 /nfs/dbraw/zinc/65/03/02/562650302.db2.gz VBMKRUOGCFJJFG-IRPSRAIASA-N 1 2 584.654 3.901 1 0 KHAFLO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cc(CO)ccc4[nH+]3)[C@@H]2SC1 ZINC000043627792 562650301 /nfs/dbraw/zinc/65/03/01/562650301.db2.gz VBMKRUOGCFJJFG-IRPSRAIASA-N 1 2 584.654 3.901 1 0 KHAFLO Cc1cc[nH+]c(C)c1OCC(=O)N[C@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N1CCCNC1=O ZINC000043648902 562650553 /nfs/dbraw/zinc/65/05/53/562650553.db2.gz ROKPQKODUBKEGX-WTGZKXAYSA-N 1 2 629.802 3.723 1 0 KHAFLO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCC[NH+]4CCOCC4)c3Cl)c2n1 ZINC000044053114 562651933 /nfs/dbraw/zinc/65/19/33/562651933.db2.gz WDKHVWLDUSHCTB-UHFFFAOYSA-N 1 2 595.549 3.934 1 0 KHAFLO Cc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)n1-c1ccc([NH+](C)C)c2ccccc21 ZINC000044053293 562651977 /nfs/dbraw/zinc/65/19/77/562651977.db2.gz GSJOXNXVCLTACS-UHFFFAOYSA-N 1 2 531.063 3.827 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCN(Cc2c[nH]c[nH+]2)c2ccc(Br)cc2)Cc2ccccc2)c1 ZINC000044069332 562652077 /nfs/dbraw/zinc/65/20/77/562652077.db2.gz MZHRISKTSSXGIP-UHFFFAOYSA-N 1 2 529.464 3.803 1 0 KHAFLO Cn1cnc(S(=O)(=O)N(CCN(Cc2c[nH+]c[nH]2)c2ccc(Br)cc2)Cc2ccccc2)c1 ZINC000044069332 562652076 /nfs/dbraw/zinc/65/20/76/562652076.db2.gz MZHRISKTSSXGIP-UHFFFAOYSA-N 1 2 529.464 3.803 1 0 KHAFLO CC[N@H+]1CCC[C@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305832 562653562 /nfs/dbraw/zinc/65/35/62/562653562.db2.gz KPZAOAOHROLHAD-WJOKGBTCSA-N 1 2 554.651 3.608 1 0 KHAFLO CC[N@@H+]1CCC[C@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305832 562653561 /nfs/dbraw/zinc/65/35/61/562653561.db2.gz KPZAOAOHROLHAD-WJOKGBTCSA-N 1 2 554.651 3.608 1 0 KHAFLO CC[N@H+]1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305835 562653589 /nfs/dbraw/zinc/65/35/89/562653589.db2.gz KPZAOAOHROLHAD-HKBQPEDESA-N 1 2 554.651 3.608 1 0 KHAFLO CC[N@@H+]1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305835 562653588 /nfs/dbraw/zinc/65/35/88/562653588.db2.gz KPZAOAOHROLHAD-HKBQPEDESA-N 1 2 554.651 3.608 1 0 KHAFLO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387400 562656097 /nfs/dbraw/zinc/65/60/97/562656097.db2.gz HJWMGWLIOBSHCF-SFHVURJKSA-N 1 2 576.119 3.774 1 0 KHAFLO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387400 562656096 /nfs/dbraw/zinc/65/60/96/562656096.db2.gz HJWMGWLIOBSHCF-SFHVURJKSA-N 1 2 576.119 3.774 1 0 KHAFLO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387403 562656111 /nfs/dbraw/zinc/65/61/11/562656111.db2.gz HJWMGWLIOBSHCF-GOSISDBHSA-N 1 2 576.119 3.774 1 0 KHAFLO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NS(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000044387403 562656110 /nfs/dbraw/zinc/65/61/10/562656110.db2.gz HJWMGWLIOBSHCF-GOSISDBHSA-N 1 2 576.119 3.774 1 0 KHAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)NC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000044430411 562657510 /nfs/dbraw/zinc/65/75/10/562657510.db2.gz WBPYJSSVYPJIFA-PAXLWEDBSA-N 1 2 571.147 3.878 1 0 KHAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)NC(C)(C)C)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000044430411 562657509 /nfs/dbraw/zinc/65/75/09/562657509.db2.gz WBPYJSSVYPJIFA-PAXLWEDBSA-N 1 2 571.147 3.878 1 0 KHAFLO C[NH2+]CC(=O)OCn1cc(CCNc2ncnc3ccsc32)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000044430621 562657615 /nfs/dbraw/zinc/65/76/15/562657615.db2.gz OBEBHJNAXADPEG-IADYIPOJSA-N 1 2 532.051 3.715 1 0 KHAFLO COc1ccc(-n2cc(CCCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000045285785 562660160 /nfs/dbraw/zinc/66/01/60/562660160.db2.gz LQCYZRIMQQNBAQ-UHFFFAOYSA-N 1 2 517.461 3.844 1 0 KHAFLO COC(=O)[C@H](Cc1c[nH]c(C(C)(C)C)[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000045291267 562660342 /nfs/dbraw/zinc/66/03/42/562660342.db2.gz MXFARWTWBGGLMQ-SFTDATJTSA-N 1 2 511.623 3.525 1 0 KHAFLO COC(=O)[C@H](Cc1c[nH+]c(C(C)(C)C)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000045291267 562660341 /nfs/dbraw/zinc/66/03/41/562660341.db2.gz MXFARWTWBGGLMQ-SFTDATJTSA-N 1 2 511.623 3.525 1 0 KHAFLO Cc1cc(C)cc(OC[C@H](O)CN(CC[NH+]2CCOCC2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000045303244 562660769 /nfs/dbraw/zinc/66/07/69/562660769.db2.gz LQOBWHKFTJTBKU-JOCHJYFZSA-N 1 2 506.441 3.672 1 0 KHAFLO Cc1cc(C)cc(OC[C@@H](O)CN(CC[NH+]2CCOCC2)C(=O)Nc2ccc(Br)cc2)c1 ZINC000045303245 562660800 /nfs/dbraw/zinc/66/08/00/562660800.db2.gz LQOBWHKFTJTBKU-QFIPXVFZSA-N 1 2 506.441 3.672 1 0 KHAFLO COc1ccc(CCNc2nc(NCCCn3cc[nH+]c3)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045316389 562660903 /nfs/dbraw/zinc/66/09/03/562660903.db2.gz ORORJXUMESQEBQ-UHFFFAOYSA-N 1 2 515.618 3.777 1 0 KHAFLO CC(C)(C)c1cc(=O)[nH]c(SCC(=O)N2CCC[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)n1 ZINC000045335030 562661309 /nfs/dbraw/zinc/66/13/09/562661309.db2.gz DTBVTLBYFGTQMY-UHFFFAOYSA-N 1 2 513.708 3.630 1 0 KHAFLO CC(C)(C)c1cc(=O)[nH]c(SCC(=O)N2CCC[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC2)n1 ZINC000045335030 562661308 /nfs/dbraw/zinc/66/13/08/562661308.db2.gz DTBVTLBYFGTQMY-UHFFFAOYSA-N 1 2 513.708 3.630 1 0 KHAFLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000045351671 562661777 /nfs/dbraw/zinc/66/17/77/562661777.db2.gz MZQWICPEQDLLOW-SANMLTNESA-N 1 2 522.667 3.901 1 0 KHAFLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@H]2Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000045351675 562661785 /nfs/dbraw/zinc/66/17/85/562661785.db2.gz MZQWICPEQDLLOW-AREMUKBSSA-N 1 2 522.667 3.901 1 0 KHAFLO CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CC[NH2+]CC4)cc3)ncc2c1=O ZINC000045497707 562662752 /nfs/dbraw/zinc/66/27/52/562662752.db2.gz QITJGANHTIQNPN-UHFFFAOYSA-N 1 2 510.598 3.771 1 0 KHAFLO CC(C)S(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)nc(NC(=O)c2ccsc2)n3C[C@H](O)c2ccccc2)CC1 ZINC000048307300 562662979 /nfs/dbraw/zinc/66/29/79/562662979.db2.gz BXTSNFCXYOSUKY-SANMLTNESA-N 1 2 567.737 3.940 1 0 KHAFLO Cc1cc2c(c(-c3cccc(Cl)c3)nnc2NCCC[NH+]2CCN(C(=O)c3ncccn3)CC2)n1C ZINC000049072107 562664241 /nfs/dbraw/zinc/66/42/41/562664241.db2.gz NTTHGUAFUATIQR-UHFFFAOYSA-N 1 2 505.026 3.647 1 0 KHAFLO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCN1CC[NH+](Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088925 562664400 /nfs/dbraw/zinc/66/44/00/562664400.db2.gz HGYZQQYSPZGWBC-HKBQPEDESA-N 1 2 537.701 3.524 1 0 KHAFLO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCN1CC[NH+](Cc3ccc(C(C)C)cc(O)c3=O)CC1)O2 ZINC000049088926 562664378 /nfs/dbraw/zinc/66/43/78/562664378.db2.gz HGYZQQYSPZGWBC-WJOKGBTCSA-N 1 2 537.701 3.524 1 0 KHAFLO Cc1c(C(=O)NCC[NH+]2CCOCC2)[nH]c2cnnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 ZINC000049089096 562664358 /nfs/dbraw/zinc/66/43/58/562664358.db2.gz JROJOBDTYUBCFO-UHFFFAOYSA-N 1 2 522.009 3.699 1 0 KHAFLO Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCc3ccc(Nc4nc(NCCO)nc(Nc5ccc(Cl)cc5)n4)cc3)n2)c1 ZINC000049680338 562669182 /nfs/dbraw/zinc/66/91/82/562669182.db2.gz LBQDFVZDHUYQTP-UHFFFAOYSA-N 1 2 644.144 3.986 1 0 KHAFLO CN(C)c1nc(Nc2ccc(CCNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)cc2)nc(Nc2cccc(N)c2)n1 ZINC000049680348 562669213 /nfs/dbraw/zinc/66/92/13/562669213.db2.gz ZHACOEAZORRGOW-UHFFFAOYSA-N 1 2 608.715 3.577 1 0 KHAFLO O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000049680359 562669204 /nfs/dbraw/zinc/66/92/04/562669204.db2.gz BSXTUXACKQIAOD-VWNXMTODSA-N 1 2 558.047 3.649 1 0 KHAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(C)(=O)=O ZINC000049694840 562669872 /nfs/dbraw/zinc/66/98/72/562669872.db2.gz ITIFKIGVNCFMJS-FNZWTVRRSA-N 1 2 570.679 3.947 1 0 KHAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(C)(=O)=O ZINC000049694841 562669867 /nfs/dbraw/zinc/66/98/67/562669867.db2.gz ITIFKIGVNCFMJS-IBVKSMDESA-N 1 2 570.679 3.947 1 0 KHAFLO C[C@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(C)(=O)=O ZINC000049694842 562669859 /nfs/dbraw/zinc/66/98/59/562669859.db2.gz ITIFKIGVNCFMJS-RXFWQSSRSA-N 1 2 570.679 3.947 1 0 KHAFLO C[C@@H](Nc1nc(-n2cnc3ccccc32)cc[nH+]1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1S(C)(=O)=O ZINC000049694843 562669880 /nfs/dbraw/zinc/66/98/80/562669880.db2.gz ITIFKIGVNCFMJS-FQRUVTKNSA-N 1 2 570.679 3.947 1 0 KHAFLO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(OCC[NH+]4CCOCC4)nc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049708367 562670875 /nfs/dbraw/zinc/67/08/75/562670875.db2.gz LSPYTXAQSKEIJE-PLQXJYEYSA-N 1 2 599.696 3.631 1 0 KHAFLO CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C[NH+](C)C)cc(-c3ccccc3)n2)CC1 ZINC000049710681 562671768 /nfs/dbraw/zinc/67/17/68/562671768.db2.gz ANKCAPALFVNBKG-MHZLTWQESA-N 1 2 666.820 3.940 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720255 562672085 /nfs/dbraw/zinc/67/20/85/562672085.db2.gz MXIJGNJMISLFIE-SRVOTTLTSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720255 562672084 /nfs/dbraw/zinc/67/20/84/562672084.db2.gz MXIJGNJMISLFIE-SRVOTTLTSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720255 562672083 /nfs/dbraw/zinc/67/20/83/562672083.db2.gz MXIJGNJMISLFIE-SRVOTTLTSA-N 1 2 648.795 3.750 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720255 562672082 /nfs/dbraw/zinc/67/20/82/562672082.db2.gz MXIJGNJMISLFIE-SRVOTTLTSA-N 1 2 648.795 3.750 1 0 KHAFLO Cc1nn(C)c2ncc(CN3CC[N@@H+](C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000049720438 562672057 /nfs/dbraw/zinc/67/20/57/562672057.db2.gz ACHQUDJPGNODSX-BMQJRCANSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(CN3CC[N@H+](C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000049720438 562672056 /nfs/dbraw/zinc/67/20/56/562672056.db2.gz ACHQUDJPGNODSX-BMQJRCANSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000049720438 562672055 /nfs/dbraw/zinc/67/20/55/562672055.db2.gz ACHQUDJPGNODSX-BMQJRCANSA-N 1 2 716.327 3.715 1 0 KHAFLO Cc1nn(C)c2ncc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)c(Cl)c12 ZINC000049720438 562672054 /nfs/dbraw/zinc/67/20/54/562672054.db2.gz ACHQUDJPGNODSX-BMQJRCANSA-N 1 2 716.327 3.715 1 0 KHAFLO NC(=O)c1sc(-n2cnc3ccc(C(=O)NCC[NH+]4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F ZINC000049745022 562673634 /nfs/dbraw/zinc/67/36/34/562673634.db2.gz ZLBYJAOVKCJILT-UHFFFAOYSA-N 1 2 573.597 3.846 1 0 KHAFLO CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(CC)c[nH+]2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049746912 562674654 /nfs/dbraw/zinc/67/46/54/562674654.db2.gz SQQQVLYYSGVZJF-WFFVHEBKSA-N 1 2 623.762 3.503 1 0 KHAFLO COc1cccc2c1OC[C@H](Cc1ccc(OCC[NH+]3CCOCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049756215 562674900 /nfs/dbraw/zinc/67/49/00/562674900.db2.gz XGLISZVFINHBKW-SANMLTNESA-N 1 2 552.693 3.909 1 0 KHAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049756802 562675274 /nfs/dbraw/zinc/67/52/74/562675274.db2.gz BLIHXFNPRDSWKB-IEIRFRATSA-N 1 2 554.116 3.723 1 0 KHAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049756802 562675273 /nfs/dbraw/zinc/67/52/73/562675273.db2.gz BLIHXFNPRDSWKB-IEIRFRATSA-N 1 2 554.116 3.723 1 0 KHAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2Br)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049756987 562675371 /nfs/dbraw/zinc/67/53/71/562675371.db2.gz DCEKHWXALSASNF-SOVGHPHASA-N 1 2 621.989 3.814 1 0 KHAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2Br)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049756987 562675370 /nfs/dbraw/zinc/67/53/70/562675370.db2.gz DCEKHWXALSASNF-SOVGHPHASA-N 1 2 621.989 3.814 1 0 KHAFLO CS(=O)(=O)N1CC[NH+](Cc2cc3nc(-c4ccc(NC(=O)Nc5ccncc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049757225 562675681 /nfs/dbraw/zinc/67/56/81/562675681.db2.gz HMFRTKWUEKZJKW-PSWAGMNNSA-N 1 2 634.788 3.842 1 0 KHAFLO CS(=O)(=O)N1CC[NH+](Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049757367 562675926 /nfs/dbraw/zinc/67/59/26/562675926.db2.gz MDAFZGAXBHQRNG-PSWAGMNNSA-N 1 2 634.788 3.842 1 0 KHAFLO C[NH+]1CCN(C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Br)cc3)c2Cn2cncn2)CC1 ZINC000049761901 562676211 /nfs/dbraw/zinc/67/62/11/562676211.db2.gz QDFRDIVRWMYVNH-UHFFFAOYSA-N 1 2 540.853 3.983 1 0 KHAFLO Cc1nnnn1[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(C(C)C)c[nH+]2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049762830 562676712 /nfs/dbraw/zinc/67/67/12/562676712.db2.gz IMXHSAQVSOGNKP-HNRHMXCFSA-N 1 2 648.776 3.705 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049765552 562676926 /nfs/dbraw/zinc/67/69/26/562676926.db2.gz AUWNLGCUIINJDZ-KYBMZIDPSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2noc3ccccc32)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049765552 562676925 /nfs/dbraw/zinc/67/69/25/562676925.db2.gz AUWNLGCUIINJDZ-KYBMZIDPSA-N 1 2 653.824 3.613 1 0 KHAFLO COc1ccc2c(c1)OC[C@H](Cc1ccc(OCC[NH+]3CCOCC3)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000049767034 562677337 /nfs/dbraw/zinc/67/73/37/562677337.db2.gz JAWJYLXJOZDZRE-SANMLTNESA-N 1 2 552.693 3.909 1 0 KHAFLO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(S(N)(=O)=O)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775762 562679262 /nfs/dbraw/zinc/67/92/62/562679262.db2.gz ZLJOAFCXAUKYOF-SANMLTNESA-N 1 2 611.834 3.581 1 0 KHAFLO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(S(=O)(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775796 562679242 /nfs/dbraw/zinc/67/92/42/562679242.db2.gz SXGJKVFSEBDOMN-PMERELPUSA-N 1 2 681.925 3.955 1 0 KHAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CC[NH2+]2)c1 ZINC000049777405 562679971 /nfs/dbraw/zinc/67/99/71/562679971.db2.gz BATBIHFGKSMQCY-HMMMRCIUSA-N 1 2 705.224 3.542 1 0 KHAFLO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780695 562682081 /nfs/dbraw/zinc/68/20/81/562682081.db2.gz MNJLHCYPHRHQLE-OZTAZYLFSA-N 1 2 593.668 3.914 1 0 KHAFLO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780695 562682080 /nfs/dbraw/zinc/68/20/80/562682080.db2.gz MNJLHCYPHRHQLE-OZTAZYLFSA-N 1 2 593.668 3.914 1 0 KHAFLO C[C@@H](NC(=O)c1cc(-c2nc([C@](C)([NH3+])Cc3ccccc3)n[nH]2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781107 562682652 /nfs/dbraw/zinc/68/26/52/562682652.db2.gz HFGSXFMUOCGIOG-KWMCUTETSA-N 1 2 550.660 3.914 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccs3)CC[NH2+]2)c1 ZINC000049783626 562683133 /nfs/dbraw/zinc/68/31/33/562683133.db2.gz HPXTWKXHCWYIII-LXQNXJGFSA-N 1 2 662.825 3.962 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CC[NH2+]2)c1 ZINC000049783891 562683296 /nfs/dbraw/zinc/68/32/96/562683296.db2.gz FYKHAXWGPXSFHD-JBOQNHBVSA-N 1 2 675.799 3.505 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)c1 ZINC000049784328 562683539 /nfs/dbraw/zinc/68/35/39/562683539.db2.gz KDRUCCZCGHVXGH-QAXCHELISA-N 1 2 656.796 3.900 1 0 in-vitro KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(OC)c3)CC[NH2+]2)c1 ZINC000049784518 562683639 /nfs/dbraw/zinc/68/36/39/562683639.db2.gz USGZVKLJVKRSOK-DSPMFFIESA-N 1 2 686.822 3.909 1 0 KHAFLO Brc1cnc2[nH]c(-c3ccc(C[NH+]4CCOCC4)cc3)nc2c1N1CCN(Cc2cscn2)CC1 ZINC000049792977 562684546 /nfs/dbraw/zinc/68/45/46/562684546.db2.gz MZFFGJQGKDRXET-UHFFFAOYSA-N 1 2 554.518 3.998 1 0 KHAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CC[NH2+]2)c1 ZINC000049793788 562685162 /nfs/dbraw/zinc/68/51/62/562685162.db2.gz ROLBGZGMDNTLMP-BXAWWBQVSA-N 1 2 711.253 3.604 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049794035 562685332 /nfs/dbraw/zinc/68/53/32/562685332.db2.gz APYLHGQERCKLFK-STZWTPIGSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049794035 562685331 /nfs/dbraw/zinc/68/53/31/562685331.db2.gz APYLHGQERCKLFK-STZWTPIGSA-N 1 2 653.824 3.613 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)CC[NH2+]2)c1 ZINC000049802167 562685574 /nfs/dbraw/zinc/68/55/74/562685574.db2.gz AOGZWUVVSQQOOT-DSPMFFIESA-N 1 2 686.822 3.909 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC[NH2+]2)c1 ZINC000049802645 562685838 /nfs/dbraw/zinc/68/58/38/562685838.db2.gz ICKZAOQSKQYZHX-HHMOXRITSA-N 1 2 716.848 3.917 1 0 KHAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3sc(C)nc3C)CC[NH2+]2)c1 ZINC000049802647 562685807 /nfs/dbraw/zinc/68/58/07/562685807.db2.gz GEJXKWCEBBEVFL-JBOQNHBVSA-N 1 2 691.867 3.973 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816824 581097046 /nfs/dbraw/zinc/09/70/46/581097046.db2.gz XMPOIDUEJWIDEV-FAXBPMTLSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816824 581097045 /nfs/dbraw/zinc/09/70/45/581097045.db2.gz XMPOIDUEJWIDEV-FAXBPMTLSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816825 581097021 /nfs/dbraw/zinc/09/70/21/581097021.db2.gz XMPOIDUEJWIDEV-LRXQMTBVSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816825 581097020 /nfs/dbraw/zinc/09/70/20/581097020.db2.gz XMPOIDUEJWIDEV-LRXQMTBVSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816826 581097164 /nfs/dbraw/zinc/09/71/64/581097164.db2.gz XMPOIDUEJWIDEV-IQKWJPHWSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816826 581097163 /nfs/dbraw/zinc/09/71/63/581097163.db2.gz XMPOIDUEJWIDEV-IQKWJPHWSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816827 581097179 /nfs/dbraw/zinc/09/71/79/581097179.db2.gz XMPOIDUEJWIDEV-UBMUWRQFSA-N 1 2 593.810 3.505 1 0 KHAFLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000049816827 581097178 /nfs/dbraw/zinc/09/71/78/581097178.db2.gz XMPOIDUEJWIDEV-UBMUWRQFSA-N 1 2 593.810 3.505 1 0 KHAFLO CC[NH2+]c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 ZINC000049833585 562687901 /nfs/dbraw/zinc/68/79/01/562687901.db2.gz MWCQAFKRDJYAQP-ZYOXRPPDSA-N 1 2 674.864 3.657 1 0 in-vivo KHAFLO CSc1ncccc1C[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049871953 562689682 /nfs/dbraw/zinc/68/96/82/562689682.db2.gz SUVMGYUHKSTITP-NCCKIYDTSA-N 1 2 659.897 3.589 1 0 KHAFLO CSc1ncccc1C[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049871953 562689681 /nfs/dbraw/zinc/68/96/81/562689681.db2.gz SUVMGYUHKSTITP-NCCKIYDTSA-N 1 2 659.897 3.589 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049872006 562689716 /nfs/dbraw/zinc/68/97/16/562689716.db2.gz KEZWGZKGBARAAS-GEUVBUIESA-N 1 2 648.248 3.520 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049872006 562689715 /nfs/dbraw/zinc/68/97/15/562689715.db2.gz KEZWGZKGBARAAS-GEUVBUIESA-N 1 2 648.248 3.520 1 0 KHAFLO O=S(=O)(Nc1cc(Br)ccc1OCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000049872041 562689732 /nfs/dbraw/zinc/68/97/32/562689732.db2.gz OJKOIKMWUWLLHV-UHFFFAOYSA-N 1 2 520.243 3.723 1 0 KHAFLO CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/n3cc[nH+]c3)s1)n2CCC(N)=O ZINC000049872449 562690035 /nfs/dbraw/zinc/69/00/35/562690035.db2.gz WJBUFDKGSWMSRI-SDNWHVSQSA-N 1 2 539.621 4.327 1 0 KHAFLO O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)c(F)c1 ZINC000049877369 562690099 /nfs/dbraw/zinc/69/00/99/562690099.db2.gz HZOKYJKUTQOJFY-INIZCTEOSA-N 1 2 521.416 3.589 1 0 KHAFLO CNC(=O)c1cccc(-c2ccc([C@H](C[NH+]3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(C)c(C)cc43)cc2)c1 ZINC000049888956 562691635 /nfs/dbraw/zinc/69/16/35/562691635.db2.gz DWAGGUQJLSNEEU-PMERELPUSA-N 1 2 567.690 3.572 1 0 KHAFLO CNC(=O)c1cccc(-c2ccc([C@@H](C[NH+]3CCOCC3)N(C)C(=O)Cn3c(=O)cnc4cc(C)c(C)cc43)cc2)c1 ZINC000049888957 562691650 /nfs/dbraw/zinc/69/16/50/562691650.db2.gz DWAGGUQJLSNEEU-SSEXGKCCSA-N 1 2 567.690 3.572 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049902474 562693357 /nfs/dbraw/zinc/69/33/57/562693357.db2.gz AXTIAEHLYSXLLZ-DTAZWQMVSA-N 1 2 653.824 3.613 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2nc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049902474 562693356 /nfs/dbraw/zinc/69/33/56/562693356.db2.gz AXTIAEHLYSXLLZ-DTAZWQMVSA-N 1 2 653.824 3.613 1 0 KHAFLO O=C(Nc1ccc(Br)cc1)N(CC[NH+]1CCOCC1)C[C@H](O)COc1ccc(Cl)c(F)c1 ZINC000049917704 562693795 /nfs/dbraw/zinc/69/37/95/562693795.db2.gz NIUWBQURWUKGKS-SFHVURJKSA-N 1 2 530.822 3.848 1 0 KHAFLO O=C(Nc1ccc(Br)cc1)N(CC[NH+]1CCOCC1)C[C@@H](O)COc1ccc(Cl)c(F)c1 ZINC000049917705 562693799 /nfs/dbraw/zinc/69/37/99/562693799.db2.gz NIUWBQURWUKGKS-GOSISDBHSA-N 1 2 530.822 3.848 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1 ZINC000053214548 562696447 /nfs/dbraw/zinc/69/64/47/562696447.db2.gz KKULHWAGAYCAAF-SSEXGKCCSA-N 1 2 616.759 3.953 1 0 KHAFLO COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(N3CCOCC3)cc(N3CCOCC3)[nH+]2)cc1 ZINC000058487538 562698110 /nfs/dbraw/zinc/69/81/10/562698110.db2.gz PVIHGJMPKOGYLJ-LJAQVGFWSA-N 1 2 526.641 3.792 1 0 KHAFLO COc1c(NC(=O)[C@H](O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc32)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058534179 562698667 /nfs/dbraw/zinc/69/86/67/562698667.db2.gz NIVRDLOXIPGGEJ-HHHXNRCGSA-N 1 2 585.723 3.901 1 0 KHAFLO CNC(=O)c1ccc(OC)c(OCC[NH+]2CCOCC2)c1-c1c(C(=O)NC)ccc(OC)c1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000058548352 562699104 /nfs/dbraw/zinc/69/91/04/562699104.db2.gz YUMUGBLEIHLLRF-UHFFFAOYSA-N 1 2 659.111 3.611 1 0 KHAFLO C[NH+]1CCN(c2nc3ccccc3cc2Cn2nc(-c3ccc4nc(N)sc4c3)c3c2ncnc3N)CC1 ZINC000058548488 562699109 /nfs/dbraw/zinc/69/91/09/562699109.db2.gz UNSGOTITAWKECZ-UHFFFAOYSA-N 1 2 522.642 3.616 1 0 in-vitro KHAFLO COC(=O)CCNC(=O)CCCCCCC(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000058583761 562700141 /nfs/dbraw/zinc/70/01/41/562700141.db2.gz JMWDXLWLVWXNLL-JGCGQSQUSA-N 1 2 714.864 3.766 1 0 KHAFLO O=C(C[N@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](C2CC2)C1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058590047 562700255 /nfs/dbraw/zinc/70/02/55/562700255.db2.gz SSZSOJSKTSKNPE-XLIONFOSSA-N 1 2 515.010 3.770 1 0 KHAFLO O=C(C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](C2CC2)C1)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058590047 562700254 /nfs/dbraw/zinc/70/02/54/562700254.db2.gz SSZSOJSKTSKNPE-XLIONFOSSA-N 1 2 515.010 3.770 1 0 KHAFLO C[C@@H]([NH2+]C1CC1)c1cc(N2CCN(C)C2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000058590617 562700292 /nfs/dbraw/zinc/70/02/92/562700292.db2.gz FQCFJEIUSGDRSI-OAHLLOKOSA-N 1 2 534.617 3.938 1 0 KHAFLO C[C@H]1C[N@@H+](C)CCN1c1cc(N2CCCOC2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000058590990 562700386 /nfs/dbraw/zinc/70/03/86/562700386.db2.gz OCXNURLGADLXON-KRWDZBQOSA-N 1 2 564.643 3.741 1 0 KHAFLO C[C@H]1C[N@H+](C)CCN1c1cc(N2CCCOC2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000058590990 562700385 /nfs/dbraw/zinc/70/03/85/562700385.db2.gz OCXNURLGADLXON-KRWDZBQOSA-N 1 2 564.643 3.741 1 0 KHAFLO CC(C)[NH+]1CCN(c2cc(N3CCN(C)C3=O)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n3c2)CC1 ZINC000058591227 562700394 /nfs/dbraw/zinc/70/03/94/562700394.db2.gz SEIPQVGCHKOTQF-UHFFFAOYSA-N 1 2 577.686 3.656 1 0 KHAFLO COc1ccccc1Cc1cc(-c2ccc(C)cc2)n[nH+]c1NNC=C(OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000058593834 562700679 /nfs/dbraw/zinc/70/06/79/562700679.db2.gz VPVAEVLGIVTQRL-OYDKCXHRSA-N 1 2 620.659 3.807 1 0 KHAFLO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccccc1 ZINC000058596719 562700778 /nfs/dbraw/zinc/70/07/78/562700778.db2.gz LSRPAIIWDVLKSE-VEDVITAVSA-N 1 2 556.549 3.793 1 0 KHAFLO COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccccc1 ZINC000058596719 562700777 /nfs/dbraw/zinc/70/07/77/562700777.db2.gz LSRPAIIWDVLKSE-VEDVITAVSA-N 1 2 556.549 3.793 1 0 KHAFLO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2nc(N3CCOCC3)cc(N3CCOCC3)[nH+]2)cc1OC ZINC000058650065 562701259 /nfs/dbraw/zinc/70/12/59/562701259.db2.gz SQOLFLXPPXNZLE-SSEXGKCCSA-N 1 2 556.667 3.800 1 0 KHAFLO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccccc1Cl)N(C)[C@H]2c1ccccc1Cl ZINC000058662337 562701432 /nfs/dbraw/zinc/70/14/32/562701432.db2.gz PBLCUJUZEZUWNJ-OTLGMJNYSA-N 1 2 505.398 3.555 1 0 KHAFLO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccccc1Cl)N(C)[C@H]2c1ccccc1Cl ZINC000058662337 562701431 /nfs/dbraw/zinc/70/14/31/562701431.db2.gz PBLCUJUZEZUWNJ-OTLGMJNYSA-N 1 2 505.398 3.555 1 0 KHAFLO CCc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CC[NH+](C)CC4)cc3s2)c1 ZINC000059151373 562701778 /nfs/dbraw/zinc/70/17/78/562701778.db2.gz KNSKFNDLQOIHRP-UHFFFAOYSA-N 1 2 564.133 3.885 1 0 KHAFLO CCOc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CC[NH+](C)CC4)cc3s2)c1 ZINC000059244340 562701895 /nfs/dbraw/zinc/70/18/95/562701895.db2.gz CTAXWQOXPFSRHY-UHFFFAOYSA-N 1 2 580.132 3.722 1 0 KHAFLO C[NH+]1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 ZINC000059254589 562701893 /nfs/dbraw/zinc/70/18/93/562701893.db2.gz XEOOLDLJXYEALJ-UHFFFAOYSA-N 1 2 578.116 3.616 1 0 KHAFLO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2c2nc(N3CCOCC3)cc(N3CCOCC3)[nH+]2)cc1 ZINC000064245723 562704553 /nfs/dbraw/zinc/70/45/53/562704553.db2.gz PVIHGJMPKOGYLJ-GDLZYMKVSA-N 1 2 526.641 3.792 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264509 562704718 /nfs/dbraw/zinc/70/47/18/562704718.db2.gz LPLKUNYEQCZRIO-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264509 562704717 /nfs/dbraw/zinc/70/47/17/562704717.db2.gz LPLKUNYEQCZRIO-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264511 562704727 /nfs/dbraw/zinc/70/47/27/562704727.db2.gz LPLKUNYEQCZRIO-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264511 562704726 /nfs/dbraw/zinc/70/47/26/562704726.db2.gz LPLKUNYEQCZRIO-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264608 562704735 /nfs/dbraw/zinc/70/47/35/562704735.db2.gz BPPMDEYCOQFVTC-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264608 562704734 /nfs/dbraw/zinc/70/47/34/562704734.db2.gz BPPMDEYCOQFVTC-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264609 562704695 /nfs/dbraw/zinc/70/46/95/562704695.db2.gz BPPMDEYCOQFVTC-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C1CC1)c1ccc(F)cc1F ZINC000064264609 562704694 /nfs/dbraw/zinc/70/46/94/562704694.db2.gz BPPMDEYCOQFVTC-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C1CC1)c1ccc(F)cc1F ZINC000064287015 562704715 /nfs/dbraw/zinc/70/47/15/562704715.db2.gz CBONYYMNTJXFJN-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C1CC1)c1ccc(F)cc1F ZINC000064287015 562704714 /nfs/dbraw/zinc/70/47/14/562704714.db2.gz CBONYYMNTJXFJN-XMMPIXPASA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C1CC1)c1ccc(F)cc1F ZINC000064287017 562704691 /nfs/dbraw/zinc/70/46/91/562704691.db2.gz CBONYYMNTJXFJN-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO O[C@](Cn1cncn1)(C[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C1CC1)c1ccc(F)cc1F ZINC000064287017 562704690 /nfs/dbraw/zinc/70/46/90/562704690.db2.gz CBONYYMNTJXFJN-DEOSSOPVSA-N 1 2 544.404 3.511 1 0 KHAFLO COc1c(NC(=O)[C@@H](O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc32)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000064298250 562704732 /nfs/dbraw/zinc/70/47/32/562704732.db2.gz NIVRDLOXIPGGEJ-MHZLTWQESA-N 1 2 585.723 3.901 1 0 KHAFLO C[C@H]([NH2+]C1CC1)c1cc(N2CCN(C)C2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000064373521 562704917 /nfs/dbraw/zinc/70/49/17/562704917.db2.gz FQCFJEIUSGDRSI-HNNXBMFYSA-N 1 2 534.617 3.938 1 0 KHAFLO C[C@@H]1C[N@@H+](C)CCN1c1cc(N2CCCOC2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000064379507 562704902 /nfs/dbraw/zinc/70/49/02/562704902.db2.gz OCXNURLGADLXON-QGZVFWFLSA-N 1 2 564.643 3.741 1 0 KHAFLO C[C@@H]1C[N@H+](C)CCN1c1cc(N2CCCOC2=O)c2nc(-c3ncc(Cc4ccc(F)cc4)s3)c(O)c(=O)n2c1 ZINC000064379507 562704901 /nfs/dbraw/zinc/70/49/01/562704901.db2.gz OCXNURLGADLXON-QGZVFWFLSA-N 1 2 564.643 3.741 1 0 KHAFLO COCCCN1C(=O)CO[C@H]2C=CC(SC[C@H]3C[NH2+]CC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)=C[C@H]21 ZINC000064446671 562705284 /nfs/dbraw/zinc/70/52/84/562705284.db2.gz HSJWUUYRCREWLB-VUSUJWAUSA-N 1 2 637.799 3.805 1 0 KHAFLO COCCCN1C(=O)CO[C@H]2C=CC(SC[C@H]3C[NH2+]CC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)=C[C@@H]21 ZINC000064446674 562705323 /nfs/dbraw/zinc/70/53/23/562705323.db2.gz HSJWUUYRCREWLB-IUAHSIEASA-N 1 2 637.799 3.805 1 0 KHAFLO COCCCN1C(=O)CO[C@@H]2C=CC(SC[C@H]3C[NH2+]CC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)=C[C@H]21 ZINC000064446676 562705286 /nfs/dbraw/zinc/70/52/86/562705286.db2.gz HSJWUUYRCREWLB-FTOUHTJISA-N 1 2 637.799 3.805 1 0 KHAFLO COCCCN1C(=O)CO[C@@H]2C=CC(SC[C@H]3C[NH2+]CC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)=C[C@@H]21 ZINC000064446678 562705295 /nfs/dbraw/zinc/70/52/95/562705295.db2.gz HSJWUUYRCREWLB-FRVZOEQDSA-N 1 2 637.799 3.805 1 0 KHAFLO COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(N3CCOCC3)cc(N3CCOCC3)[nH+]2)cc1OC ZINC000064446826 562705302 /nfs/dbraw/zinc/70/53/02/562705302.db2.gz SQOLFLXPPXNZLE-PMERELPUSA-N 1 2 556.667 3.800 1 0 KHAFLO CS(=O)(=O)Nc1ccc2nc(C[NH+]3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1 ZINC000064512269 562706237 /nfs/dbraw/zinc/70/62/37/562706237.db2.gz ZJNLXQGQBWLKIU-UHFFFAOYSA-N 1 2 524.428 3.994 1 0 KHAFLO Cc1ccc(CNC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)cc1 ZINC000064527191 562706791 /nfs/dbraw/zinc/70/67/91/562706791.db2.gz LNDWDSRIKMTMOH-UHFFFAOYSA-N 1 2 592.751 3.615 1 0 KHAFLO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000064540325 562707740 /nfs/dbraw/zinc/70/77/40/562707740.db2.gz WOWBDVWWSBMFRA-UHFFFAOYSA-N 1 2 575.739 3.661 1 0 KHAFLO NS(=O)(=O)c1cccnc1N1CCc2[nH+]c(N3CCCCC3)nc(Nc3ccc(C(F)(F)F)cc3)c2CC1 ZINC000064559131 562708354 /nfs/dbraw/zinc/70/83/54/562708354.db2.gz DLYRQZSRSNAJED-UHFFFAOYSA-N 1 2 547.607 3.877 1 0 KHAFLO Cc1cc(C2(c3cc(C)c(OC[C@H](O)C[NH+]4CCOCC4)c(C)c3)CCCC2)cc(C)c1OC[C@H](O)CN1CCOCC1 ZINC000064744421 562709144 /nfs/dbraw/zinc/70/91/44/562709144.db2.gz GBTLWIWGPDOCLQ-ROJLCIKYSA-N 1 2 596.809 3.924 1 0 KHAFLO Cc1cc(C2(c3cc(C)c(OC[C@@H](O)C[NH+]4CCOCC4)c(C)c3)CCCC2)cc(C)c1OC[C@@H](O)CN1CCOCC1 ZINC000064744426 562709119 /nfs/dbraw/zinc/70/91/19/562709119.db2.gz GBTLWIWGPDOCLQ-ACHIHNKUSA-N 1 2 596.809 3.924 1 0 KHAFLO CNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@H](COC)C2)c(Cl)c1 ZINC000066066513 562709432 /nfs/dbraw/zinc/70/94/32/562709432.db2.gz QQLBKYNSZMSSMU-QFIPXVFZSA-N 1 2 506.478 3.550 1 0 KHAFLO CNC(=O)c1cnc(N2CC[N@@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@H](COC)C2)c(Cl)c1 ZINC000066066513 562709431 /nfs/dbraw/zinc/70/94/31/562709431.db2.gz QQLBKYNSZMSSMU-QFIPXVFZSA-N 1 2 506.478 3.550 1 0 KHAFLO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCC[N@@H+](Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066516 562709412 /nfs/dbraw/zinc/70/94/12/562709412.db2.gz RPPHKENVINJTNJ-LBPRGKRZSA-N 1 2 504.538 3.554 1 0 KHAFLO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCC[N@H+](Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066516 562709411 /nfs/dbraw/zinc/70/94/11/562709411.db2.gz RPPHKENVINJTNJ-LBPRGKRZSA-N 1 2 504.538 3.554 1 0 KHAFLO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCC[N@@H+](Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066517 562709438 /nfs/dbraw/zinc/70/94/38/562709438.db2.gz RPPHKENVINJTNJ-GFCCVEGCSA-N 1 2 504.538 3.554 1 0 KHAFLO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCC[N@H+](Cc4cc(F)c(F)cc4F)C3)cc1-2 ZINC000066066517 562709437 /nfs/dbraw/zinc/70/94/37/562709437.db2.gz RPPHKENVINJTNJ-GFCCVEGCSA-N 1 2 504.538 3.554 1 0 KHAFLO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)C[N@@H+](C)[C@]12C(=O)Nc1ccccc12 ZINC000066098636 562710958 /nfs/dbraw/zinc/71/09/58/562710958.db2.gz PMEUWFLZRKCYOU-ZIEDGPKMSA-N 1 2 525.605 3.783 1 0 KHAFLO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)C[N@H+](C)[C@]12C(=O)Nc1ccccc12 ZINC000066098636 562710957 /nfs/dbraw/zinc/71/09/57/562710957.db2.gz PMEUWFLZRKCYOU-ZIEDGPKMSA-N 1 2 525.605 3.783 1 0 KHAFLO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3OC)ncc2Cl)c1 ZINC000066099608 562711115 /nfs/dbraw/zinc/71/11/15/562711115.db2.gz KHSOVSPRZJXEJX-UHFFFAOYSA-N 1 2 553.019 3.861 1 0 KHAFLO COc1ccc(CNC(=O)[C@@H](CCO)[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000066112259 562711978 /nfs/dbraw/zinc/71/19/78/562711978.db2.gz TWLMFIIBVTZWOS-HHHXNRCGSA-N 1 2 509.597 3.748 1 0 KHAFLO COc1ccc(CNC(=O)[C@H](CCO)[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000066112260 562711989 /nfs/dbraw/zinc/71/19/89/562711989.db2.gz TWLMFIIBVTZWOS-MHZLTWQESA-N 1 2 509.597 3.748 1 0 KHAFLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000066136564 562713228 /nfs/dbraw/zinc/71/32/28/562713228.db2.gz KPGCCIDPBAMQAJ-UHFFFAOYSA-N 1 2 514.445 3.673 1 0 KHAFLO COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H]([NH3+])Cc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000066252662 562714828 /nfs/dbraw/zinc/71/48/28/562714828.db2.gz YVGLMLHIGZDTGR-FVQHSINGSA-N 1 2 537.609 3.550 1 0 KHAFLO COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H]([NH3+])[C@H](C)OC(C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000066259913 562715386 /nfs/dbraw/zinc/71/53/86/562715386.db2.gz TUUWNNXVAJNWDD-SZCOGUAASA-N 1 2 547.645 3.511 1 0 KHAFLO C[NH+](C)CC(=O)OCCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000066262405 562715499 /nfs/dbraw/zinc/71/54/99/562715499.db2.gz ITJQMGMRRWAUCN-QEMZJVQQSA-N 1 2 597.867 3.731 1 0 KHAFLO Cn1c[nH+]cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(CC1CC1)c2=O ZINC000068045308 562715692 /nfs/dbraw/zinc/71/56/92/562715692.db2.gz LTQJNQDKHOMARK-UHFFFAOYSA-N 1 2 516.005 3.830 1 0 KHAFLO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000068196904 562715874 /nfs/dbraw/zinc/71/58/74/562715874.db2.gz QJYYBJJIRLBFHF-UHFFFAOYSA-N 1 2 508.575 3.710 1 0 KHAFLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198646 562715947 /nfs/dbraw/zinc/71/59/47/562715947.db2.gz JBMWLVNTMXBRFG-VCTRWQRLSA-N 1 2 583.639 3.803 1 0 KHAFLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198648 562715949 /nfs/dbraw/zinc/71/59/49/562715949.db2.gz JBMWLVNTMXBRFG-CMVGPNDKSA-N 1 2 583.639 3.803 1 0 KHAFLO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)ccc3C)c[nH]c-2n1 ZINC000068245476 562716096 /nfs/dbraw/zinc/71/60/96/562716096.db2.gz PDFXGSFJBYPVSI-UHFFFAOYSA-N 1 2 540.624 3.910 1 0 KHAFLO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000068245476 562716095 /nfs/dbraw/zinc/71/60/95/562716095.db2.gz PDFXGSFJBYPVSI-UHFFFAOYSA-N 1 2 540.624 3.910 1 0 KHAFLO CC(C)(C)OC(=O)N1CCC(Sc2[nH+]cnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000071296296 562717484 /nfs/dbraw/zinc/71/74/84/562717484.db2.gz KRCCTTRJUJRZKA-UHFFFAOYSA-N 1 2 507.613 3.850 1 0 in-vitro KHAFLO CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(NC(C)(C)C)n4)CC3)c(F)c21 ZINC000071316713 562717992 /nfs/dbraw/zinc/71/79/92/562717992.db2.gz DCMZSRAXQPGCQC-UHFFFAOYSA-N 1 2 500.550 3.633 1 0 KHAFLO CCCCNc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(CC)c4c3F)CC2)cc(C)[nH+]1 ZINC000071317082 562718081 /nfs/dbraw/zinc/71/80/81/562718081.db2.gz OHKOVSNUXKAVQN-UHFFFAOYSA-N 1 2 500.550 3.635 1 0 KHAFLO O=C1CN(c2ccc(C[NH+]3CCOCC3)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071317962 562718356 /nfs/dbraw/zinc/71/83/56/562718356.db2.gz YPASXLMMOKCJMY-MXBOTTGLSA-N 1 2 550.615 3.618 1 0 KHAFLO CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1[nH+]cnc2c1cnn2-c1ccc(S(C)(=O)=O)cc1 ZINC000071319039 562718709 /nfs/dbraw/zinc/71/87/09/562718709.db2.gz VKOBKLHGFJEPIN-UHFFFAOYSA-N 1 2 514.652 3.692 1 0 KHAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000071340924 562719867 /nfs/dbraw/zinc/71/98/67/562719867.db2.gz FYWKHBUXBKRZTF-LGPLSSKUSA-N 1 2 553.084 3.810 1 0 KHAFLO Cc1[nH+]c2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000071341123 562719892 /nfs/dbraw/zinc/71/98/92/562719892.db2.gz RYVDXBBSZXFYKP-ZRJLEYOISA-N 1 2 533.028 3.689 1 0 KHAFLO Cc1[nH+]c2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000071341124 562719895 /nfs/dbraw/zinc/71/98/95/562719895.db2.gz RYVDXBBSZXFYKP-WYMJOSIYSA-N 1 2 533.028 3.689 1 0 KHAFLO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072104785 562720592 /nfs/dbraw/zinc/72/05/92/562720592.db2.gz AYZYGPKOTBVFSE-SFHVURJKSA-N 1 2 520.436 3.848 1 0 KHAFLO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072104786 562720627 /nfs/dbraw/zinc/72/06/27/562720627.db2.gz AYZYGPKOTBVFSE-GOSISDBHSA-N 1 2 520.436 3.848 1 0 KHAFLO COc1ccccc1-n1c(C)nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072106403 562721022 /nfs/dbraw/zinc/72/10/22/562721022.db2.gz MMAQGTSQMRXGFK-IBGZPJMESA-N 1 2 532.472 3.717 1 0 KHAFLO COc1ccccc1-n1c(C)nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072106404 562720990 /nfs/dbraw/zinc/72/09/90/562720990.db2.gz MMAQGTSQMRXGFK-LJQANCHMSA-N 1 2 532.472 3.717 1 0 KHAFLO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107627 562721352 /nfs/dbraw/zinc/72/13/52/562721352.db2.gz XHUKOBZKSOYMFB-HHHXNRCGSA-N 1 2 530.595 3.924 1 0 KHAFLO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107628 562721356 /nfs/dbraw/zinc/72/13/56/562721356.db2.gz XHUKOBZKSOYMFB-MHZLTWQESA-N 1 2 530.595 3.924 1 0 KHAFLO O=C(Cc1ccccc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107654 562721341 /nfs/dbraw/zinc/72/13/41/562721341.db2.gz GCBWCJLNGXOOBO-GDLZYMKVSA-N 1 2 550.585 3.587 1 0 KHAFLO O=C(Cc1ccccc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107655 562721324 /nfs/dbraw/zinc/72/13/24/562721324.db2.gz GCBWCJLNGXOOBO-LJAQVGFWSA-N 1 2 550.585 3.587 1 0 KHAFLO Cc1c2c(c(C)n1-c1ccccc1)c(=O)n(CC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)[nH]c2=O ZINC000072116241 562723062 /nfs/dbraw/zinc/72/30/62/562723062.db2.gz IYKVWXPIMLBXJE-UHFFFAOYSA-N 1 2 511.548 3.938 1 0 KHAFLO CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000072116321 562723096 /nfs/dbraw/zinc/72/30/96/562723096.db2.gz LOTOXFPXFBWQKS-AHWVRZQESA-N 1 2 543.624 3.532 1 0 KHAFLO [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118862 562723719 /nfs/dbraw/zinc/72/37/19/562723719.db2.gz PBBDHOVVSPAWES-AHWVRZQESA-N 1 2 576.053 3.966 1 0 KHAFLO COC(=O)Cn1cc(C[NH+]2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072121211 562724134 /nfs/dbraw/zinc/72/41/34/562724134.db2.gz CQNOZHKESCJWOZ-UHFFFAOYSA-N 1 2 698.159 3.868 1 0 KHAFLO CN(C)C(=O)Cn1cc(C[NH+]2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072122191 562724467 /nfs/dbraw/zinc/72/44/67/562724467.db2.gz FDTCEVMDYIUCHS-UHFFFAOYSA-N 1 2 711.202 3.784 1 0 KHAFLO CCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072141060 562729262 /nfs/dbraw/zinc/72/92/62/562729262.db2.gz NHTDQTZHTCWPRB-AREMUKBSSA-N 1 2 516.568 3.534 1 0 KHAFLO CCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072141061 562729240 /nfs/dbraw/zinc/72/92/40/562729240.db2.gz NHTDQTZHTCWPRB-SANMLTNESA-N 1 2 516.568 3.534 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc3ccccc3c2)c(OCc2c[nH]c[nH+]2)c1)C(=O)[O-] ZINC000072142791 562729602 /nfs/dbraw/zinc/72/96/02/562729602.db2.gz MNKJVFSOEVTWMI-HNEHEIDXSA-N 1 2 543.624 3.880 1 0 KHAFLO O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000072175790 562731411 /nfs/dbraw/zinc/73/14/11/562731411.db2.gz SCXJWIMTVIDIFS-UHFFFAOYSA-N 1 2 547.637 3.841 1 0 KHAFLO Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)[nH+]1 ZINC000072176060 562731511 /nfs/dbraw/zinc/73/15/11/562731511.db2.gz KFRUZRAQPBNGME-UHFFFAOYSA-N 1 2 505.604 3.681 1 0 KHAFLO O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072177861 562731931 /nfs/dbraw/zinc/73/19/31/562731931.db2.gz PTGDNBWLPMBSTB-UHFFFAOYSA-N 1 2 517.611 3.962 1 0 KHAFLO COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH+]c3ccc(N(C)C)cn32)n1 ZINC000072178937 562732215 /nfs/dbraw/zinc/73/22/15/562732215.db2.gz FQVBSUZPKJKZTD-UHFFFAOYSA-N 1 2 521.025 3.931 1 0 KHAFLO COc1ccc2[nH+]cc(-c3nc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4OC)ncc3Cl)n2c1 ZINC000072179151 562732245 /nfs/dbraw/zinc/73/22/45/562732245.db2.gz USTYCAYMLDJVPF-UHFFFAOYSA-N 1 2 507.982 3.874 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072181174 562732655 /nfs/dbraw/zinc/73/26/55/562732655.db2.gz MQWHYEKERKXFQY-RPWUZVMVSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072181174 562732654 /nfs/dbraw/zinc/73/26/54/562732654.db2.gz MQWHYEKERKXFQY-RPWUZVMVSA-N 1 2 574.642 3.857 1 0 KHAFLO CS(=O)(=O)N(CCC[NH+]1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 ZINC000072181274 562732698 /nfs/dbraw/zinc/73/26/98/562732698.db2.gz SPTNJNJCNRTHDY-UHFFFAOYSA-N 1 2 527.695 3.954 1 0 KHAFLO CCC(C)(C)O[C@H]1C[N@@H+](CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072181381 562732703 /nfs/dbraw/zinc/73/27/03/562732703.db2.gz MXYMWTPPSBKBGN-VXKWHMMOSA-N 1 2 550.689 3.844 1 0 KHAFLO CCC(C)(C)O[C@H]1C[N@H+](CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072181381 562732702 /nfs/dbraw/zinc/73/27/02/562732702.db2.gz MXYMWTPPSBKBGN-VXKWHMMOSA-N 1 2 550.689 3.844 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](Oc5ccc(F)cc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182075 562732799 /nfs/dbraw/zinc/73/27/99/562732799.db2.gz NSWYQWBLEMTVKT-UPVQGACJSA-N 1 2 592.632 3.996 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](Oc5ccc(F)cc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182075 562732798 /nfs/dbraw/zinc/73/27/98/562732798.db2.gz NSWYQWBLEMTVKT-UPVQGACJSA-N 1 2 592.632 3.996 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](Oc5cc(F)cc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182076 562732810 /nfs/dbraw/zinc/73/28/10/562732810.db2.gz NLXAJRNAHYRPPY-ZEQRLZLVSA-N 1 2 592.632 3.996 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](Oc5cc(F)cc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182076 562732809 /nfs/dbraw/zinc/73/28/09/562732809.db2.gz NLXAJRNAHYRPPY-ZEQRLZLVSA-N 1 2 592.632 3.996 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](OC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182185 562732856 /nfs/dbraw/zinc/73/28/56/562732856.db2.gz OAOPWYXDCLIWEH-GOTSBHOMSA-N 1 2 548.673 3.598 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](OC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182185 562732855 /nfs/dbraw/zinc/73/28/55/562732855.db2.gz OAOPWYXDCLIWEH-GOTSBHOMSA-N 1 2 548.673 3.598 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](Oc5cccc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182369 562732825 /nfs/dbraw/zinc/73/28/25/562732825.db2.gz OGDURDWHHQUSDO-ZEQRLZLVSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](Oc5cccc(F)c5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182369 562732824 /nfs/dbraw/zinc/73/28/24/562732824.db2.gz OGDURDWHHQUSDO-ZEQRLZLVSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182370 562732853 /nfs/dbraw/zinc/73/28/53/562732853.db2.gz MQWHYEKERKXFQY-ZEQRLZLVSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182370 562732852 /nfs/dbraw/zinc/73/28/52/562732852.db2.gz MQWHYEKERKXFQY-ZEQRLZLVSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](O)[C@@H](Oc5ccccc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182484 562732820 /nfs/dbraw/zinc/73/28/20/562732820.db2.gz HIXRSEFUZBICPP-UPVQGACJSA-N 1 2 574.642 3.857 1 0 KHAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](O)[C@@H](Oc5ccccc5F)C4)cc3)nn3cccc23)n[nH]1 ZINC000072182484 562732819 /nfs/dbraw/zinc/73/28/19/562732819.db2.gz HIXRSEFUZBICPP-UPVQGACJSA-N 1 2 574.642 3.857 1 0 KHAFLO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000072318151 562733218 /nfs/dbraw/zinc/73/32/18/562733218.db2.gz CMLXXBAEHGHZRO-UHFFFAOYSA-N 1 2 653.759 3.684 1 0 KHAFLO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)n(C)c3)nc2)cc1 ZINC000073140645 562733684 /nfs/dbraw/zinc/73/36/84/562733684.db2.gz JCCCJXQUDHRCHU-SNAWJCMRSA-N 1 2 611.703 3.504 1 0 KHAFLO CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000073165174 562734368 /nfs/dbraw/zinc/73/43/68/562734368.db2.gz GRRCOGFTBIVTID-UHFFFAOYSA-N 1 2 518.064 3.730 1 0 KHAFLO CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000073165174 562734367 /nfs/dbraw/zinc/73/43/67/562734367.db2.gz GRRCOGFTBIVTID-UHFFFAOYSA-N 1 2 518.064 3.730 1 0 KHAFLO CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000073166215 562734486 /nfs/dbraw/zinc/73/44/86/562734486.db2.gz HWLDZTMEGNMIAD-UHFFFAOYSA-N 1 2 518.064 3.730 1 0 KHAFLO CN(C)C(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000073166215 562734485 /nfs/dbraw/zinc/73/44/85/562734485.db2.gz HWLDZTMEGNMIAD-UHFFFAOYSA-N 1 2 518.064 3.730 1 0 KHAFLO COC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000073166218 562734500 /nfs/dbraw/zinc/73/45/00/562734500.db2.gz UNQKXOVSOMZTIU-UHFFFAOYSA-N 1 2 505.021 3.815 1 0 KHAFLO COC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)c(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000073166218 562734499 /nfs/dbraw/zinc/73/44/99/562734499.db2.gz UNQKXOVSOMZTIU-UHFFFAOYSA-N 1 2 505.021 3.815 1 0 KHAFLO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 ZINC000073170158 562734889 /nfs/dbraw/zinc/73/48/89/562734889.db2.gz AOGQBFWFOJRISL-SLPFSQKISA-N 1 2 580.745 3.768 1 0 KHAFLO O=C(NCc1ccccc1Cl)[C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000073196986 562735220 /nfs/dbraw/zinc/73/52/20/562735220.db2.gz DSGKFVASZGYMHP-AREMUKBSSA-N 1 2 508.018 3.947 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)NCc2ccccc2Cl)cc1 ZINC000073196987 562735229 /nfs/dbraw/zinc/73/52/29/562735229.db2.gz RQGDBMSLAPKORS-AREMUKBSSA-N 1 2 538.044 3.956 1 0 KHAFLO COc1c(C)nccc1CN(C(=O)[C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)C1CC1 ZINC000073197332 562735321 /nfs/dbraw/zinc/73/53/21/562735321.db2.gz BCQFAHMAIVZASL-GDLZYMKVSA-N 1 2 558.679 3.880 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2ccnc(C)c2OC)C2CC2)cc1 ZINC000073197333 562735345 /nfs/dbraw/zinc/73/53/45/562735345.db2.gz YENVMOZBBNYFAW-GDLZYMKVSA-N 1 2 588.705 3.889 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(C)CCc2ccccc2)cc1 ZINC000073197351 562735314 /nfs/dbraw/zinc/73/53/14/562735314.db2.gz PLUXTJQZYVYMCL-MUUNZHRXSA-N 1 2 531.653 3.687 1 0 KHAFLO CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073197428 562735371 /nfs/dbraw/zinc/73/53/71/562735371.db2.gz JNKCOZHMWBCFON-GDLZYMKVSA-N 1 2 589.092 3.829 1 0 KHAFLO COc1cccc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1C ZINC000073197460 562735357 /nfs/dbraw/zinc/73/53/57/562735357.db2.gz JJHOLBCNXAYWHZ-HHHXNRCGSA-N 1 2 527.621 3.857 1 0 KHAFLO CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073197529 562735365 /nfs/dbraw/zinc/73/53/65/562735365.db2.gz JUHUFOXVKPOSAT-GDLZYMKVSA-N 1 2 603.119 3.872 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2ccccc2Cl)C2CC2)cn1 ZINC000073197759 562735431 /nfs/dbraw/zinc/73/54/31/562735431.db2.gz OVMYCIIYARFAIB-AREMUKBSSA-N 1 2 580.085 3.620 1 0 KHAFLO COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(C)Cc2ccccc2)cc1 ZINC000073197968 562735476 /nfs/dbraw/zinc/73/54/76/562735476.db2.gz ZAYGRAVHQBWLNN-HHHXNRCGSA-N 1 2 517.626 3.644 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cccc(Cl)c2)C2CC2)cn1 ZINC000073198695 562735851 /nfs/dbraw/zinc/73/58/51/562735851.db2.gz MHIPQWJQIBVUMT-AREMUKBSSA-N 1 2 580.085 3.620 1 0 KHAFLO CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073198926 562735940 /nfs/dbraw/zinc/73/59/40/562735940.db2.gz YGUGOFWDLOPSTD-GDLZYMKVSA-N 1 2 603.119 3.872 1 0 KHAFLO COc1cc(/C=C2\CCCN3C2=NO[C@]3(CN(C)S(C)(=O)=O)c2ccc(F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000073200385 562736107 /nfs/dbraw/zinc/73/61/07/562736107.db2.gz LZSBLSJQJHXKLB-XHBHTSLYSA-N 1 2 539.633 3.896 1 0 KHAFLO CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4nc[nH+]c(N)c34)n2)[C@H]1c1ccc(F)cc1 ZINC000073219542 562736194 /nfs/dbraw/zinc/73/61/94/562736194.db2.gz PLZWVXKEQYGKTJ-AUSIDOKSSA-N 1 2 502.554 3.529 1 0 KHAFLO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CC1 ZINC000073222189 562736393 /nfs/dbraw/zinc/73/63/93/562736393.db2.gz PQOMLLJCHJRAQL-UHFFFAOYSA-N 1 2 555.100 3.953 1 0 KHAFLO CC[NH+]1CCN(C(=O)c2ccc(CCNC(=O)c3ccc(O)c4nc(-c5cccs5)[nH]c43)cc2)CC1 ZINC000073311725 562737837 /nfs/dbraw/zinc/73/78/37/562737837.db2.gz QDFXOCRBJHKAQV-UHFFFAOYSA-N 1 2 503.628 3.747 1 0 KHAFLO CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082140519 562739488 /nfs/dbraw/zinc/73/94/88/562739488.db2.gz HNBUZMMJDWRYRA-GDLZYMKVSA-N 1 2 665.191 3.647 1 0 KHAFLO COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082148869 562739654 /nfs/dbraw/zinc/73/96/54/562739654.db2.gz UFJPNTCHUDFJFV-LJAQVGFWSA-N 1 2 638.165 3.809 1 0 KHAFLO CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082150583 562739790 /nfs/dbraw/zinc/73/97/90/562739790.db2.gz OPKJAHSDHSZJDJ-GDLZYMKVSA-N 1 2 681.190 3.519 1 0 KHAFLO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)C[NH2+]C[C@@H]3C(=O)NCc3ccccc3)cn2)c(Cl)c1 ZINC000082150945 562739865 /nfs/dbraw/zinc/73/98/65/562739865.db2.gz LXSPXKHJUVGPDJ-JOCHJYFZSA-N 1 2 529.424 3.776 1 0 KHAFLO COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082151719 562739955 /nfs/dbraw/zinc/73/99/55/562739955.db2.gz FXAHSZWUKVBYEI-GDLZYMKVSA-N 1 2 681.190 3.519 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cn1 ZINC000082153390 562740148 /nfs/dbraw/zinc/74/01/48/562740148.db2.gz YVNZZELYXXBNAD-AREMUKBSSA-N 1 2 580.085 3.620 1 0 KHAFLO CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082154433 562740331 /nfs/dbraw/zinc/74/03/31/562740331.db2.gz WWAFFSIDECGDEI-SSEXGKCCSA-N 1 2 603.119 3.872 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)cn1 ZINC000082155541 562740576 /nfs/dbraw/zinc/74/05/76/562740576.db2.gz AUDHCGVXSKTDTM-MUUNZHRXSA-N 1 2 573.694 3.584 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CNC(=O)C3CC3)ccc2Cl)C2CC2)cn1 ZINC000082156673 562740769 /nfs/dbraw/zinc/74/07/69/562740769.db2.gz JSAZFZQHDLHNHU-SSEXGKCCSA-N 1 2 677.202 3.647 1 0 KHAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c(Cl)cn1 ZINC000082156876 562740779 /nfs/dbraw/zinc/74/07/79/562740779.db2.gz KPIMLPLGDIPIRZ-GDLZYMKVSA-N 1 2 653.180 3.594 1 0 KHAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]CC(F)F)ccc2Cl)C2CC2)cn1 ZINC000082157422 562740920 /nfs/dbraw/zinc/74/09/20/562740920.db2.gz VULODVFKMMIUHC-MUUNZHRXSA-N 1 2 673.161 3.975 1 0 KHAFLO CN(CCc1ccccc1)C(=O)[C@H]1C[NH2+]CC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000082158862 562741143 /nfs/dbraw/zinc/74/11/43/562741143.db2.gz MDZBNLLXLAHHRL-MUUNZHRXSA-N 1 2 501.627 3.678 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCN2C(=O)c3cc(I)ccc3[C@]2(O)c2ccccc2)CC1 ZINC000084462588 562743154 /nfs/dbraw/zinc/74/31/54/562743154.db2.gz VGIIBQADLRLVDG-HHHXNRCGSA-N 1 2 569.443 3.771 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCN2C(=O)c3cc(I)ccc3[C@@]2(O)c2ccccc2)CC1 ZINC000084462589 562743189 /nfs/dbraw/zinc/74/31/89/562743189.db2.gz VGIIBQADLRLVDG-MHZLTWQESA-N 1 2 569.443 3.771 1 0 KHAFLO Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC[N@H+]1CCNC(=O)C1 ZINC000084466267 562743152 /nfs/dbraw/zinc/74/31/52/562743152.db2.gz CAFYZCZCHHPSHG-UHFFFAOYSA-N 1 2 521.927 3.822 1 0 KHAFLO Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC[N@@H+]1CCNC(=O)C1 ZINC000084466267 562743151 /nfs/dbraw/zinc/74/31/51/562743151.db2.gz CAFYZCZCHHPSHG-UHFFFAOYSA-N 1 2 521.927 3.822 1 0 KHAFLO CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/n4cc[nH+]c4)CC3=CC[C@]12O ZINC000084586906 562743471 /nfs/dbraw/zinc/74/34/71/562743471.db2.gz PPKKFLAJTVDRCE-USHCYMFYSA-N 1 2 610.748 3.902 1 0 KHAFLO COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CN(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084616663 562744665 /nfs/dbraw/zinc/74/46/65/562744665.db2.gz GETQQHOXYHVVJK-PBHICJAKSA-N 1 2 502.419 3.962 1 0 KHAFLO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084616891 562744689 /nfs/dbraw/zinc/74/46/89/562744689.db2.gz IUFIHIITIVUXHU-UHFFFAOYSA-N 1 2 589.202 3.851 1 0 KHAFLO CC(=O)N1CCC(C(=O)N(CCCN2CC[NH+](Cc3ccncc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084620043 562745369 /nfs/dbraw/zinc/74/53/69/562745369.db2.gz JGDKPXKBBKEBOH-UHFFFAOYSA-N 1 2 512.098 3.843 1 0 KHAFLO CN(C)S(=O)(=O)c1ccc(NC(=S)N2CC[NH+]([C@H]3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 ZINC000084652619 562746604 /nfs/dbraw/zinc/74/66/04/562746604.db2.gz PROMNPKEVXVXDQ-RUZDIDTESA-N 1 2 535.695 3.607 1 0 KHAFLO CN(C)S(=O)(=O)c1ccc(NC(=S)N2CC[NH+]([C@@H]3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 ZINC000084652620 562746611 /nfs/dbraw/zinc/74/66/11/562746611.db2.gz PROMNPKEVXVXDQ-VWLOTQADSA-N 1 2 535.695 3.607 1 0 KHAFLO CCOC(=O)C[N@@H+](CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653961 562747108 /nfs/dbraw/zinc/74/71/08/562747108.db2.gz HPJURBHZHMRPFE-XMMPIXPASA-N 1 2 553.404 3.541 1 0 KHAFLO CCOC(=O)C[N@H+](CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653961 562747107 /nfs/dbraw/zinc/74/71/07/562747107.db2.gz HPJURBHZHMRPFE-XMMPIXPASA-N 1 2 553.404 3.541 1 0 KHAFLO CCOC(=O)C[N@@H+](CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653962 562747114 /nfs/dbraw/zinc/74/71/14/562747114.db2.gz HPJURBHZHMRPFE-DEOSSOPVSA-N 1 2 553.404 3.541 1 0 KHAFLO CCOC(=O)C[N@H+](CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084653962 562747113 /nfs/dbraw/zinc/74/71/13/562747113.db2.gz HPJURBHZHMRPFE-DEOSSOPVSA-N 1 2 553.404 3.541 1 0 KHAFLO C/C=C1\C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5OC(C)=O ZINC000084654240 562747234 /nfs/dbraw/zinc/74/72/34/562747234.db2.gz RFEYKMMVMCHTDY-CVEBZHOXSA-N 1 2 588.657 3.507 1 0 KHAFLO C/C=C1\C[N@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5OC(C)=O ZINC000084654240 562747233 /nfs/dbraw/zinc/74/72/33/562747233.db2.gz RFEYKMMVMCHTDY-CVEBZHOXSA-N 1 2 588.657 3.507 1 0 KHAFLO CC(C)(C)OC(=O)C[N@@H+](CCCOc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670433 562748280 /nfs/dbraw/zinc/74/82/80/562748280.db2.gz VXGHFHIQAWKMRA-AREMUKBSSA-N 1 2 502.562 3.557 1 0 KHAFLO CC(C)(C)OC(=O)C[N@H+](CCCOc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670433 562748279 /nfs/dbraw/zinc/74/82/79/562748279.db2.gz VXGHFHIQAWKMRA-AREMUKBSSA-N 1 2 502.562 3.557 1 0 KHAFLO CC(C)(C)OC(=O)C[N@@H+](CCCOc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670434 562748273 /nfs/dbraw/zinc/74/82/73/562748273.db2.gz VXGHFHIQAWKMRA-SANMLTNESA-N 1 2 502.562 3.557 1 0 KHAFLO CC(C)(C)OC(=O)C[N@H+](CCCOc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084670434 562748272 /nfs/dbraw/zinc/74/82/72/562748272.db2.gz VXGHFHIQAWKMRA-SANMLTNESA-N 1 2 502.562 3.557 1 0 KHAFLO O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCC[NH+]4CCOCC4)cc3)n[nH]2)cc1)OCc1cccnc1 ZINC000084670456 562748285 /nfs/dbraw/zinc/74/82/85/562748285.db2.gz JOUDYLFKJIFHRC-UHFFFAOYSA-N 1 2 556.623 3.861 1 0 KHAFLO COc1cc(C[NH+]2CCN(CC(=O)Nc3ccc4c(c3)CCc3n[nH]c(=O)n3-4)CC2)ccc1Cc1ccc(Cl)cc1 ZINC000084688403 562749201 /nfs/dbraw/zinc/74/92/01/562749201.db2.gz GIEWETWGNIKTNQ-UHFFFAOYSA-N 1 2 573.097 3.668 1 0 KHAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc2nc(N3CCCC3)oc2c1)OCc1cncs1 ZINC000084690190 562749517 /nfs/dbraw/zinc/74/95/17/562749517.db2.gz RCDVRXHRLWGUQK-URLMMPGGSA-N 1 2 648.786 3.558 1 0 KHAFLO O=C(c1ccccc1)c1ccccc1OC[C@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690211 562749498 /nfs/dbraw/zinc/74/94/98/562749498.db2.gz DDFNGYBINAZREK-RNPORBBMSA-N 1 2 594.708 3.946 1 0 KHAFLO O=C(c1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690211 562749497 /nfs/dbraw/zinc/74/94/97/562749497.db2.gz DDFNGYBINAZREK-RNPORBBMSA-N 1 2 594.708 3.946 1 0 KHAFLO O=C(c1ccccc1)c1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690212 562749521 /nfs/dbraw/zinc/74/95/21/562749521.db2.gz DDFNGYBINAZREK-KYJUHHDHSA-N 1 2 594.708 3.946 1 0 KHAFLO O=C(c1ccccc1)c1ccccc1OC[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C(=O)c2ccccc2)CC1 ZINC000084690213 562749519 /nfs/dbraw/zinc/74/95/19/562749519.db2.gz DDFNGYBINAZREK-LOYHVIPDSA-N 1 2 594.708 3.946 1 0 KHAFLO Cc1cc(COC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCC[NH+]5CCOCC5)cc4)n[nH]3)cc2)no1 ZINC000084710225 562750467 /nfs/dbraw/zinc/75/04/67/562750467.db2.gz AMJQDHGVBVICLP-UHFFFAOYSA-N 1 2 560.611 3.763 1 0 KHAFLO O=c1oc2cc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c3cc2n1CCC[NH+]1CCOCC1 ZINC000084726334 562751310 /nfs/dbraw/zinc/75/13/10/562751310.db2.gz YTJLLAITSOTQFG-UHFFFAOYSA-N 1 2 512.570 3.978 1 0 KHAFLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@H]1c1cc(F)c(Cl)c(F)c1)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000084728489 562751455 /nfs/dbraw/zinc/75/14/55/562751455.db2.gz RFEWOLIROHKSKX-IADCTJSHSA-N 1 2 593.034 3.821 1 0 KHAFLO Cn1c[nH+]cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n(C1CC1)c2=O ZINC000084739985 562752040 /nfs/dbraw/zinc/75/20/40/562752040.db2.gz MQIWUOJGLGRHGX-UHFFFAOYSA-N 1 2 501.978 3.755 1 0 KHAFLO COc1cc([C@H]2Oc3c4c(c5c(c3C[C@H]2O)[C@@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-5)O[C@@H](CO)CC4)ccc1O ZINC000085568104 560070291 /nfs/dbraw/zinc/07/02/91/560070291.db2.gz KJWGCTLFIUTNTN-HYSLAYCWSA-O 1 2 571.650 3.842 1 0 biogenic,in-vitro KHAFLO COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)[C@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-4)ccc1O ZINC000085568147 560070284 /nfs/dbraw/zinc/07/02/84/560070284.db2.gz DLHKGHDSSGYHEX-XOERONJASA-O 1 2 545.612 3.527 1 0 biogenic,in-vitro KHAFLO C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@@H](c2cc(N)ncc2CC(=O)N2CC(C[NH2+]C)C2)[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594614 291798733 /nfs/dbraw/zinc/79/87/33/291798733.db2.gz MVECYEJASBWHBR-ODFVDSGTSA-N 1 2 656.780 3.601 1 0 biogenic,in-vitro KHAFLO C/C=C(\CCO)C(=O)O[C@]1(C)CC=C[C@@H](c2cc(N)[nH+]cc2CC(=O)N2CCC2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594634 560064335 /nfs/dbraw/zinc/06/43/35/560064335.db2.gz IAZGXGOASOYQLF-HEFAPWPCSA-N 1 2 585.657 3.593 1 0 biogenic,in-vitro KHAFLO C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)[nH+]cc2CC(=O)N2CCC2)Cc2cc3cc(CCCO)c(=O)oc3cc2O1 ZINC000085594657 291798725 /nfs/dbraw/zinc/79/87/25/291798725.db2.gz DFQUJRUSEGWMCB-RBLOPXGDSA-N 1 2 589.689 3.674 1 0 biogenic,in-vitro KHAFLO C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)[nH+]cc2CC(=O)N2CCC2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594662 291798730 /nfs/dbraw/zinc/79/87/30/291798730.db2.gz YAMGFAFMJOCWIE-BODCUFOYSA-N 1 2 531.609 3.749 1 0 biogenic,in-vitro KHAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595201 565152666 /nfs/dbraw/zinc/15/26/66/565152666.db2.gz BKVZNLVBOQLHOQ-YHOVZKCPSA-N 1 2 602.640 3.764 1 0 biogenic,in-vitro KHAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595201 565152663 /nfs/dbraw/zinc/15/26/63/565152663.db2.gz BKVZNLVBOQLHOQ-YHOVZKCPSA-N 1 2 602.640 3.764 1 0 biogenic,in-vitro KHAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595203 560064101 /nfs/dbraw/zinc/06/41/01/560064101.db2.gz VGBJIOZHXRCIDJ-LYMNMARTSA-N 1 2 588.613 3.518 1 0 biogenic,in-vitro KHAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595203 560064098 /nfs/dbraw/zinc/06/40/98/560064098.db2.gz VGBJIOZHXRCIDJ-LYMNMARTSA-N 1 2 588.613 3.518 1 0 biogenic,in-vitro KHAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595236 565152870 /nfs/dbraw/zinc/15/28/70/565152870.db2.gz NYFZZBLEDRKHMD-VJNKOSLNSA-N 1 2 602.640 3.612 1 0 biogenic,in-vitro KHAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595236 565152865 /nfs/dbraw/zinc/15/28/65/565152865.db2.gz NYFZZBLEDRKHMD-VJNKOSLNSA-N 1 2 602.640 3.612 1 0 biogenic,in-vitro KHAFLO COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC[C@H]2[NH2+][C@@H](C)CC[C@]2(CC(=O)[O-])Cc2cc[nH+]c(N)c2)c1O ZINC000085596572 291814947 /nfs/dbraw/zinc/81/49/47/291814947.db2.gz BUTKHALSNNPEOM-GCXSPXERSA-N 1 2 681.783 3.849 1 0 biogenic,in-vitro KHAFLO CC[NH2+][C@H](COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1cc[nH+]c(N)c1 ZINC000085596584 565155955 /nfs/dbraw/zinc/15/59/55/565155955.db2.gz USASJUBRPZWOCV-LUUVBJOYSA-N 1 2 683.799 3.605 1 0 biogenic,in-vitro KHAFLO CC[NH2+][C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O)[C@H]1[C@H](c2cc[nH+]c(N)c2)C=C[C@@H]1C(=O)[O-] ZINC000085596588 565155851 /nfs/dbraw/zinc/15/58/51/565155851.db2.gz PJPXQGSKZGSJNW-ZQHVAKAWSA-N 1 2 679.767 3.654 1 0 biogenic,in-vitro KHAFLO CC[NH2+][C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1cc[nH+]c(N)c1 ZINC000085596605 565156095 /nfs/dbraw/zinc/15/60/95/565156095.db2.gz JUMZMZUHKIVALP-VYTBTSRTSA-N 1 2 639.746 3.997 1 0 biogenic,in-vitro KHAFLO CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1cc[nH+]c(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@H](CO)CCC[C@H](CCO)C1 ZINC000085629340 565162166 /nfs/dbraw/zinc/16/21/66/565162166.db2.gz UNLVIBCPNWXLTM-ZROKMFMISA-N 1 2 616.752 3.781 1 0 biogenic,in-vitro KHAFLO CCC[C@H](CO)CCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631388 565164343 /nfs/dbraw/zinc/16/43/43/565164343.db2.gz LYDDGOUBWKAVSW-CSSSHJQASA-N 1 2 618.751 3.883 1 0 biogenic,in-vitro KHAFLO COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1OCC[NH+]1CCOCC1 ZINC000095221839 562753723 /nfs/dbraw/zinc/75/37/23/562753723.db2.gz RMCWQUJIMHDNIZ-QPVYNBJUSA-N 1 2 672.223 3.974 1 0 KHAFLO Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2C[NH+]2CCC(OC(N)=O)CC2)c1 ZINC000095536661 562754009 /nfs/dbraw/zinc/75/40/09/562754009.db2.gz ACDUHEVXXZRNCC-UHFFFAOYSA-N 1 2 511.360 3.757 1 0 KHAFLO O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000095538537 562754900 /nfs/dbraw/zinc/75/49/00/562754900.db2.gz GTNZCKFLPLENNN-KVBYWJEESA-N 1 2 755.775 3.708 1 0 KHAFLO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCCC(=O)NCC[NH+]1CCOCC1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000095539993 562755466 /nfs/dbraw/zinc/75/54/66/562755466.db2.gz ZLZLFECEVCQKPZ-NINLVYDZSA-N 1 2 782.017 3.535 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCc5ccccn5)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000095540438 562755732 /nfs/dbraw/zinc/75/57/32/562755732.db2.gz ZEJGASNRVDPGEN-UHFFFAOYSA-N 1 2 762.297 3.681 1 0 KHAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnc(-c3ccccc3)o2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000095542836 562756860 /nfs/dbraw/zinc/75/68/60/562756860.db2.gz ANEBJGIFIOJABN-AEZBWTHASA-N 1 2 804.267 3.821 1 0 KHAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnc(-c3ccccc3)o2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000095542836 562756859 /nfs/dbraw/zinc/75/68/59/562756859.db2.gz ANEBJGIFIOJABN-AEZBWTHASA-N 1 2 804.267 3.821 1 0 KHAFLO COc1ccc(CN2CC[N@@H+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095542860 562756933 /nfs/dbraw/zinc/75/69/33/562756933.db2.gz WPQGTFWRUQZWSD-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(CN2CC[N@H+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095542860 562756932 /nfs/dbraw/zinc/75/69/32/562756932.db2.gz WPQGTFWRUQZWSD-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095542860 562756931 /nfs/dbraw/zinc/75/69/31/562756931.db2.gz WPQGTFWRUQZWSD-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095542860 562756930 /nfs/dbraw/zinc/75/69/30/562756930.db2.gz WPQGTFWRUQZWSD-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NC(=O)C(F)(F)F ZINC000095545757 562758265 /nfs/dbraw/zinc/75/82/65/562758265.db2.gz YADWMKZCMFVWHR-AIFBBKAJSA-N 1 2 762.917 3.860 1 0 KHAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NC(=O)C(F)(F)F ZINC000095545757 562758264 /nfs/dbraw/zinc/75/82/64/562758264.db2.gz YADWMKZCMFVWHR-AIFBBKAJSA-N 1 2 762.917 3.860 1 0 KHAFLO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCC[NH+]1CCOCC1)C(C)C ZINC000095546488 562758479 /nfs/dbraw/zinc/75/84/79/562758479.db2.gz ODNJQWHSAUCZAN-LOFFRUMASA-N 1 2 759.945 3.836 1 0 KHAFLO C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCNC(=O)c4cn5c6c(cc(F)c(N7CC[NH+](C)CC7)c6OC[C@@H]5C)c4=O)cn1c32 ZINC000095549127 562759735 /nfs/dbraw/zinc/75/97/35/562759735.db2.gz QQHHDLZNHHFNRW-UIOOFZCWSA-N 1 2 802.924 3.725 1 0 KHAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCCc4cccc5ccccc54)nc(N[C@H]4CCCCNC4=O)[nH+]3)C2)cc1F ZINC000095554308 562761231 /nfs/dbraw/zinc/76/12/31/562761231.db2.gz NMCKQHPCFWENLV-YWEHKCAJSA-N 1 2 632.766 3.765 1 0 KHAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(N[C@H]4CCCCNC4=O)nc(NCCc4cccc5ccccc54)[nH+]3)C2)cc1F ZINC000095554308 562761230 /nfs/dbraw/zinc/76/12/30/562761230.db2.gz NMCKQHPCFWENLV-YWEHKCAJSA-N 1 2 632.766 3.765 1 0 KHAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCCc4cccc5ccccc54)[nH+]c(N[C@H]4CCCCNC4=O)n3)C2)cc1F ZINC000095554308 562761229 /nfs/dbraw/zinc/76/12/29/562761229.db2.gz NMCKQHPCFWENLV-YWEHKCAJSA-N 1 2 632.766 3.765 1 0 KHAFLO CC(C)C[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095554819 562761385 /nfs/dbraw/zinc/76/13/85/562761385.db2.gz RRTBHYJKYDWRDY-IIZANFQQSA-N 1 2 627.827 3.796 1 0 KHAFLO CC(C)C[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095554819 562761384 /nfs/dbraw/zinc/76/13/84/562761384.db2.gz RRTBHYJKYDWRDY-IIZANFQQSA-N 1 2 627.827 3.796 1 0 KHAFLO CCCCNc1nc(NCC2CC2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 ZINC000095557090 562762070 /nfs/dbraw/zinc/76/20/70/562762070.db2.gz TZDMNXDMLMJLOS-OAQYLSRUSA-N 1 2 501.701 3.805 1 0 KHAFLO CCCCNc1nc(NCC2CC2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)[nH+]1 ZINC000095557090 562762069 /nfs/dbraw/zinc/76/20/69/562762069.db2.gz TZDMNXDMLMJLOS-OAQYLSRUSA-N 1 2 501.701 3.805 1 0 KHAFLO CCCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)nc(NCC2CC2)[nH+]1 ZINC000095557090 562762068 /nfs/dbraw/zinc/76/20/68/562762068.db2.gz TZDMNXDMLMJLOS-OAQYLSRUSA-N 1 2 501.701 3.805 1 0 KHAFLO Cc1cc(CN2CCN(c3c4nc(-c5cccc(C[NH+]6CCOCC6)c5)[nH]c4ncc3Cl)CC2)no1 ZINC000095558482 562762466 /nfs/dbraw/zinc/76/24/66/562762466.db2.gz XBYOPVXFZZWWMR-UHFFFAOYSA-N 1 2 508.026 3.729 1 0 KHAFLO Cc1cc(CN2CCN(c3c4[nH]c(-c5cccc(C[NH+]6CCOCC6)c5)nc4ncc3Cl)CC2)no1 ZINC000095558482 562762465 /nfs/dbraw/zinc/76/24/65/562762465.db2.gz XBYOPVXFZZWWMR-UHFFFAOYSA-N 1 2 508.026 3.729 1 0 KHAFLO Cc1cc(CN2CCN(c3c4nc(-c5ccc(N6CC[NH+](C)CC6)cc5F)[nH]c4ncc3Cl)CC2)no1 ZINC000095560582 562763119 /nfs/dbraw/zinc/76/31/19/562763119.db2.gz OKSCRFTUADBBFT-UHFFFAOYSA-N 1 2 525.032 3.788 1 0 KHAFLO Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(N6CC[NH+](C)CC6)cc5F)nc4ncc3Cl)CC2)no1 ZINC000095560582 562763118 /nfs/dbraw/zinc/76/31/18/562763118.db2.gz OKSCRFTUADBBFT-UHFFFAOYSA-N 1 2 525.032 3.788 1 0 KHAFLO Cn1cnc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cn(C)c[nH+]4)cc3)cc2)c1 ZINC000095560824 562763213 /nfs/dbraw/zinc/76/32/13/562763213.db2.gz NGOBVWGZFNYLHA-UMPLPVRUSA-N 1 2 648.768 3.668 1 0 KHAFLO Cc1cc(CN2CCN(c3c4nc(-c5ccc(N6CC[NH+](C)CC6)c(F)c5)[nH]c4ncc3Cl)CC2)no1 ZINC000095563373 562763961 /nfs/dbraw/zinc/76/39/61/562763961.db2.gz FLQVVGVSIXQQOB-UHFFFAOYSA-N 1 2 525.032 3.788 1 0 KHAFLO CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CO)C(=O)N(C)c1ccccn1 ZINC000095565623 562764659 /nfs/dbraw/zinc/76/46/59/562764659.db2.gz LSVYRWMQXUQHFZ-XYPUQJIVSA-N 1 2 769.944 3.683 1 0 KHAFLO CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CO)C(=O)N(C)c1ccccn1 ZINC000095565623 562764658 /nfs/dbraw/zinc/76/46/58/562764658.db2.gz LSVYRWMQXUQHFZ-XYPUQJIVSA-N 1 2 769.944 3.683 1 0 KHAFLO COc1ccc(-c2cc3n[nH]cc3c(-c3ncc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)o3)c2)cc1NS(C)(=O)=O ZINC000095565915 562764757 /nfs/dbraw/zinc/76/47/57/562764757.db2.gz SDKPPLPIRKHEAM-IYBDPMFKSA-N 1 2 511.604 3.874 1 0 KHAFLO COc1ccc(-c2cc3n[nH]cc3c(-c3ncc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)o3)c2)cc1NS(C)(=O)=O ZINC000095565915 562764756 /nfs/dbraw/zinc/76/47/56/562764756.db2.gz SDKPPLPIRKHEAM-IYBDPMFKSA-N 1 2 511.604 3.874 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095566230 562764823 /nfs/dbraw/zinc/76/48/23/562764823.db2.gz VFXBGUYEVNSPLY-VVBNIPQCSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095566230 562764822 /nfs/dbraw/zinc/76/48/22/562764822.db2.gz VFXBGUYEVNSPLY-VVBNIPQCSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095566232 562764796 /nfs/dbraw/zinc/76/47/96/562764796.db2.gz VFXBGUYEVNSPLY-ZUNAIJIHSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095566232 562764795 /nfs/dbraw/zinc/76/47/95/562764795.db2.gz VFXBGUYEVNSPLY-ZUNAIJIHSA-N 1 2 785.987 3.827 1 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566538 562765066 /nfs/dbraw/zinc/76/50/66/562765066.db2.gz VWQPHETXZDMYNJ-LJKQEARRSA-N 1 2 624.591 3.809 1 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566538 562765065 /nfs/dbraw/zinc/76/50/65/562765065.db2.gz VWQPHETXZDMYNJ-LJKQEARRSA-N 1 2 624.591 3.809 1 0 KHAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566852 562765297 /nfs/dbraw/zinc/76/52/97/562765297.db2.gz VWQPHETXZDMYNJ-GNBJCERTSA-N 1 2 624.591 3.809 1 0 KHAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566852 562765296 /nfs/dbraw/zinc/76/52/96/562765296.db2.gz VWQPHETXZDMYNJ-GNBJCERTSA-N 1 2 624.591 3.809 1 0 KHAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)NCc4ccc(C(F)(F)F)nc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095572149 562769336 /nfs/dbraw/zinc/76/93/36/562769336.db2.gz UAUHRXURJVXAHN-LJQANCHMSA-N 1 2 550.545 3.769 1 0 KHAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)NCCc4ccc(F)cc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095575070 562770181 /nfs/dbraw/zinc/77/01/81/562770181.db2.gz JPSPTTRNCXPGQE-JOCHJYFZSA-N 1 2 513.577 3.537 1 0 KHAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)c3c2nc[nH+]c3N)C1 ZINC000095575298 562770280 /nfs/dbraw/zinc/77/02/80/562770280.db2.gz DJOSUSPQHKXTIT-HXUWFJFHSA-N 1 2 503.513 3.956 1 0 KHAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(F)c(F)c4)c3)c3c2nc[nH+]c3N)C1 ZINC000095578489 562771234 /nfs/dbraw/zinc/77/12/34/562771234.db2.gz UTKCVGADNHOGJJ-GOSISDBHSA-N 1 2 503.513 3.956 1 0 KHAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(F)cc4F)c3)c3c2nc[nH+]c3N)C1 ZINC000095580272 562771779 /nfs/dbraw/zinc/77/17/79/562771779.db2.gz HPGPMRSQYNBPDN-GOSISDBHSA-N 1 2 503.513 3.956 1 0 KHAFLO CNC(=O)c1ccc(COc2ccccc2C[NH+]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095582180 562772490 /nfs/dbraw/zinc/77/24/90/562772490.db2.gz QNZLMDVEEQRIAP-UHFFFAOYSA-N 1 2 572.750 3.992 1 0 KHAFLO CCCS(=O)(=O)N1CC[NH+]([C@]2(CNC(=O)c3ccc(Cl)cc3Cl)CCc3ccccc32)CC1 ZINC000095583216 562772808 /nfs/dbraw/zinc/77/28/08/562772808.db2.gz BZCSNFJIUYIFJK-DEOSSOPVSA-N 1 2 510.487 3.922 1 0 KHAFLO CCCS(=O)(=O)N1CC[NH+]([C@@]2(CNC(=O)c3ccc(Cl)cc3Cl)CCc3ccccc32)CC1 ZINC000095583217 562772810 /nfs/dbraw/zinc/77/28/10/562772810.db2.gz BZCSNFJIUYIFJK-XMMPIXPASA-N 1 2 510.487 3.922 1 0 KHAFLO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCC[NH+]3CCOCC3)c2)cc1OC ZINC000095601453 562779638 /nfs/dbraw/zinc/77/96/38/562779638.db2.gz ODXBMOBSHUFPEA-UHFFFAOYSA-N 1 2 569.396 3.997 1 0 KHAFLO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CC[NH+](C)CC3)c2)cc1OC ZINC000095604499 562781016 /nfs/dbraw/zinc/78/10/16/562781016.db2.gz QHYQKQSJMGRGDT-UHFFFAOYSA-N 1 2 582.439 3.912 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)N[C@H](C)c4cccc5ccccc54)CC3)ccc2s1 ZINC000095605949 562781752 /nfs/dbraw/zinc/78/17/52/562781752.db2.gz VVBWFPHSMNKWQI-NFBKMPQASA-N 1 2 518.683 3.993 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ccc2s1 ZINC000095605951 562781787 /nfs/dbraw/zinc/78/17/87/562781787.db2.gz YXYKTPNBPFSRSY-QGZVFWFLSA-N 1 2 509.459 3.908 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)ccc2s1 ZINC000095605955 562781790 /nfs/dbraw/zinc/78/17/90/562781790.db2.gz BRRXOZCVEUETJG-LJQANCHMSA-N 1 2 508.566 3.620 1 0 KHAFLO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(CC(=O)N[C@@H](C)c4ccc5ccccc5c4)CC3)ccc2s1 ZINC000095605956 562781766 /nfs/dbraw/zinc/78/17/66/562781766.db2.gz ZFBBPHDPDPYJOR-NBGIEHNGSA-N 1 2 518.683 3.993 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605968 562781841 /nfs/dbraw/zinc/78/18/41/562781841.db2.gz YJEITIRWMUEULI-CUMGAWTLSA-N 1 2 796.917 3.551 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605968 562781840 /nfs/dbraw/zinc/78/18/40/562781840.db2.gz YJEITIRWMUEULI-CUMGAWTLSA-N 1 2 796.917 3.551 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605969 562781805 /nfs/dbraw/zinc/78/18/05/562781805.db2.gz YJEITIRWMUEULI-PKAIDYEGSA-N 1 2 796.917 3.551 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605969 562781804 /nfs/dbraw/zinc/78/18/04/562781804.db2.gz YJEITIRWMUEULI-PKAIDYEGSA-N 1 2 796.917 3.551 1 0 KHAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000095606207 562781993 /nfs/dbraw/zinc/78/19/93/562781993.db2.gz AJSUGOHRKILWCK-ZZTWKDBPSA-N 1 2 761.965 3.702 1 0 KHAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000095606207 562781992 /nfs/dbraw/zinc/78/19/92/562781992.db2.gz AJSUGOHRKILWCK-ZZTWKDBPSA-N 1 2 761.965 3.702 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ncccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000095607237 562782687 /nfs/dbraw/zinc/78/26/87/562782687.db2.gz NSORIBLJGXKBTF-RRNXAADDSA-N 1 2 803.043 3.778 1 0 KHAFLO COc1ccc(CN2CC[N@@H+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095607839 562783156 /nfs/dbraw/zinc/78/31/56/562783156.db2.gz RGAGZMJAXHYJCL-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(CN2CC[N@H+](C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095607839 562783155 /nfs/dbraw/zinc/78/31/55/562783155.db2.gz RGAGZMJAXHYJCL-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095607839 562783153 /nfs/dbraw/zinc/78/31/53/562783153.db2.gz RGAGZMJAXHYJCL-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO COc1ccc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095607839 562783152 /nfs/dbraw/zinc/78/31/52/562783152.db2.gz RGAGZMJAXHYJCL-XREYCITQSA-N 1 2 752.979 3.909 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000095608590 562783588 /nfs/dbraw/zinc/78/35/88/562783588.db2.gz FFXNCKJLOJZZAT-RRNXAADDSA-N 1 2 803.043 3.778 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CSc2cnccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000095608721 562783659 /nfs/dbraw/zinc/78/36/59/562783659.db2.gz FXJVVUMDPYPBBU-RRNXAADDSA-N 1 2 803.043 3.778 1 0 KHAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000095608821 562783718 /nfs/dbraw/zinc/78/37/18/562783718.db2.gz GFFKPJWVOXRRTB-WZUXKDABSA-N 1 2 791.028 3.815 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095609925 562784094 /nfs/dbraw/zinc/78/40/94/562784094.db2.gz VFXBGUYEVNSPLY-LETNQRCJSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095609925 562784093 /nfs/dbraw/zinc/78/40/93/562784093.db2.gz VFXBGUYEVNSPLY-LETNQRCJSA-N 1 2 785.987 3.827 1 0 KHAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095610916 562784673 /nfs/dbraw/zinc/78/46/73/562784673.db2.gz GBGNQOSPNHQALW-CEWIDEQNSA-N 1 2 730.184 3.867 1 0 KHAFLO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095610916 562784672 /nfs/dbraw/zinc/78/46/72/562784672.db2.gz GBGNQOSPNHQALW-CEWIDEQNSA-N 1 2 730.184 3.867 1 0 KHAFLO COc1c2ccoc2c(OC)c2oc(CN3CCN(CC(O)C[NH+]4CCN(Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000095610983 562784740 /nfs/dbraw/zinc/78/47/40/562784740.db2.gz UQALZPQTQLGIRV-UHFFFAOYSA-N 1 2 744.798 3.723 1 0 KHAFLO CC(C)C[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095613204 562786158 /nfs/dbraw/zinc/78/61/58/562786158.db2.gz RRTBHYJKYDWRDY-MYSYHGOYSA-N 1 2 627.827 3.796 1 0 KHAFLO CC(C)C[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095613204 562786157 /nfs/dbraw/zinc/78/61/57/562786157.db2.gz RRTBHYJKYDWRDY-MYSYHGOYSA-N 1 2 627.827 3.796 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCc5ccncc5)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000095613515 562786361 /nfs/dbraw/zinc/78/63/61/562786361.db2.gz MSIYFCIPIPNABH-UHFFFAOYSA-N 1 2 762.297 3.681 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccncc1 ZINC000095614561 562786708 /nfs/dbraw/zinc/78/67/08/562786708.db2.gz KGWMEGUZQYGIBN-YRCZKMHPSA-N 1 2 760.966 3.806 1 0 KHAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccncc1 ZINC000095614561 562786707 /nfs/dbraw/zinc/78/67/07/562786707.db2.gz KGWMEGUZQYGIBN-YRCZKMHPSA-N 1 2 760.966 3.806 1 0 KHAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1nc2ccccc2[nH]1 ZINC000095614940 562786953 /nfs/dbraw/zinc/78/69/53/562786953.db2.gz ZABIWLDXHYJWLT-QGNCIQMXSA-N 1 2 761.949 3.511 1 0 in-vitro KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095616104 562787776 /nfs/dbraw/zinc/78/77/76/562787776.db2.gz VFXBGUYEVNSPLY-CZSVRRKHSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000095616104 562787775 /nfs/dbraw/zinc/78/77/75/562787775.db2.gz VFXBGUYEVNSPLY-CZSVRRKHSA-N 1 2 785.987 3.827 1 0 KHAFLO CCC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796051 562789109 /nfs/dbraw/zinc/78/91/09/562789109.db2.gz SWELMCMUSKCFQV-QHCPKHFHSA-N 1 2 505.615 3.735 1 0 KHAFLO CCC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)OCO3)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796051 562789108 /nfs/dbraw/zinc/78/91/08/562789108.db2.gz SWELMCMUSKCFQV-QHCPKHFHSA-N 1 2 505.615 3.735 1 0 KHAFLO COc1ccc2c(c1)n(C)c1c2C2(CCN(C(=O)Cc3ccncc3)CC2)C[N@@H+](Cc2ccncc2)[C@H]1CO ZINC000095796712 562789176 /nfs/dbraw/zinc/78/91/76/562789176.db2.gz BTLNYNFZCBPODF-MHZLTWQESA-N 1 2 525.653 3.629 1 0 KHAFLO COc1ccc2c(c1)n(C)c1c2C2(CCN(C(=O)Cc3ccncc3)CC2)C[N@H+](Cc2ccncc2)[C@H]1CO ZINC000095796712 562789175 /nfs/dbraw/zinc/78/91/75/562789175.db2.gz BTLNYNFZCBPODF-MHZLTWQESA-N 1 2 525.653 3.629 1 0 KHAFLO COc1ccc2c(c1)[nH]c1c2C2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C[N@@H+](CC2CC2)[C@H]1CO ZINC000095864993 562789745 /nfs/dbraw/zinc/78/97/45/562789745.db2.gz YAWIBLDCIUIQAK-DEOSSOPVSA-N 1 2 513.635 3.797 1 0 KHAFLO COc1ccc2c(c1)[nH]c1c2C2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C[N@H+](CC2CC2)[C@H]1CO ZINC000095864993 562789744 /nfs/dbraw/zinc/78/97/44/562789744.db2.gz YAWIBLDCIUIQAK-DEOSSOPVSA-N 1 2 513.635 3.797 1 0 KHAFLO CC(C)(c1ncc(-c2ccccn2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142902 562790443 /nfs/dbraw/zinc/79/04/43/562790443.db2.gz RTAOSKPTWQTCBX-GIWSTSDLSA-N 1 2 750.819 3.857 1 0 KHAFLO CC(C)(c1ncc(-c2ccccn2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142902 562790442 /nfs/dbraw/zinc/79/04/42/562790442.db2.gz RTAOSKPTWQTCBX-GIWSTSDLSA-N 1 2 750.819 3.857 1 0 KHAFLO CC(C)(c1ncc(-c2cccnc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142903 562790412 /nfs/dbraw/zinc/79/04/12/562790412.db2.gz TWZWSIXDZUIEIJ-BEILRLPOSA-N 1 2 750.819 3.857 1 0 KHAFLO CC(C)(c1ncc(-c2cccnc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142903 562790411 /nfs/dbraw/zinc/79/04/11/562790411.db2.gz TWZWSIXDZUIEIJ-BEILRLPOSA-N 1 2 750.819 3.857 1 0 KHAFLO COc1cncc(-c2cnc(C(C)(C)[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000096142905 562790419 /nfs/dbraw/zinc/79/04/19/562790419.db2.gz CWAPFPHVCGEYRK-YKTJUOTHSA-N 1 2 780.845 3.866 1 0 KHAFLO COc1cncc(-c2cnc(C(C)(C)[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000096142905 562790418 /nfs/dbraw/zinc/79/04/18/562790418.db2.gz CWAPFPHVCGEYRK-YKTJUOTHSA-N 1 2 780.845 3.866 1 0 KHAFLO CN(C)C(=O)N1CC[NH+](C/C=C/C(=O)N2CCc3c(sc4ncnc(Nc5ccc(F)c(Cl)c5)c43)C2)CC1 ZINC000096172258 562791308 /nfs/dbraw/zinc/79/13/08/562791308.db2.gz PJXFDSFGZUPIKW-ONEGZZNKSA-N 1 2 558.083 3.968 1 0 KHAFLO CNC(=O)c1c2cc(C3CC3)c(N(CCC[NH+]3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174189 562791782 /nfs/dbraw/zinc/79/17/82/562791782.db2.gz MCJVNPJVNGOHPW-UHFFFAOYSA-N 1 2 590.544 3.513 1 0 KHAFLO COc1cc(=O)oc2cc(OCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271824 562793884 /nfs/dbraw/zinc/79/38/84/562793884.db2.gz QHOLDIQQONVHTG-UHFFFAOYSA-N 1 2 542.636 3.864 1 0 KHAFLO O=C(CN1CC[NH+](CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271836 562793907 /nfs/dbraw/zinc/79/39/07/562793907.db2.gz IFYBWVINZZLKPU-UHFFFAOYSA-N 1 2 512.610 3.855 1 0 KHAFLO C[N@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284519 562795186 /nfs/dbraw/zinc/79/51/86/562795186.db2.gz FWXOVZFVLYDPOD-CONSDPRKSA-N 1 2 586.643 3.684 1 0 KHAFLO C[N@@H+]1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2cnc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284519 562795185 /nfs/dbraw/zinc/79/51/85/562795185.db2.gz FWXOVZFVLYDPOD-CONSDPRKSA-N 1 2 586.643 3.684 1 0 KHAFLO COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](C)N(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1OCC[NH+]1CCOCC1 ZINC000096901812 562797160 /nfs/dbraw/zinc/79/71/60/562797160.db2.gz RMCWQUJIMHDNIZ-UIUQJESISA-N 1 2 672.223 3.974 1 0 KHAFLO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](CC(=O)NCCCOc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)CC4)cc3OC)ncc2Cl)c1 ZINC000096906300 562798775 /nfs/dbraw/zinc/79/87/75/562798775.db2.gz VQMLDWHHSUYPIJ-UHFFFAOYSA-N 1 2 820.285 3.961 1 0 KHAFLO O=C1N=C2c3cc4c([nH+]c3N[C@H](c3ccccc3Cl)C2C(=O)N1)N[C@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906917 562798902 /nfs/dbraw/zinc/79/89/02/562798902.db2.gz RVFFHWKYMCGNJC-RTBURBONSA-N 1 2 574.384 3.505 1 0 KHAFLO O=C1N=C2c3cc4c([nH+]c3N[C@@H](c3ccccc3Cl)C2C(=O)N1)N[C@@H](c1ccccc1Cl)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906919 562798992 /nfs/dbraw/zinc/79/89/92/562798992.db2.gz RVFFHWKYMCGNJC-OALUTQOASA-N 1 2 574.384 3.505 1 0 KHAFLO O=C1N=C2c3cc4c([nH+]c3N[C@H](c3ccc(Cl)cc3)C2C(=O)N1)N[C@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906920 562798974 /nfs/dbraw/zinc/79/89/74/562798974.db2.gz KTNHVISTMOBQBZ-RTBURBONSA-N 1 2 574.384 3.505 1 0 KHAFLO O=C1N=C2c3cc4c([nH+]c3N[C@@H](c3ccc(Cl)cc3)C2C(=O)N1)N[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906922 562798970 /nfs/dbraw/zinc/79/89/70/562798970.db2.gz KTNHVISTMOBQBZ-OALUTQOASA-N 1 2 574.384 3.505 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccn1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913877 562800486 /nfs/dbraw/zinc/80/04/86/562800486.db2.gz UYPZAVCQQZMAJH-XMMPIXPASA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccn1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913877 562800485 /nfs/dbraw/zinc/80/04/85/562800485.db2.gz UYPZAVCQQZMAJH-XMMPIXPASA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1ccccn1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913878 562800477 /nfs/dbraw/zinc/80/04/77/562800477.db2.gz UYPZAVCQQZMAJH-DEOSSOPVSA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1ccccn1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913878 562800476 /nfs/dbraw/zinc/80/04/76/562800476.db2.gz UYPZAVCQQZMAJH-DEOSSOPVSA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1cccnc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913879 562800498 /nfs/dbraw/zinc/80/04/98/562800498.db2.gz QXPYKINGZRWGMN-XMMPIXPASA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1cccnc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913879 562800497 /nfs/dbraw/zinc/80/04/97/562800497.db2.gz QXPYKINGZRWGMN-XMMPIXPASA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@@H+](CC(=O)NCc1cccnc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913880 562800440 /nfs/dbraw/zinc/80/04/40/562800440.db2.gz QXPYKINGZRWGMN-DEOSSOPVSA-N 1 2 505.615 3.964 1 0 KHAFLO CCOc1cc2c(cc1OC)CC[N@H+](CC(=O)NCc1cccnc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913880 562800439 /nfs/dbraw/zinc/80/04/39/562800439.db2.gz QXPYKINGZRWGMN-DEOSSOPVSA-N 1 2 505.615 3.964 1 0 KHAFLO COc1ccc(C[C@@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913952 562800643 /nfs/dbraw/zinc/80/06/43/562800643.db2.gz IMAUFVRNNISMAO-XMMPIXPASA-N 1 2 554.665 3.509 1 0 KHAFLO COc1ccc(C[C@@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913952 562800642 /nfs/dbraw/zinc/80/06/42/562800642.db2.gz IMAUFVRNNISMAO-XMMPIXPASA-N 1 2 554.665 3.509 1 0 KHAFLO COc1ccc(C[C@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913953 562800607 /nfs/dbraw/zinc/80/06/07/562800607.db2.gz IMAUFVRNNISMAO-DEOSSOPVSA-N 1 2 554.665 3.509 1 0 KHAFLO COc1ccc(C[C@H]2c3cc(OS(C)(=O)=O)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913953 562800606 /nfs/dbraw/zinc/80/06/06/562800606.db2.gz IMAUFVRNNISMAO-DEOSSOPVSA-N 1 2 554.665 3.509 1 0 KHAFLO CCOC(=O)Cn1ncc2c1nc[nH+]c2Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000096914181 562800756 /nfs/dbraw/zinc/80/07/56/562800756.db2.gz MEXYYRFHLPOBGE-UHFFFAOYSA-N 1 2 531.392 3.696 1 0 KHAFLO COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCCO)c3C(=O)NC2)cc1-c1c[nH+]c(N(C)C)cc1C ZINC000096922859 562801930 /nfs/dbraw/zinc/80/19/30/562801930.db2.gz BOHRYBPFPSNUAN-UHFFFAOYSA-N 1 2 504.635 3.872 1 0 KHAFLO COc1cc(C(=O)Nc2nc3ccc4nc(NCC[NH+]5CCOCC5)sc4c3s2)cc(OC)c1OC ZINC000096929310 562803014 /nfs/dbraw/zinc/80/30/14/562803014.db2.gz FTCFBPUJYOQTKZ-UHFFFAOYSA-N 1 2 529.644 3.928 1 0 KHAFLO O=C(/C=C/C[NH+]1CCOCC1)N1CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc21 ZINC000096938583 562804513 /nfs/dbraw/zinc/80/45/13/562804513.db2.gz XQMWTBAKRTWVPA-GORDUTHDSA-N 1 2 510.392 3.750 1 0 KHAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccccn1 ZINC000100069709 562806543 /nfs/dbraw/zinc/80/65/43/562806543.db2.gz UKLZWCUWYPDYAK-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccccn1 ZINC000100069709 562806542 /nfs/dbraw/zinc/80/65/42/562806542.db2.gz UKLZWCUWYPDYAK-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1cccnc1 ZINC000100069714 562806569 /nfs/dbraw/zinc/80/65/69/562806569.db2.gz CYGAJNKOYQUXNL-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1cccnc1 ZINC000100069714 562806568 /nfs/dbraw/zinc/80/65/68/562806568.db2.gz CYGAJNKOYQUXNL-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccncc1 ZINC000100069717 562806555 /nfs/dbraw/zinc/80/65/55/562806555.db2.gz VSJZEZYNEKUFBD-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccncc1 ZINC000100069717 562806554 /nfs/dbraw/zinc/80/65/54/562806554.db2.gz VSJZEZYNEKUFBD-LJQANCHMSA-N 1 2 578.044 3.938 1 0 KHAFLO COc1ccc(C2=[NH+][C@@H](c3ccc(S(C)(=O)=O)cc3)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1 ZINC000100410950 562806954 /nfs/dbraw/zinc/80/69/54/562806954.db2.gz FFUSGSSPPHCGPY-VWLOTQADSA-N 1 2 515.595 3.979 1 0 KHAFLO COc1ccc(C2=[NH+][C@H](c3ccc(S(C)(=O)=O)cc3)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1 ZINC000100410952 562806964 /nfs/dbraw/zinc/80/69/64/562806964.db2.gz FFUSGSSPPHCGPY-RUZDIDTESA-N 1 2 515.595 3.979 1 0 KHAFLO CCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101091140 562809131 /nfs/dbraw/zinc/80/91/31/562809131.db2.gz VUYWUZPXEINGGH-QGZVFWFLSA-N 1 2 529.012 3.752 1 0 KHAFLO CCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101091140 562809130 /nfs/dbraw/zinc/80/91/30/562809130.db2.gz VUYWUZPXEINGGH-QGZVFWFLSA-N 1 2 529.012 3.752 1 0 KHAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C ZINC000101091596 562809179 /nfs/dbraw/zinc/80/91/79/562809179.db2.gz GAUUVSZLVNCKGO-CYBMUJFWSA-N 1 2 523.442 3.548 1 0 KHAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2ccc(Cl)s2)C[C@H]1C ZINC000101091596 562809178 /nfs/dbraw/zinc/80/91/78/562809178.db2.gz GAUUVSZLVNCKGO-CYBMUJFWSA-N 1 2 523.442 3.548 1 0 KHAFLO CNc1c(=O)c(=O)c1Nc1cc(-c2ccccc2)ccc1OCC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101093960 562809200 /nfs/dbraw/zinc/80/92/00/562809200.db2.gz PVKKLIPSNABFRT-HXUWFJFHSA-N 1 2 542.611 3.986 1 0 KHAFLO CNc1c(=O)c(=O)c1Nc1cc(-c2ccccc2)ccc1OCC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101093960 562809199 /nfs/dbraw/zinc/80/91/99/562809199.db2.gz PVKKLIPSNABFRT-HXUWFJFHSA-N 1 2 542.611 3.986 1 0 KHAFLO O=c1c(=O)c(Nc2ccc(Cl)c(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2O)c1Nc1ccccc1 ZINC000101113453 562809277 /nfs/dbraw/zinc/80/92/77/562809277.db2.gz DSHSUADDEKHVAR-UHFFFAOYSA-N 1 2 545.061 3.768 1 0 KHAFLO CNC(=O)/C1=C/[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)c[nH+]3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000101374416 562810486 /nfs/dbraw/zinc/81/04/86/562810486.db2.gz JGTVZDWLNNFQIC-RZQXXOGCSA-N 1 2 509.647 3.964 1 0 KHAFLO CC(C)c1ncc([C@@]2(O)CC[C@@H]([NH+]3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 ZINC000101588036 562811373 /nfs/dbraw/zinc/81/13/73/562811373.db2.gz YDJRIMVQYQINQR-OGAOHHHESA-N 1 2 524.609 3.646 1 0 KHAFLO O=C(CNc1[nH+]ccc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 ZINC000101657582 562811592 /nfs/dbraw/zinc/81/15/92/562811592.db2.gz NFRZZRGASVENJS-QRTMHTFLSA-N 1 2 505.566 3.753 1 0 KHAFLO C[C@H](C1=CN[C@H]([NH3+])N1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101677504 562811705 /nfs/dbraw/zinc/81/17/05/562811705.db2.gz XTUQWMCQNLFDOX-FTJNGKRUSA-N 1 2 532.402 3.915 1 0 KHAFLO C[C@@H](C1=CN[C@H]([NH3+])N1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101677507 562811702 /nfs/dbraw/zinc/81/17/02/562811702.db2.gz XTUQWMCQNLFDOX-NDHGSNPTSA-N 1 2 532.402 3.915 1 0 KHAFLO C[C@H](C1=CN[C@@H]([NH3+])N1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101677512 562811691 /nfs/dbraw/zinc/81/16/91/562811691.db2.gz XTUQWMCQNLFDOX-JPQMIFPKSA-N 1 2 532.402 3.915 1 0 KHAFLO C[C@@H](C1=CN[C@@H]([NH3+])N1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc54)c(=O)[nH]3)c21 ZINC000101677515 562811694 /nfs/dbraw/zinc/81/16/94/562811694.db2.gz XTUQWMCQNLFDOX-SSINHNECSA-N 1 2 532.402 3.915 1 0 KHAFLO O=C(C[NH+](CCO)CCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696496 562811903 /nfs/dbraw/zinc/81/19/03/562811903.db2.gz GCEVWEVHAVPIQF-UHFFFAOYSA-N 1 2 573.671 3.890 1 0 KHAFLO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(CCO)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000103231982 562818310 /nfs/dbraw/zinc/81/83/10/562818310.db2.gz VOBIRZKGKBEAMM-UHFFFAOYSA-N 1 2 523.641 3.953 1 0 KHAFLO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000103235177 562818658 /nfs/dbraw/zinc/81/86/58/562818658.db2.gz DOGOFOVKBRAJST-NRFANRHFSA-N 1 2 517.470 3.573 1 0 KHAFLO O[C@@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3cccc(Cl)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237334 562819005 /nfs/dbraw/zinc/81/90/05/562819005.db2.gz KRPZNCLVDXCELP-AREMUKBSSA-N 1 2 576.073 3.948 1 0 KHAFLO O[C@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3cccc(Cl)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237336 562818964 /nfs/dbraw/zinc/81/89/64/562818964.db2.gz KRPZNCLVDXCELP-SANMLTNESA-N 1 2 576.073 3.948 1 0 KHAFLO O[C@@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237337 562818996 /nfs/dbraw/zinc/81/89/96/562818996.db2.gz ODYNKVIVZOJDFI-AREMUKBSSA-N 1 2 576.073 3.948 1 0 KHAFLO O[C@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237339 562818949 /nfs/dbraw/zinc/81/89/49/562818949.db2.gz ODYNKVIVZOJDFI-SANMLTNESA-N 1 2 576.073 3.948 1 0 KHAFLO Cc1ccccc1-c1nnc(SCCCN2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000103237354 562818987 /nfs/dbraw/zinc/81/89/87/562818987.db2.gz SDMYXCMXEYFTEE-HHHXNRCGSA-N 1 2 555.655 3.603 1 0 KHAFLO Cc1ccccc1-c1nnc(SCCCN2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000103237357 562818946 /nfs/dbraw/zinc/81/89/46/562818946.db2.gz SDMYXCMXEYFTEE-MHZLTWQESA-N 1 2 555.655 3.603 1 0 KHAFLO Cc1cccc(-c2nnc(SCCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000103237360 562818958 /nfs/dbraw/zinc/81/89/58/562818958.db2.gz LVDPELNBNJUQIR-HHHXNRCGSA-N 1 2 555.655 3.603 1 0 KHAFLO Cc1cccc(-c2nnc(SCCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000103237362 562818967 /nfs/dbraw/zinc/81/89/67/562818967.db2.gz LVDPELNBNJUQIR-MHZLTWQESA-N 1 2 555.655 3.603 1 0 KHAFLO Cc1ccc(-c2nnc(SCCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000103237365 562818943 /nfs/dbraw/zinc/81/89/43/562818943.db2.gz KPIJEBDUCJIFEJ-HHHXNRCGSA-N 1 2 555.655 3.603 1 0 KHAFLO Cc1ccc(-c2nnc(SCCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000103237368 562818955 /nfs/dbraw/zinc/81/89/55/562818955.db2.gz KPIJEBDUCJIFEJ-MHZLTWQESA-N 1 2 555.655 3.603 1 0 KHAFLO O[C@@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3ccccc3Cl)o2)CC1)c1ccc(F)cc1F ZINC000103237430 562819032 /nfs/dbraw/zinc/81/90/32/562819032.db2.gz IVBFHTTWYCPCDV-AREMUKBSSA-N 1 2 576.073 3.948 1 0 KHAFLO O[C@](Cn1cncn1)(C[NH+]1CCN(CCCSc2nnc(-c3ccccc3Cl)o2)CC1)c1ccc(F)cc1F ZINC000103237434 562819077 /nfs/dbraw/zinc/81/90/77/562819077.db2.gz IVBFHTTWYCPCDV-SANMLTNESA-N 1 2 576.073 3.948 1 0 KHAFLO C[C@H]1COCC[N@H+]1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000103238907 562819219 /nfs/dbraw/zinc/81/92/19/562819219.db2.gz LJKUKPPCBQEXTR-LPHOPBHVSA-N 1 2 587.608 3.661 1 0 KHAFLO C[C@H]1COCC[N@@H+]1C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000103238907 562819218 /nfs/dbraw/zinc/81/92/18/562819218.db2.gz LJKUKPPCBQEXTR-LPHOPBHVSA-N 1 2 587.608 3.661 1 0 KHAFLO O=C(Nc1ccc(Oc2cc(NCC[NH+]3CCOCC3)ncn2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O ZINC000103241243 562819565 /nfs/dbraw/zinc/81/95/65/562819565.db2.gz PUYBYMHHUUMHQF-UHFFFAOYSA-N 1 2 548.550 3.694 1 0 KHAFLO O=C(NCC[NH+]1CCOCC1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000103253614 562820536 /nfs/dbraw/zinc/82/05/36/562820536.db2.gz BZRTYTTZHHRCLU-KRWDZBQOSA-N 1 2 530.988 3.787 1 0 KHAFLO c1ccc(Nc2nc(OCCCCCNc3nc(Nc4ccccc4)nc(N4CCOCC4)[nH+]3)nc(N3CCOCC3)n2)cc1 ZINC000103255180 562820752 /nfs/dbraw/zinc/82/07/52/562820752.db2.gz VYWNTRZGVQAWKI-UHFFFAOYSA-N 1 2 613.727 3.878 1 0 KHAFLO O=C(c1ccc(-n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)o3)nn2)cc1)N1CC[NH+](CCO)CC1 ZINC000103258509 562821012 /nfs/dbraw/zinc/82/10/12/562821012.db2.gz CBEOCZFAPMDMEK-UHFFFAOYSA-N 1 2 539.571 3.541 1 0 KHAFLO COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCOCC3)c2=O)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000103259788 562821123 /nfs/dbraw/zinc/82/11/23/562821123.db2.gz KUAUVPBPWZDOEZ-UHFFFAOYSA-N 1 2 557.579 3.788 1 0 KHAFLO COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CC3)c2=O)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000103259790 562821144 /nfs/dbraw/zinc/82/11/44/562821144.db2.gz JKLYUJCAWKDRHI-UHFFFAOYSA-N 1 2 513.526 3.772 1 0 KHAFLO COc1ccc(O[C@]2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)cc1 ZINC000103260778 562821183 /nfs/dbraw/zinc/82/11/83/562821183.db2.gz QYZNCBLYIHVMNO-MUUNZHRXSA-N 1 2 569.584 3.907 1 0 KHAFLO COc1ccc(O[C@@]2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)cc1 ZINC000103260779 562821220 /nfs/dbraw/zinc/82/12/20/562821220.db2.gz QYZNCBLYIHVMNO-NDEPHWFRSA-N 1 2 569.584 3.907 1 0 KHAFLO C[NH+]1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000103261424 562821378 /nfs/dbraw/zinc/82/13/78/562821378.db2.gz ZJPZWXPHXLQNLJ-QHCPKHFHSA-N 1 2 544.496 3.947 1 0 KHAFLO C[NH+]1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000103261426 562821407 /nfs/dbraw/zinc/82/14/07/562821407.db2.gz ZJPZWXPHXLQNLJ-HSZRJFAPSA-N 1 2 544.496 3.947 1 0 KHAFLO COc1cc(Cc2nnc(Nc3ccc(C(F)(F)F)cc3)s2)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1OC ZINC000103271910 562823024 /nfs/dbraw/zinc/82/30/24/562823024.db2.gz MWYFPJOAFIVMQH-UHFFFAOYSA-N 1 2 557.620 3.845 1 0 KHAFLO C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccc(N)cc5)c(=S)o4)cn1c32 ZINC000103288562 562823966 /nfs/dbraw/zinc/82/39/66/562823966.db2.gz KQBLMBXAUJVVQL-MRXNPFEDSA-N 1 2 564.643 3.887 1 0 KHAFLO C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccc(N)cc5)c(=S)o4)cn1c32 ZINC000103288565 562823954 /nfs/dbraw/zinc/82/39/54/562823954.db2.gz KQBLMBXAUJVVQL-INIZCTEOSA-N 1 2 564.643 3.887 1 0 KHAFLO CCCCc1[nH+]cc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc(S(=O)(=O)NC(F)(F)F)cc1 ZINC000103296937 562824565 /nfs/dbraw/zinc/82/45/65/562824565.db2.gz ZJFUGXXNBVDURE-UYRXBGFRSA-N 1 2 527.569 3.765 1 0 KHAFLO COC(=O)[C@H](Cc1c[nH+]c(-c2ccc(OC)cc2)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298044 562824666 /nfs/dbraw/zinc/82/46/66/562824666.db2.gz HKIPKBNXXDGFLD-DQEYMECFSA-N 1 2 561.639 3.903 1 0 KHAFLO COC(=O)[C@H](Cc1c[nH]c(-c2ccc(OC)cc2)[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298044 562824665 /nfs/dbraw/zinc/82/46/65/562824665.db2.gz HKIPKBNXXDGFLD-DQEYMECFSA-N 1 2 561.639 3.903 1 0 KHAFLO O=C(c1nn(-c2cccc(C[NH+]3CCC(F)(F)CC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940999 562825715 /nfs/dbraw/zinc/82/57/15/562825715.db2.gz AWYHTRSXSTVTIF-UHFFFAOYSA-N 1 2 542.608 3.530 1 0 KHAFLO O=C(c1nn(-c2ccc(C[N@@H+]3CCCC(F)(F)C3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942263 562825919 /nfs/dbraw/zinc/82/59/19/562825919.db2.gz UQOMRZMTEAAICA-UHFFFAOYSA-N 1 2 542.608 3.530 1 0 KHAFLO O=C(c1nn(-c2ccc(C[N@H+]3CCCC(F)(F)C3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942263 562825918 /nfs/dbraw/zinc/82/59/18/562825918.db2.gz UQOMRZMTEAAICA-UHFFFAOYSA-N 1 2 542.608 3.530 1 0 KHAFLO Cc1nc(N)nc(-c2cc([C@@H](C)[NH+]3CCN(C(=O)N(C)C)CC3)cnc2Nc2ccc3scnc3c2)n1 ZINC000113240329 562826407 /nfs/dbraw/zinc/82/64/07/562826407.db2.gz GHJKXCIYEIFGOO-OAHLLOKOSA-N 1 2 518.651 3.538 1 0 KHAFLO Cc1nc(N)nc(-c2cc([C@H](C)[NH+]3CCN(C(=O)N(C)C)CC3)cnc2Nc2ccc3scnc3c2)n1 ZINC000113240331 562826379 /nfs/dbraw/zinc/82/63/79/562826379.db2.gz GHJKXCIYEIFGOO-HNNXBMFYSA-N 1 2 518.651 3.538 1 0 KHAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1 ZINC000113581380 562826630 /nfs/dbraw/zinc/82/66/30/562826630.db2.gz HDOZBLDTQJQWAP-OAQYLSRUSA-N 1 2 504.616 3.851 1 0 KHAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1 ZINC000113581380 562826629 /nfs/dbraw/zinc/82/66/29/562826629.db2.gz HDOZBLDTQJQWAP-OAQYLSRUSA-N 1 2 504.616 3.851 1 0 KHAFLO C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC[NH+](C)C)C3=O ZINC000113859202 562826839 /nfs/dbraw/zinc/82/68/39/562826839.db2.gz DPMQHTABGLRCQK-LBPRGKRZSA-N 1 2 556.520 3.675 1 0 KHAFLO CC(CO)(CO)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCC[NH+]6CCOCC6)cc5sc4n3)cc2)no1 ZINC000114549462 562828351 /nfs/dbraw/zinc/82/83/51/562828351.db2.gz RWLXCDFZJDZLHX-UHFFFAOYSA-N 1 2 592.678 3.801 1 0 KHAFLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)n[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779 562828772 /nfs/dbraw/zinc/82/87/72/562828772.db2.gz SWLJZCQKYXTNFY-CQSZACIVSA-N 1 2 500.485 3.770 1 0 KHAFLO C[C@@H]1C[N@H+](Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)n[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779 562828771 /nfs/dbraw/zinc/82/87/71/562828771.db2.gz SWLJZCQKYXTNFY-CQSZACIVSA-N 1 2 500.485 3.770 1 0 KHAFLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779 562828770 /nfs/dbraw/zinc/82/87/70/562828770.db2.gz SWLJZCQKYXTNFY-CQSZACIVSA-N 1 2 500.485 3.770 1 0 KHAFLO C[C@@H]1C[N@H+](Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)[nH]n2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779 562828769 /nfs/dbraw/zinc/82/87/69/562828769.db2.gz SWLJZCQKYXTNFY-CQSZACIVSA-N 1 2 500.485 3.770 1 0 KHAFLO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(OC3C[NH+](C)C3)cn2)c1=O ZINC000116056215 562829194 /nfs/dbraw/zinc/82/91/94/562829194.db2.gz KASIWISKVNBXCS-UHFFFAOYSA-N 1 2 598.679 3.856 1 0 KHAFLO CC(C)(C)c1ccc(S(=O)(=O)NCc2noc(-c3nn(CCn4cc[nH+]c4)c4ccccc43)n2)cc1 ZINC000117047117 562829646 /nfs/dbraw/zinc/82/96/46/562829646.db2.gz JVXNFDBKNABZGK-UHFFFAOYSA-N 1 2 505.604 3.759 1 0 KHAFLO Cc1ccn(-c2ccc(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CC[NH+](C)CC5)cc4s3)c(Cl)c2)n1 ZINC000117107205 562829625 /nfs/dbraw/zinc/82/96/25/562829625.db2.gz TVEDJVZMZSLJMJ-UHFFFAOYSA-N 1 2 616.169 3.817 1 0 KHAFLO C[NH+]1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 ZINC000117107956 562829644 /nfs/dbraw/zinc/82/96/44/562829644.db2.gz LWQMVQKPXBEQRF-UHFFFAOYSA-N 1 2 559.073 3.965 1 0 KHAFLO C[NH+]1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 ZINC000117109698 562829623 /nfs/dbraw/zinc/82/96/23/562829623.db2.gz NPGLKIRLOYBSPD-UHFFFAOYSA-N 1 2 602.142 3.509 1 0 KHAFLO C[NH+]1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(-n5cccn5)c4Cl)sc3c2)CC1 ZINC000117111383 562829650 /nfs/dbraw/zinc/82/96/50/562829650.db2.gz UFRCVDBDVLJZBI-UHFFFAOYSA-N 1 2 602.142 3.509 1 0 KHAFLO C[NH+]1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 ZINC000117113367 562829621 /nfs/dbraw/zinc/82/96/21/562829621.db2.gz SMSFBMPGJBKNCF-UHFFFAOYSA-N 1 2 605.186 3.923 1 0 KHAFLO Cc1ccn(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CC[NH+](C)CC5)cc4s3)c2)n1 ZINC000117113547 562829709 /nfs/dbraw/zinc/82/97/09/562829709.db2.gz TUWISNXKXZRRGA-UHFFFAOYSA-N 1 2 616.169 3.817 1 0 KHAFLO CCc1nn(Cc2cccc(OCC[NH+]3CCN(C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117827034 562829840 /nfs/dbraw/zinc/82/98/40/562829840.db2.gz VKJMREAAUAJFPB-UHFFFAOYSA-N 1 2 538.656 3.568 1 0 KHAFLO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CC[NH+](C)CC5)ccn43)c12 ZINC000117884574 562829967 /nfs/dbraw/zinc/82/99/67/562829967.db2.gz LICBRMUQOJOBQX-UHFFFAOYSA-N 1 2 536.640 3.638 1 0 KHAFLO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCOCC5)ccn43)c12 ZINC000117894837 562830007 /nfs/dbraw/zinc/83/00/07/562830007.db2.gz ULWIAWOTDYHSPR-UHFFFAOYSA-N 1 2 539.640 3.961 1 0 KHAFLO COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)NCCC[NH+](C)C)c2)cc(OC)c1 ZINC000118586207 562830353 /nfs/dbraw/zinc/83/03/53/562830353.db2.gz HHHMVWCJYGXSMK-UHFFFAOYSA-N 1 2 564.668 3.873 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586555 562830372 /nfs/dbraw/zinc/83/03/72/562830372.db2.gz SWMRYZWSHCYJGG-OAQYLSRUSA-N 1 2 502.623 3.588 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586555 562830371 /nfs/dbraw/zinc/83/03/71/562830371.db2.gz SWMRYZWSHCYJGG-OAQYLSRUSA-N 1 2 502.623 3.588 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586556 562830375 /nfs/dbraw/zinc/83/03/75/562830375.db2.gz SWMRYZWSHCYJGG-NRFANRHFSA-N 1 2 502.623 3.588 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCC1 ZINC000118586556 562830374 /nfs/dbraw/zinc/83/03/74/562830374.db2.gz SWMRYZWSHCYJGG-NRFANRHFSA-N 1 2 502.623 3.588 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730557 562830523 /nfs/dbraw/zinc/83/05/23/562830523.db2.gz XGEJQZNPNALCEX-JOCHJYFZSA-N 1 2 516.650 3.978 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCCC[C@@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730557 562830522 /nfs/dbraw/zinc/83/05/22/562830522.db2.gz XGEJQZNPNALCEX-JOCHJYFZSA-N 1 2 516.650 3.978 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730559 562830534 /nfs/dbraw/zinc/83/05/34/562830534.db2.gz XGEJQZNPNALCEX-QFIPXVFZSA-N 1 2 516.650 3.978 1 0 KHAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@@H+]5CCCC[C@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118730559 562830533 /nfs/dbraw/zinc/83/05/33/562830533.db2.gz XGEJQZNPNALCEX-QFIPXVFZSA-N 1 2 516.650 3.978 1 0 KHAFLO Cc1csc([C@H]2CCCN2C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)[C@@H]3[NH2+]CCN(CC(C)C)C3=O)c2)n1 ZINC000138342874 562831809 /nfs/dbraw/zinc/83/18/09/562831809.db2.gz WWXOTKXDYPYKEZ-CRNKYVSFSA-N 1 2 603.789 3.587 1 0 KHAFLO COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000138460356 562831953 /nfs/dbraw/zinc/83/19/53/562831953.db2.gz QICRPLPIAWYXAW-UHFFFAOYSA-N 1 2 507.616 3.779 1 0 KHAFLO Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000140233955 562832983 /nfs/dbraw/zinc/83/29/83/562832983.db2.gz GQRWEJRYCBEXLY-UHFFFAOYSA-N 1 2 509.463 3.958 1 0 KHAFLO CCOc1cc(C(=O)NC2C[NH+](C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000141179295 562833511 /nfs/dbraw/zinc/83/35/11/562833511.db2.gz VJBVNHFQAIJUJA-UHFFFAOYSA-N 1 2 523.641 3.753 1 0 KHAFLO COc1cc(C(=O)NC2C[NH+](C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000141191969 562833578 /nfs/dbraw/zinc/83/35/78/562833578.db2.gz VRBYSNUSZJCSIC-UHFFFAOYSA-N 1 2 509.614 3.747 1 0 KHAFLO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C(=O)Nc4cc(Cl)c(O)c(Cl)c4)C3)CC2)cc1 ZINC000142501549 562834198 /nfs/dbraw/zinc/83/41/98/562834198.db2.gz MBCGDEROXRLCKP-GOSISDBHSA-N 1 2 519.429 3.511 1 0 KHAFLO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(=O)Nc4cc(Cl)c(O)c(Cl)c4)C3)CC2)cc1 ZINC000142501549 562834197 /nfs/dbraw/zinc/83/41/97/562834197.db2.gz MBCGDEROXRLCKP-GOSISDBHSA-N 1 2 519.429 3.511 1 0 KHAFLO CCOc1cc(C(=O)NC2C[NH+](C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143080417 562834559 /nfs/dbraw/zinc/83/45/59/562834559.db2.gz BWQZQBLASRZDSY-UHFFFAOYSA-N 1 2 509.614 3.829 1 0 KHAFLO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3[nH+]2)cc1 ZINC000143210769 562834750 /nfs/dbraw/zinc/83/47/50/562834750.db2.gz GYFNKZBXZRBBOH-NRFANRHFSA-N 1 2 500.563 3.858 1 0 KHAFLO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[NH+]4CC(C)(O)C4)ccn3)c2s1 ZINC000144674780 562836568 /nfs/dbraw/zinc/83/65/68/562836568.db2.gz FBSYYAXYECNZST-UHFFFAOYSA-N 1 2 533.658 3.751 1 0 KHAFLO COc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146079234 562838187 /nfs/dbraw/zinc/83/81/87/562838187.db2.gz QKXDVFSLXYCTMA-UHFFFAOYSA-N 1 2 599.614 3.836 1 0 KHAFLO COc1cc(N2CC[NH+](CC(=O)N(C)OC)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146080039 562838192 /nfs/dbraw/zinc/83/81/92/562838192.db2.gz LAIQVVCZKIIDBT-UHFFFAOYSA-N 1 2 615.613 3.767 1 0 KHAFLO CC(=O)N[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCOCC4)CC3)n2)C1 ZINC000146345278 562838482 /nfs/dbraw/zinc/83/84/82/562838482.db2.gz LCSMVEMJQSFXGD-RUZDIDTESA-N 1 2 564.756 3.638 1 0 KHAFLO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCOCC4)CC3)n2)C1 ZINC000146345469 562838500 /nfs/dbraw/zinc/83/85/00/562838500.db2.gz LCSMVEMJQSFXGD-VWLOTQADSA-N 1 2 564.756 3.638 1 0 KHAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@@H+](CC(N)=O)[C@H](C)C5)n3)CN(c3ccc(F)cc3F)CC4)c12 ZINC000146978066 562839029 /nfs/dbraw/zinc/83/90/29/562839029.db2.gz ZIAPNJURUTXLMS-GOSISDBHSA-N 1 2 531.611 3.770 1 0 KHAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@H+](CC(N)=O)[C@H](C)C5)n3)CN(c3ccc(F)cc3F)CC4)c12 ZINC000146978066 562839028 /nfs/dbraw/zinc/83/90/28/562839028.db2.gz ZIAPNJURUTXLMS-GOSISDBHSA-N 1 2 531.611 3.770 1 0 KHAFLO CN(C)S(=O)(=O)n1ccnc1-c1ccnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)c[nH+]c3c2)n1 ZINC000147271119 562839257 /nfs/dbraw/zinc/83/92/57/562839257.db2.gz ZMOFBPPQIDCDSS-UHFFFAOYSA-N 1 2 585.572 3.660 1 0 KHAFLO O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]C2)C1 ZINC000147464801 562839381 /nfs/dbraw/zinc/83/93/81/562839381.db2.gz RVMZDBMSBRLFAR-UHFFFAOYSA-N 1 2 507.563 3.926 1 0 KHAFLO COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CCC1=O ZINC000147764965 562839597 /nfs/dbraw/zinc/83/95/97/562839597.db2.gz LWSNVAGDAMQMGZ-LJQANCHMSA-N 1 2 512.545 3.946 1 0 KHAFLO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@@H+](Cc2c(F)cccc2OC)C1 ZINC000147776891 562839560 /nfs/dbraw/zinc/83/95/60/562839560.db2.gz PWVKOSZQCHQTHA-RTWAWAEBSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@H+](Cc2c(F)cccc2OC)C1 ZINC000147776891 562839559 /nfs/dbraw/zinc/83/95/59/562839559.db2.gz PWVKOSZQCHQTHA-RTWAWAEBSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@@H+](Cc2c(F)cccc2OC)C1 ZINC000147777136 562839557 /nfs/dbraw/zinc/83/95/57/562839557.db2.gz PWVKOSZQCHQTHA-SFTDATJTSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@H]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@H+](Cc2c(F)cccc2OC)C1 ZINC000147777136 562839556 /nfs/dbraw/zinc/83/95/56/562839556.db2.gz PWVKOSZQCHQTHA-SFTDATJTSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@@H+](Cc2c(F)cccc2OC)C1 ZINC000147777318 562839546 /nfs/dbraw/zinc/83/95/46/562839546.db2.gz PWVKOSZQCHQTHA-NHCUHLMSSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@H+](Cc2c(F)cccc2OC)C1 ZINC000147777318 562839545 /nfs/dbraw/zinc/83/95/45/562839545.db2.gz PWVKOSZQCHQTHA-NHCUHLMSSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@@H+](Cc2c(F)cccc2OC)C1 ZINC000147777544 562839582 /nfs/dbraw/zinc/83/95/82/562839582.db2.gz PWVKOSZQCHQTHA-LEWJYISDSA-N 1 2 531.588 3.875 1 0 KHAFLO COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[N@H+](Cc2c(F)cccc2OC)C1 ZINC000147777544 562839581 /nfs/dbraw/zinc/83/95/81/562839581.db2.gz PWVKOSZQCHQTHA-LEWJYISDSA-N 1 2 531.588 3.875 1 0 KHAFLO COc1cccc(F)c1CN1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)CCC1=O ZINC000147808510 562839622 /nfs/dbraw/zinc/83/96/22/562839622.db2.gz LWSNVAGDAMQMGZ-IBGZPJMESA-N 1 2 512.545 3.946 1 0 KHAFLO COc1cccc(F)c1C[N@H+]1C[C@@H](CO)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147814931 562839735 /nfs/dbraw/zinc/83/97/35/562839735.db2.gz FTYRIDBXVJYNEG-RXVVDRJESA-N 1 2 528.588 3.638 1 0 KHAFLO COc1cccc(F)c1C[N@@H+]1C[C@@H](CO)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147814931 562839734 /nfs/dbraw/zinc/83/97/34/562839734.db2.gz FTYRIDBXVJYNEG-RXVVDRJESA-N 1 2 528.588 3.638 1 0 KHAFLO COc1cccc(F)c1C[N@H+]1C[C@H](CO)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147815173 562839704 /nfs/dbraw/zinc/83/97/04/562839704.db2.gz FTYRIDBXVJYNEG-NQIIRXRSSA-N 1 2 528.588 3.638 1 0 KHAFLO COc1cccc(F)c1C[N@@H+]1C[C@H](CO)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147815173 562839703 /nfs/dbraw/zinc/83/97/03/562839703.db2.gz FTYRIDBXVJYNEG-NQIIRXRSSA-N 1 2 528.588 3.638 1 0 KHAFLO CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCC[NH+]5CCOCC5)nc43)c2)no1 ZINC000148094385 562840198 /nfs/dbraw/zinc/84/01/98/562840198.db2.gz MMVZRIKPSPLAGT-UHFFFAOYSA-N 1 2 535.584 3.584 1 0 KHAFLO COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000148125994 562840250 /nfs/dbraw/zinc/84/02/50/562840250.db2.gz RPPKQUXTJOSPDS-UHFFFAOYSA-N 1 2 564.668 3.608 1 0 KHAFLO COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C[NH+](C)C)c2)c1 ZINC000148521912 562841463 /nfs/dbraw/zinc/84/14/63/562841463.db2.gz MAORSSOJBXQEDC-UHFFFAOYSA-N 1 2 564.668 3.608 1 0 KHAFLO O=C(CNc1[nH+]ccc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 ZINC000149110652 562842129 /nfs/dbraw/zinc/84/21/29/562842129.db2.gz NFRZZRGASVENJS-RXAXNXDRSA-N 1 2 505.566 3.753 1 0 KHAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@@H+](CC(N)=O)[C@H](C)C5)n3)CN(c3cc(F)ccc3C)CC4)c12 ZINC000149129180 562842154 /nfs/dbraw/zinc/84/21/54/562842154.db2.gz XTTITTTUMZIIRM-HXUWFJFHSA-N 1 2 527.648 3.939 1 0 KHAFLO Cc1c[nH]c2cccc(-c3nc4c(c(N5CC[N@H+](CC(N)=O)[C@H](C)C5)n3)CN(c3cc(F)ccc3C)CC4)c12 ZINC000149129180 562842153 /nfs/dbraw/zinc/84/21/53/562842153.db2.gz XTTITTTUMZIIRM-HXUWFJFHSA-N 1 2 527.648 3.939 1 0 KHAFLO CC[C@H](NS(=O)(=O)C(F)(F)F)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149209939 562842480 /nfs/dbraw/zinc/84/24/80/562842480.db2.gz NXGWDNIQBNLMJE-YJLNNSPDSA-N 1 2 596.598 3.638 1 0 KHAFLO CNC(=O)C[NH+]1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC)c2)CC1 ZINC000149274030 562842575 /nfs/dbraw/zinc/84/25/75/562842575.db2.gz VJWLMBVALMQEMA-UHFFFAOYSA-N 1 2 558.023 3.742 1 0 KHAFLO Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5ccc(-c6cncc(S(C)(=O)=O)c6)cc5[nH]4)c3N)ccc2[nH+]1 ZINC000150154924 562842915 /nfs/dbraw/zinc/84/29/15/562842915.db2.gz PKVOTNHPZNFTAB-UHFFFAOYSA-N 1 2 511.567 3.817 1 0 KHAFLO Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cncc(S(C)(=O)=O)c6)cc5[nH]4)c3N)cc2[nH+]1 ZINC000150154924 562842914 /nfs/dbraw/zinc/84/29/14/562842914.db2.gz PKVOTNHPZNFTAB-UHFFFAOYSA-N 1 2 511.567 3.817 1 0 KHAFLO COc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CC[NH+](C)CC4)cc3s2)cc1-n1cccn1 ZINC000163936138 562849489 /nfs/dbraw/zinc/84/94/89/562849489.db2.gz HZEVCUCAUNVVDB-UHFFFAOYSA-N 1 2 632.168 3.517 1 0 KHAFLO Cn1cc(-c2cccc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000164260461 562849546 /nfs/dbraw/zinc/84/95/46/562849546.db2.gz KBKFDSBWLKPVGE-UHFFFAOYSA-N 1 2 649.796 3.791 1 0 KHAFLO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000164262654 562849557 /nfs/dbraw/zinc/84/95/57/562849557.db2.gz HSQGSRPZUBVSCW-UHFFFAOYSA-N 1 2 667.786 3.930 1 0 KHAFLO COC(=O)Nc1ccc(-c2nc([C@H](CC(=O)N3CC[NH+](C)CC3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1 ZINC000164469971 562849624 /nfs/dbraw/zinc/84/96/24/562849624.db2.gz VWCBPXNZZXNGJW-FNNZQJQASA-N 1 2 653.531 3.572 1 0 KHAFLO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc(C(F)(F)F)cc1NS(C)(=O)=O ZINC000165271026 562850023 /nfs/dbraw/zinc/85/00/23/562850023.db2.gz YSLAOSWWHUCFNZ-UHFFFAOYSA-N 1 2 645.668 3.875 1 0 KHAFLO NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(OCC[NH+]5CCOCC5)c4)c3)ncnc12 ZINC000166986292 562850534 /nfs/dbraw/zinc/85/05/34/562850534.db2.gz KDFQZJLGQYVRDD-UHFFFAOYSA-N 1 2 541.612 3.696 1 0 KHAFLO Cc1cc(NCc2c[nH]c[nH+]2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312350 562855350 /nfs/dbraw/zinc/85/53/50/562855350.db2.gz ULDIOSIRYWPSDT-SQKWSBCUSA-N 1 2 726.900 3.560 1 0 KHAFLO Cc1cc(NCc2c[nH+]c[nH]2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312350 562855349 /nfs/dbraw/zinc/85/53/49/562855349.db2.gz ULDIOSIRYWPSDT-SQKWSBCUSA-N 1 2 726.900 3.560 1 0 KHAFLO COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000169323051 562856938 /nfs/dbraw/zinc/85/69/38/562856938.db2.gz DOVBDVGFLOFMTQ-LJWNLINESA-N 1 2 663.753 3.875 1 0 KHAFLO COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000169323051 562856937 /nfs/dbraw/zinc/85/69/37/562856937.db2.gz DOVBDVGFLOFMTQ-LJWNLINESA-N 1 2 663.753 3.875 1 0 KHAFLO CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000169323055 562856958 /nfs/dbraw/zinc/85/69/58/562856958.db2.gz CZHYTXLTCPQNJW-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000169323055 562856957 /nfs/dbraw/zinc/85/69/57/562856957.db2.gz CZHYTXLTCPQNJW-ORYMTKCHSA-N 1 2 668.880 3.942 1 0 KHAFLO Cc1ccc2c(c1)C(=O)C(=O)N2C[C@@H](CO)[NH2+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1 ZINC000169328155 562858271 /nfs/dbraw/zinc/85/82/71/562858271.db2.gz ZUCDWQDFTMGNAT-NYMVBKFOSA-N 1 2 515.997 3.626 1 0 KHAFLO Cc1ccc2c(c1)C(=O)C(=O)N2C[C@H](CO)[NH2+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1 ZINC000169328156 562858293 /nfs/dbraw/zinc/85/82/93/562858293.db2.gz ZUCDWQDFTMGNAT-LLUMWLLPSA-N 1 2 515.997 3.626 1 0 KHAFLO Cc1ccc(N2C(=O)[C@@H]([NH2+][C@@H](CO)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328160 562858288 /nfs/dbraw/zinc/85/82/88/562858288.db2.gz POMMXGYJPFSZCA-BTICFWIJSA-N 1 2 515.997 3.626 1 0 KHAFLO Cc1ccc(N2C(=O)[C@@H]([NH2+][C@H](CO)CN3C(=O)C(=O)c4cc(Cl)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000169328163 562858297 /nfs/dbraw/zinc/85/82/97/562858297.db2.gz POMMXGYJPFSZCA-WQBSLRHSSA-N 1 2 515.997 3.626 1 0 KHAFLO O=C1[C@@H]([NH2+][C@@H](CO)CN2C(=O)C(=O)c3cc(Cl)ccc32)[C@@H](/C=C/c2ccccc2)N1c1ccc(Cl)cc1 ZINC000169328165 562858265 /nfs/dbraw/zinc/85/82/65/562858265.db2.gz ZQLLXVBHRGPITE-WRZVJWBGSA-N 1 2 536.415 3.971 1 0 KHAFLO O=C1[C@@H]([NH2+][C@H](CO)CN2C(=O)C(=O)c3cc(Cl)ccc32)[C@@H](/C=C/c2ccccc2)N1c1ccc(Cl)cc1 ZINC000169328167 562858275 /nfs/dbraw/zinc/85/82/75/562858275.db2.gz ZQLLXVBHRGPITE-CFAUUSTCSA-N 1 2 536.415 3.971 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332120 562859113 /nfs/dbraw/zinc/85/91/13/562859113.db2.gz DVKRGBKLBUBBRE-UHFFFAOYSA-N 1 2 555.660 3.988 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332122 562859119 /nfs/dbraw/zinc/85/91/19/562859119.db2.gz QUGYQBYWGZYWAK-UHFFFAOYSA-N 1 2 569.687 3.917 1 0 KHAFLO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332131 562859103 /nfs/dbraw/zinc/85/91/03/562859103.db2.gz RJBQBCGUVQKYIY-UHFFFAOYSA-N 1 2 640.766 3.770 1 0 KHAFLO CNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](COC)C2)c(Cl)c1 ZINC000169343911 562861302 /nfs/dbraw/zinc/86/13/02/562861302.db2.gz QQLBKYNSZMSSMU-JOCHJYFZSA-N 1 2 506.478 3.550 1 0 KHAFLO CNC(=O)c1cnc(N2CC[N@@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](COC)C2)c(Cl)c1 ZINC000169343911 562861301 /nfs/dbraw/zinc/86/13/01/562861301.db2.gz QQLBKYNSZMSSMU-JOCHJYFZSA-N 1 2 506.478 3.550 1 0 KHAFLO COc1cc(C=CC(=O)O[C@@H]2C[N@@H+](C)CC[C@@H]2c2c(=O)cc(O)c3c(O)cc(C)oc2-3)cc(OC)c1OC ZINC000169344531 562861393 /nfs/dbraw/zinc/86/13/93/562861393.db2.gz XAIGRQCJYCLMQC-UKRSXTBFSA-N 1 2 525.554 3.583 1 0 KHAFLO COc1cc(C=CC(=O)O[C@@H]2C[N@H+](C)CC[C@@H]2c2c(=O)cc(O)c3c(O)cc(C)oc2-3)cc(OC)c1OC ZINC000169344531 562861392 /nfs/dbraw/zinc/86/13/92/562861392.db2.gz XAIGRQCJYCLMQC-UKRSXTBFSA-N 1 2 525.554 3.583 1 0 KHAFLO COc1cc(C=CC(=O)O[C@@H]2C[N@@H+](C)CC[C@@H]2c2c(O)cc(=O)c3c(O)cc(C)oc2-3)cc(OC)c1OC ZINC000169344531 562861391 /nfs/dbraw/zinc/86/13/91/562861391.db2.gz XAIGRQCJYCLMQC-UKRSXTBFSA-N 1 2 525.554 3.583 1 0 KHAFLO COc1cc(C=CC(=O)O[C@@H]2C[N@H+](C)CC[C@@H]2c2c(O)cc(=O)c3c(O)cc(C)oc2-3)cc(OC)c1OC ZINC000169344531 562861390 /nfs/dbraw/zinc/86/13/90/562861390.db2.gz XAIGRQCJYCLMQC-UKRSXTBFSA-N 1 2 525.554 3.583 1 0 KHAFLO Cc1c(O)ccc2c(NCC[NH+]3CCOCC3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349095 562862422 /nfs/dbraw/zinc/86/24/22/562862422.db2.gz UCNIODWTJWXITC-UHFFFAOYSA-N 1 2 507.587 3.907 1 0 KHAFLO CC(=O)O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/c2cn(C)c[nH+]2)[C@]2(C)C=C[C@@]1(OCC(C)(C)CO)O2 ZINC000169358237 562863976 /nfs/dbraw/zinc/86/39/76/562863976.db2.gz QDIHVYNYWHNLAO-LUCLAKNASA-N 1 2 728.880 3.633 1 0 KHAFLO O=C(CCN1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)CC[NH+]3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697968 562866796 /nfs/dbraw/zinc/86/67/96/562866796.db2.gz ZKQOJEAHEDTBEX-MEKGRNQZSA-N 1 2 835.022 3.931 1 0 KHAFLO O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)CC[NH+]3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697968 562866795 /nfs/dbraw/zinc/86/67/95/562866795.db2.gz ZKQOJEAHEDTBEX-MEKGRNQZSA-N 1 2 835.022 3.931 1 0 KHAFLO O=C(CCN1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)CC[NH+]3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697969 562866762 /nfs/dbraw/zinc/86/67/62/562866762.db2.gz ZKQOJEAHEDTBEX-ACHIHNKUSA-N 1 2 835.022 3.931 1 0 KHAFLO O=C(CCN1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)CC[NH+]3CCOCC3)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697970 562866789 /nfs/dbraw/zinc/86/67/89/562866789.db2.gz ZKQOJEAHEDTBEX-ROJLCIKYSA-N 1 2 835.022 3.931 1 0 KHAFLO O=C(CC[NH+]1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698032 562866821 /nfs/dbraw/zinc/86/68/21/562866821.db2.gz IYARYUXVHHNPBI-IZZNHLLZSA-N 1 2 693.852 3.657 1 0 KHAFLO O=C(CC[NH+]1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698033 562866836 /nfs/dbraw/zinc/86/68/36/562866836.db2.gz IYARYUXVHHNPBI-UIOOFZCWSA-N 1 2 693.852 3.657 1 0 KHAFLO O=C(CC[NH+]1CCOCC1)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698034 562866838 /nfs/dbraw/zinc/86/68/38/562866838.db2.gz IYARYUXVHHNPBI-CLJLJLNGSA-N 1 2 693.852 3.657 1 0 KHAFLO O=C(CC[NH+]1CCOCC1)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698035 562866872 /nfs/dbraw/zinc/86/68/72/562866872.db2.gz IYARYUXVHHNPBI-FTJBHMTQSA-N 1 2 693.852 3.657 1 0 KHAFLO O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccc(OCC[NH+]4CCOCC4)c3)s2)s1 ZINC000169698055 562866843 /nfs/dbraw/zinc/86/68/43/562866843.db2.gz PUDKTDVGIWAFBM-UHFFFAOYSA-N 1 2 783.015 3.692 1 0 KHAFLO O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(OCC[NH+]4CCOCC4)c3)s2)s1 ZINC000169698275 562867067 /nfs/dbraw/zinc/86/70/67/562867067.db2.gz RFUSVUAKNAMPQU-UHFFFAOYSA-N 1 2 639.829 3.939 1 0 KHAFLO O=C(Cc1cccc(OCC[NH+]2CCOCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698278 562867091 /nfs/dbraw/zinc/86/70/91/562867091.db2.gz AIRSHCVPEWUDPC-UHFFFAOYSA-N 1 2 615.760 3.967 1 0 KHAFLO COc1cc(OC2CN(C(=O)c3nnc(-c4ccc(C(F)F)cc4)o3)C2)ccc1C[N@H+]1CCCC12COC2 ZINC000169701438 562868069 /nfs/dbraw/zinc/86/80/69/562868069.db2.gz DUESALZBIYFLJJ-UHFFFAOYSA-N 1 2 526.540 3.951 1 0 KHAFLO COc1cc(OC2CN(C(=O)c3nnc(-c4ccc(C(F)F)cc4)o3)C2)ccc1C[N@@H+]1CCCC12COC2 ZINC000169701438 562868068 /nfs/dbraw/zinc/86/80/68/562868068.db2.gz DUESALZBIYFLJJ-UHFFFAOYSA-N 1 2 526.540 3.951 1 0 KHAFLO CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-n4cc[nH+]c4)c3)c12 ZINC000169703503 562868815 /nfs/dbraw/zinc/86/88/15/562868815.db2.gz HYLMTMYNCWOTDQ-UHFFFAOYSA-N 1 2 525.617 3.730 1 0 KHAFLO O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4nccc(C(=O)N5CCOCC5)n4)ccn32)c1 ZINC000169704684 562869058 /nfs/dbraw/zinc/86/90/58/562869058.db2.gz GEQGHWNTAPHVFL-UHFFFAOYSA-N 1 2 525.491 3.615 1 0 KHAFLO CS(=O)(=O)Nc1nc(-c2ccn3c(c2)[nH+]cc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704721 562869154 /nfs/dbraw/zinc/86/91/54/562869154.db2.gz UECMCQUYFRUDBW-UHFFFAOYSA-N 1 2 523.472 3.653 1 0 KHAFLO COCCOc1cc(NC(=O)NCC(F)(F)F)cc(-c2c[nH+]c3cc(-c4ncc(F)c(N)n4)ccn32)c1 ZINC000169704727 562869124 /nfs/dbraw/zinc/86/91/24/562869124.db2.gz INZWQYHHQXPVDZ-UHFFFAOYSA-N 1 2 519.459 3.889 1 0 KHAFLO Cn1ncc(-c2nn(C)c3nc[nH+]c(N4CC[C@@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(Cl)c(F)c1 ZINC000169706089 562869888 /nfs/dbraw/zinc/86/98/88/562869888.db2.gz WPHAWSOFZZNEJI-MRXNPFEDSA-N 1 2 530.029 3.627 1 0 KHAFLO Cn1ncc(-c2nn(C)c3nc[nH+]c(N4CC[C@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(Cl)c(F)c1 ZINC000169706090 562869894 /nfs/dbraw/zinc/86/98/94/562869894.db2.gz WPHAWSOFZZNEJI-INIZCTEOSA-N 1 2 530.029 3.627 1 0 KHAFLO Cn1ncc(-c2nn(C)c3nc[nH+]c(N4CC[C@@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706100 562869870 /nfs/dbraw/zinc/86/98/70/562869870.db2.gz PNSOPMMKOBFTOC-OAQYLSRUSA-N 1 2 517.659 3.712 1 0 KHAFLO Cn1ncc(-c2nn(C)c3nc[nH+]c(N4CC[C@H](S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706101 562869880 /nfs/dbraw/zinc/86/98/80/562869880.db2.gz PNSOPMMKOBFTOC-NRFANRHFSA-N 1 2 517.659 3.712 1 0 KHAFLO CCOC(=O)CN1CC[NH+](Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706725 562869902 /nfs/dbraw/zinc/86/99/02/562869902.db2.gz ATJYDIOQFNWQJX-UHFFFAOYSA-N 1 2 514.634 3.914 1 0 KHAFLO COC(=O)C[NH2+]C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706921 562869914 /nfs/dbraw/zinc/86/99/14/562869914.db2.gz JSMQRWBYWSIQRV-UHFFFAOYSA-N 1 2 500.607 3.965 1 0 KHAFLO CCN1CC[NH+](Cc2ccc(C(=O)Cn3ccc(OCc4ccc(Br)cn4)cc3=O)c(C)c2)CC1 ZINC000169711418 562870896 /nfs/dbraw/zinc/87/08/96/562870896.db2.gz QYUDCPSTENHFQT-UHFFFAOYSA-N 1 2 539.474 3.914 1 0 KHAFLO Cc1cc(C[NH+]2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711419 562870904 /nfs/dbraw/zinc/87/09/04/562870904.db2.gz VISHLLJNOKGYBF-UHFFFAOYSA-N 1 2 512.404 3.608 1 0 KHAFLO Cc1cc(C[NH+]2CCN(C)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711422 562870883 /nfs/dbraw/zinc/87/08/83/562870883.db2.gz IZWVFAAELZQFKW-UHFFFAOYSA-N 1 2 525.447 3.524 1 0 KHAFLO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000169713121 562871243 /nfs/dbraw/zinc/87/12/43/562871243.db2.gz IHXQKCRTBPLHBR-STVCLKQXSA-N 1 2 657.853 3.805 1 0 KHAFLO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000169713121 562871242 /nfs/dbraw/zinc/87/12/42/562871242.db2.gz IHXQKCRTBPLHBR-STVCLKQXSA-N 1 2 657.853 3.805 1 0 KHAFLO CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713125 562871265 /nfs/dbraw/zinc/87/12/65/562871265.db2.gz BAOZWCQPDXWGKQ-STVCLKQXSA-N 1 2 627.827 3.654 1 0 KHAFLO CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713125 562871264 /nfs/dbraw/zinc/87/12/64/562871264.db2.gz BAOZWCQPDXWGKQ-STVCLKQXSA-N 1 2 627.827 3.654 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000169713137 562871251 /nfs/dbraw/zinc/87/12/51/562871251.db2.gz IGJMWGUHBVBEBD-JSLVBRCRSA-N 1 2 593.810 3.600 1 0 KHAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000169713137 562871250 /nfs/dbraw/zinc/87/12/50/562871250.db2.gz IGJMWGUHBVBEBD-JSLVBRCRSA-N 1 2 593.810 3.600 1 0 KHAFLO COc1cccc(F)c1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000199800812 562873061 /nfs/dbraw/zinc/87/30/61/562873061.db2.gz JZCGGUUWRVLBIH-UXHICEINSA-N 1 2 542.571 3.730 1 0 KHAFLO COc1cccc(F)c1C[N@H+]1C[C@H](C(=O)[O-])C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000199800812 562873060 /nfs/dbraw/zinc/87/30/60/562873060.db2.gz JZCGGUUWRVLBIH-UXHICEINSA-N 1 2 542.571 3.730 1 0 KHAFLO COc1cccc(F)c1C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@H](C(=O)[O-])C1 ZINC000199800846 562873079 /nfs/dbraw/zinc/87/30/79/562873079.db2.gz JZCGGUUWRVLBIH-PMACEKPBSA-N 1 2 542.571 3.730 1 0 KHAFLO COc1cccc(F)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C[C@H](C(=O)[O-])C1 ZINC000199800846 562873078 /nfs/dbraw/zinc/87/30/78/562873078.db2.gz JZCGGUUWRVLBIH-PMACEKPBSA-N 1 2 542.571 3.730 1 0 KHAFLO CN(C)C(=O)[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805514 562873124 /nfs/dbraw/zinc/87/31/24/562873124.db2.gz KDRBIKPUDBNQPU-FQRUVTKNSA-N 1 2 500.578 3.788 1 0 KHAFLO CN(C)C(=O)[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805514 562873123 /nfs/dbraw/zinc/87/31/23/562873123.db2.gz KDRBIKPUDBNQPU-FQRUVTKNSA-N 1 2 500.578 3.788 1 0 KHAFLO CN(C)C(=O)[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805537 562873149 /nfs/dbraw/zinc/87/31/49/562873149.db2.gz KDRBIKPUDBNQPU-IBVKSMDESA-N 1 2 500.578 3.788 1 0 KHAFLO CN(C)C(=O)[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000199805537 562873148 /nfs/dbraw/zinc/87/31/48/562873148.db2.gz KDRBIKPUDBNQPU-IBVKSMDESA-N 1 2 500.578 3.788 1 0 KHAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000199982250 562873196 /nfs/dbraw/zinc/87/31/96/562873196.db2.gz PAROORWLJACPDE-OAQYLSRUSA-N 1 2 596.677 3.574 1 0 KHAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000199982250 562873195 /nfs/dbraw/zinc/87/31/95/562873195.db2.gz PAROORWLJACPDE-OAQYLSRUSA-N 1 2 596.677 3.574 1 0 KHAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000199988856 562873249 /nfs/dbraw/zinc/87/32/49/562873249.db2.gz QPRQAMJAZOKYBP-OAQYLSRUSA-N 1 2 504.616 3.851 1 0 KHAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000199988856 562873248 /nfs/dbraw/zinc/87/32/48/562873248.db2.gz QPRQAMJAZOKYBP-OAQYLSRUSA-N 1 2 504.616 3.851 1 0 KHAFLO Cc1nnnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)cc1 ZINC000199994550 562873256 /nfs/dbraw/zinc/87/32/56/562873256.db2.gz RWWWTYVWJMHJEE-HSZRJFAPSA-N 1 2 528.642 3.645 1 0 KHAFLO Cc1nnnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)cc1 ZINC000199994550 562873255 /nfs/dbraw/zinc/87/32/55/562873255.db2.gz RWWWTYVWJMHJEE-HSZRJFAPSA-N 1 2 528.642 3.645 1 0 KHAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000200004227 562873205 /nfs/dbraw/zinc/87/32/05/562873205.db2.gz QPRQAMJAZOKYBP-NRFANRHFSA-N 1 2 504.616 3.851 1 0 KHAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1 ZINC000200004227 562873204 /nfs/dbraw/zinc/87/32/04/562873204.db2.gz QPRQAMJAZOKYBP-NRFANRHFSA-N 1 2 504.616 3.851 1 0 KHAFLO COc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCN(c5ccccc5)CC4)CC3)nc2-c2ccc(OC)cc2)cc1 ZINC000200026637 562873287 /nfs/dbraw/zinc/87/32/87/562873287.db2.gz ZWLWZUGHMCTDGR-UHFFFAOYSA-N 1 2 579.705 3.694 1 0 KHAFLO COc1ccc[nH+]c1NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)c(C)c2)C1 ZINC000200260374 562873324 /nfs/dbraw/zinc/87/33/24/562873324.db2.gz JESHRXZXXYLZIX-UHFFFAOYSA-N 1 2 503.584 3.684 1 0 KHAFLO COc1cc[nH+]cc1NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)c(C)c2)C1 ZINC000200261965 562873344 /nfs/dbraw/zinc/87/33/44/562873344.db2.gz NCQWAAZOWWWJRQ-UHFFFAOYSA-N 1 2 503.584 3.684 1 0 KHAFLO NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCn3cc[nH+]c3)ccc21 ZINC000200872811 562873441 /nfs/dbraw/zinc/87/34/41/562873441.db2.gz CVRZELFHVFIRPR-VEYWIMSWSA-N 1 2 580.020 3.947 1 0 KHAFLO CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3[nH+]c2NCCNC(C)=O)c2cc(OC)c(OC)cc12 ZINC000201610428 562873577 /nfs/dbraw/zinc/87/35/77/562873577.db2.gz ZBCJQWUIOZRMTM-UHFFFAOYSA-N 1 2 504.587 3.803 1 0 KHAFLO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@H+](Cc5cccs5)C4)cc32)ccn1 ZINC000205011577 562874721 /nfs/dbraw/zinc/87/47/21/562874721.db2.gz YGINAOFEJNQYRG-YKSBVNFPSA-N 1 2 502.644 3.846 1 0 KHAFLO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@@H+](Cc5cccs5)C4)cc32)ccn1 ZINC000205011577 562874720 /nfs/dbraw/zinc/87/47/20/562874720.db2.gz YGINAOFEJNQYRG-YKSBVNFPSA-N 1 2 502.644 3.846 1 0 KHAFLO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@H+](Cc5ccccc5F)C4)cc32)ccn1 ZINC000205036834 562874798 /nfs/dbraw/zinc/87/47/98/562874798.db2.gz HPZYPNPHNLRMBN-GJZUVCINSA-N 1 2 514.605 3.924 1 0 KHAFLO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@@H+](Cc5ccccc5F)C4)cc32)ccn1 ZINC000205036834 562874797 /nfs/dbraw/zinc/87/47/97/562874797.db2.gz HPZYPNPHNLRMBN-GJZUVCINSA-N 1 2 514.605 3.924 1 0 KHAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000205507328 562875482 /nfs/dbraw/zinc/87/54/82/562875482.db2.gz PMQFDCUYRHLMLM-CHWSQXEVSA-N 1 2 502.515 3.667 1 0 KHAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@]2(F)C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1F ZINC000205510455 562875468 /nfs/dbraw/zinc/87/54/68/562875468.db2.gz YKHBPEAAJKQFPN-XOBRGWDASA-N 1 2 502.515 3.620 1 0 KHAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@]2(F)C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1F ZINC000205510470 562875471 /nfs/dbraw/zinc/87/54/71/562875471.db2.gz YKHBPEAAJKQFPN-VLIAUNLRSA-N 1 2 502.515 3.620 1 0 KHAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@]2(F)C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1F ZINC000205510483 562875509 /nfs/dbraw/zinc/87/55/09/562875509.db2.gz YKHBPEAAJKQFPN-VBKZILBWSA-N 1 2 502.515 3.620 1 0 KHAFLO O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@]2(F)C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1F ZINC000205510498 562875463 /nfs/dbraw/zinc/87/54/63/562875463.db2.gz YKHBPEAAJKQFPN-JLTOFOAXSA-N 1 2 502.515 3.620 1 0 KHAFLO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCC[NH+]1CCOCC1)c2=O ZINC000209653888 562876945 /nfs/dbraw/zinc/87/69/45/562876945.db2.gz GLZIAUIVYRVWMY-UHFFFAOYSA-N 1 2 515.559 3.604 1 0 KHAFLO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCN1CC[NH+](C)CC1)c2=O ZINC000209653930 562876961 /nfs/dbraw/zinc/87/69/61/562876961.db2.gz SGQPXSFUAMUNPN-UHFFFAOYSA-N 1 2 528.602 3.519 1 0 KHAFLO C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3c[nH+]c(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F ZINC000210240703 562876996 /nfs/dbraw/zinc/87/69/96/562876996.db2.gz UYKUWFVECUXJLS-ZDUSSCGKSA-N 1 2 559.578 3.806 1 0 KHAFLO C=CC(=O)N1CC2(CC(n3nc(-c4ccc(-c5cnc(Cc6ccccc6)n(C)c5=O)cc4F)c4c3nc[nH+]c4N)C2)C1 ZINC000214210480 562877326 /nfs/dbraw/zinc/87/73/26/562877326.db2.gz VPAFMRVMSIUGST-UHFFFAOYSA-N 1 2 576.636 3.916 1 0 KHAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]c1=O ZINC000221772332 562879238 /nfs/dbraw/zinc/87/92/38/562879238.db2.gz MOKNJECIBAXMKC-ULJHMMPZSA-N 1 2 553.644 3.720 1 0 KHAFLO CCCC1=[NH+]C=C[C@@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815698 562881172 /nfs/dbraw/zinc/88/11/72/562881172.db2.gz YLXGHYNOVVAPOV-CRAIPNDOSA-N 1 2 501.634 3.547 1 0 KHAFLO CCCC1=[NH+]C=C[C@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815719 562881156 /nfs/dbraw/zinc/88/11/56/562881156.db2.gz YLXGHYNOVVAPOV-MAUKXSAKSA-N 1 2 501.634 3.547 1 0 KHAFLO CCCC1=[NH+]C=C[C@@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815744 562881182 /nfs/dbraw/zinc/88/11/82/562881182.db2.gz YLXGHYNOVVAPOV-QAPCUYQASA-N 1 2 501.634 3.547 1 0 KHAFLO CCCC1=[NH+]C=C[C@H]1c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccc1S(C)(=O)=O ZINC000230815768 562881158 /nfs/dbraw/zinc/88/11/58/562881158.db2.gz YLXGHYNOVVAPOV-YJBOKZPZSA-N 1 2 501.634 3.547 1 0 KHAFLO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(CC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cs2)ncc1Cl ZINC000299824760 562883410 /nfs/dbraw/zinc/88/34/10/562883410.db2.gz HQRZZEPQAZCNTH-CALCHBBNSA-N 1 2 576.148 3.818 1 0 KHAFLO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(CC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cs2)ncc1Cl ZINC000299824760 562883409 /nfs/dbraw/zinc/88/34/09/562883409.db2.gz HQRZZEPQAZCNTH-CALCHBBNSA-N 1 2 576.148 3.818 1 0 KHAFLO CCC[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(C(=O)c2c[nH+]c(N)nc2N)cc(OC)c1OC ZINC000299826257 562883820 /nfs/dbraw/zinc/88/38/20/562883820.db2.gz ZVXFMWDACTUOJG-RQWLHQTBSA-N 1 2 500.559 3.620 1 0 KHAFLO CCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(C(=O)c2c[nH+]c(N)nc2N)cc(OC)c1OC ZINC000299826265 562883828 /nfs/dbraw/zinc/88/38/28/562883828.db2.gz ZVXFMWDACTUOJG-ZJVMWOEPSA-N 1 2 500.559 3.620 1 0 KHAFLO Cn1ccc2cc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CC[NH+](C)CC5)cc4s3)cc21 ZINC000299826559 562883887 /nfs/dbraw/zinc/88/38/87/562883887.db2.gz GYIZXHDZGGPKCM-UHFFFAOYSA-N 1 2 589.143 3.815 1 0 KHAFLO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cs2)ncc1Cl ZINC000299828940 562884650 /nfs/dbraw/zinc/88/46/50/562884650.db2.gz XZYQPHVVZVZMNA-IYBDPMFKSA-N 1 2 562.121 3.889 1 0 KHAFLO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cs2)ncc1Cl ZINC000299828940 562884649 /nfs/dbraw/zinc/88/46/49/562884649.db2.gz XZYQPHVVZVZMNA-IYBDPMFKSA-N 1 2 562.121 3.889 1 0 KHAFLO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](CCO)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299829585 562884937 /nfs/dbraw/zinc/88/49/37/562884937.db2.gz KKOKADSYNDTGQS-UHFFFAOYSA-N 1 2 570.694 3.815 1 0 KHAFLO CN1CCc2cc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)C5CC[NH+](C)CC5)cc4s3)cc21 ZINC000299830007 562885028 /nfs/dbraw/zinc/88/50/28/562885028.db2.gz UPCYNCGGAXOFLY-UHFFFAOYSA-N 1 2 548.090 3.772 1 0 KHAFLO CCn1c(-c2ccc(OCCN(C)c3cccc[nH+]3)cc2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000299831010 562885440 /nfs/dbraw/zinc/88/54/40/562885440.db2.gz ZSGPEPYNCSWLTK-UHFFFAOYSA-N 1 2 528.588 3.681 1 0 KHAFLO COc1cccc(N2CC[NH+](CC(=O)N3CCN(c4nnc(-c5ccccc5)c(-c5ccccc5)n4)CC3)CC2)c1 ZINC000299832875 562886017 /nfs/dbraw/zinc/88/60/17/562886017.db2.gz GWBPYLPEBDHDQU-UHFFFAOYSA-N 1 2 549.679 3.685 1 0 KHAFLO C[C@H](O)CNc1nc(-n2ccnc2C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)c(N4CCOCC4)c3)cc2)cc[nH+]1 ZINC000299833862 562886311 /nfs/dbraw/zinc/88/63/11/562886311.db2.gz AFAJZEQORRCPJU-SFHVURJKSA-N 1 2 595.582 3.794 1 0 KHAFLO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000299837333 562887453 /nfs/dbraw/zinc/88/74/53/562887453.db2.gz QFAKGPCIDSXYBR-UHFFFAOYSA-N 1 2 519.653 3.676 1 0 KHAFLO COc1ccccc1N1CC[NH+](CC(=O)N2CCN(c3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)CC1 ZINC000299837580 562887525 /nfs/dbraw/zinc/88/75/25/562887525.db2.gz ROVMXNYEUUKKGW-UHFFFAOYSA-N 1 2 549.679 3.685 1 0 KHAFLO COc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCN(c5ccccc5OC)CC4)CC3)nc2-c2ccc(OC)cc2)cc1 ZINC000299838629 562887918 /nfs/dbraw/zinc/88/79/18/562887918.db2.gz VPLCFZRTTJNUHR-UHFFFAOYSA-N 1 2 609.731 3.702 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840371 562888531 /nfs/dbraw/zinc/88/85/31/562888531.db2.gz VFXBGUYEVNSPLY-GMNUYAGJSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840371 562888530 /nfs/dbraw/zinc/88/85/30/562888530.db2.gz VFXBGUYEVNSPLY-GMNUYAGJSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840372 562888527 /nfs/dbraw/zinc/88/85/27/562888527.db2.gz VFXBGUYEVNSPLY-IAPUPIHWSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840372 562888526 /nfs/dbraw/zinc/88/85/26/562888526.db2.gz VFXBGUYEVNSPLY-IAPUPIHWSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840373 562888540 /nfs/dbraw/zinc/88/85/40/562888540.db2.gz VFXBGUYEVNSPLY-NPWCLTBYSA-N 1 2 785.987 3.827 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000299840373 562888539 /nfs/dbraw/zinc/88/85/39/562888539.db2.gz VFXBGUYEVNSPLY-NPWCLTBYSA-N 1 2 785.987 3.827 1 0 KHAFLO C[C@H](O)CNc1nc(-n2ccnc2C(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000299840699 562888618 /nfs/dbraw/zinc/88/86/18/562888618.db2.gz YTYHTQDTPUVVFQ-HNNXBMFYSA-N 1 2 510.476 3.957 1 0 KHAFLO C[C@H](O)CNc1nc(-n2ccnc2C(=O)c2cccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000299840867 562888654 /nfs/dbraw/zinc/88/86/54/562888654.db2.gz ZRJIJLNSFAFTIK-SFHVURJKSA-N 1 2 595.582 3.794 1 0 KHAFLO CO[C@]12CC[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C[C@@H]1[C@H](/C=C\2CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)[C@@H](C(C)C)CC[C@@H]1C ZINC000299844254 562889228 /nfs/dbraw/zinc/88/92/28/562889228.db2.gz NFEUWFOVNSLTGQ-DZUFEKSVSA-N 1 2 660.805 3.548 1 0 KHAFLO CS(=O)(=O)CCCOc1cccc2c1ccn2-c1cc[nH+]c(N[C@H]2CC[C@H](C(=O)N3CC[C@@H](F)C3)CC2)n1 ZINC000299845697 562889544 /nfs/dbraw/zinc/88/95/44/562889544.db2.gz PLJKGPIWOOUPAJ-NJDAHSKKSA-N 1 2 543.665 3.775 1 0 KHAFLO COC1CCN(C(=O)[C@H]2CC[C@H](Nc3nc(-n4ccc5c4cccc5OCCCS(C)(=O)=O)cc[nH+]3)CC2)CC1 ZINC000299845700 562889531 /nfs/dbraw/zinc/88/95/31/562889531.db2.gz PNNXIBYYPQRHFG-HZCBDIJESA-N 1 2 569.728 3.842 1 0 KHAFLO C[NH+](C)CC(=O)O[C@H]1CC[C@H](N2CCN(C(=O)c3nc4c(C(F)(F)F)cc(C5CC5)cn4c3Cl)CC2=O)CC1 ZINC000299846132 562889657 /nfs/dbraw/zinc/88/96/57/562889657.db2.gz UGMUAJLULRPKIS-IYARVYRRSA-N 1 2 570.012 3.584 1 0 KHAFLO COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccccc5)c[nH+]c4N4CCOCC4)nn3)C2)cc(OC)c1OC ZINC000299854997 562891506 /nfs/dbraw/zinc/89/15/06/562891506.db2.gz AUPJANYUULJCAH-HHHXNRCGSA-N 1 2 600.676 3.961 1 0 KHAFLO COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccccc5)c[nH+]c4N4CCOCC4)nn3)C2)cc(OC)c1OC ZINC000299854999 562891499 /nfs/dbraw/zinc/89/14/99/562891499.db2.gz AUPJANYUULJCAH-MHZLTWQESA-N 1 2 600.676 3.961 1 0 KHAFLO COC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C ZINC000299856669 562891980 /nfs/dbraw/zinc/89/19/80/562891980.db2.gz DCYGSPZDKFBZBJ-DLBZAZTESA-N 1 2 551.488 3.894 1 0 KHAFLO COC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857022 562892041 /nfs/dbraw/zinc/89/20/41/562892041.db2.gz DNYWWGYLFIXFGK-ROUUACIJSA-N 1 2 551.488 3.894 1 0 KHAFLO COC(=O)C1CC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCC[C@H]2COc2ccc(F)cc2)c2ccccc2)CC1 ZINC000299859173 562892646 /nfs/dbraw/zinc/89/26/46/562892646.db2.gz FIOIIRFXJBRKNO-OMPCMIHXSA-N 1 2 737.914 4.000 1 0 KHAFLO O=C(NC[C@H]1CN(c2ccc(-n3cccc3C[NH+]3CCOCC3)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000299859586 562892774 /nfs/dbraw/zinc/89/27/74/562892774.db2.gz IHTSNFBWZKLSQM-FQEVSTJZSA-N 1 2 501.008 3.780 1 0 KHAFLO COC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299860245 562892886 /nfs/dbraw/zinc/89/28/86/562892886.db2.gz IXDYLFIBMWUYFK-VXKWHMMOSA-N 1 2 643.541 3.982 1 0 KHAFLO C[NH+]1CCN(CCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299864681 562894175 /nfs/dbraw/zinc/89/41/75/562894175.db2.gz RUWCSNLMVYBEGQ-UHFFFAOYSA-N 1 2 532.620 3.951 1 0 KHAFLO CC[C@H](C)[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](Cc1cn(C)c[nH+]1)C(=O)OC ZINC000299865077 562894295 /nfs/dbraw/zinc/89/42/95/562894295.db2.gz SPQUORMVUISNHB-IGNZVWTISA-N 1 2 551.488 3.894 1 0 KHAFLO COc1cc(COCc2cn(Cc3cc(-c4ccccc4)c[nH+]c3N3CCOCC3)nn2)cc(OC)c1OC ZINC000299865744 562894499 /nfs/dbraw/zinc/89/44/99/562894499.db2.gz UKAQGCDERHDXQN-UHFFFAOYSA-N 1 2 531.613 3.968 1 0 KHAFLO O=c1ccc(-n2ccc3ccc(F)cc32)nn1Cc1cccc(-c2ncc(OCC[NH+]3CCOCC3)cn2)c1 ZINC000299866004 562894559 /nfs/dbraw/zinc/89/45/59/562894559.db2.gz VAPYMSUWZDXTGJ-UHFFFAOYSA-N 1 2 526.572 3.543 1 0 KHAFLO CCn1c[nH+]c(C[C@H](NC(=O)[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)C)C(=O)OC)c1 ZINC000299866765 562894746 /nfs/dbraw/zinc/89/47/46/562894746.db2.gz WSTUTEWHQBRCEZ-ROUUACIJSA-N 1 2 551.488 3.987 1 0 KHAFLO COC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C ZINC000299867275 562894839 /nfs/dbraw/zinc/89/48/39/562894839.db2.gz XTYDRDGSHBFNRY-IRXDYDNUSA-N 1 2 537.461 3.504 1 0 KHAFLO CN1CC[NH+](Cc2cccn2-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CC1 ZINC000299867857 562894957 /nfs/dbraw/zinc/89/49/57/562894957.db2.gz YXPSTFLJPSYOCR-NRFANRHFSA-N 1 2 514.051 3.695 1 0 KHAFLO CC(C)C[C@H](NC(=O)C[NH+]1CCC(O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000299870686 562895510 /nfs/dbraw/zinc/89/55/10/562895510.db2.gz WRZWTZCKHFDTRH-PBTFQSKJSA-N 1 2 748.941 3.923 1 0 KHAFLO COc1cc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848958 562896515 /nfs/dbraw/zinc/89/65/15/562896515.db2.gz ORLWGGYXZBSTKG-UHFFFAOYSA-N 1 2 519.598 3.966 1 0 KHAFLO COc1ncc(-c2ccc3nc(NC(=O)NCCN4CC[NH+](C)CC4)sc3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473112679 562898727 /nfs/dbraw/zinc/89/87/27/562898727.db2.gz GADNWLMJPUJMIN-UHFFFAOYSA-N 1 2 599.714 3.676 1 0 KHAFLO COc1ncc(-c2ccc3nc(NC(=O)NCC[NH+](C)C)sc3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473114293 562898897 /nfs/dbraw/zinc/89/88/97/562898897.db2.gz MMPNESYYANFTSJ-UHFFFAOYSA-N 1 2 544.634 3.990 1 0 KHAFLO CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(C(=O)OCC[NH+]5CCOCC5)csc4n3)cc2)[nH]o1 ZINC000473116264 562899151 /nfs/dbraw/zinc/89/91/51/562899151.db2.gz WJDLMJWJCXVNIR-UHFFFAOYSA-N 1 2 538.630 3.903 1 0 KHAFLO CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)NCc2[nH+]ccn2C)cc1 ZINC000473220474 562904137 /nfs/dbraw/zinc/90/41/37/562904137.db2.gz AHJFGHVZVOCIKJ-FNCNDNGISA-N 1 2 654.106 3.671 1 0 KHAFLO CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)NCc2[nH+]ccn2C)cc1 ZINC000473220475 562904108 /nfs/dbraw/zinc/90/41/08/562904108.db2.gz AHJFGHVZVOCIKJ-ILXNMNDLSA-N 1 2 654.106 3.671 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653706042 562907786 /nfs/dbraw/zinc/90/77/86/562907786.db2.gz VRJIAKOJJZKDHH-DYESRHJHSA-N 1 2 565.984 3.922 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653706043 562907767 /nfs/dbraw/zinc/90/77/67/562907767.db2.gz VRJIAKOJJZKDHH-LAUBAEHRSA-N 1 2 565.984 3.922 1 0 KHAFLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653756186 562910976 /nfs/dbraw/zinc/91/09/76/562910976.db2.gz DVZLRZRNQACFMG-UHFFFAOYSA-N 1 2 573.675 3.646 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H]4CC[C@@H](C3)C4[NH2+]CC(=O)[O-])nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653787427 562912472 /nfs/dbraw/zinc/91/24/72/562912472.db2.gz MJLWMQYPBWNQPT-WEBFOWBXSA-N 1 2 565.984 3.778 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC([C@@H]([NH3+])CC(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653793880 562912855 /nfs/dbraw/zinc/91/28/55/562912855.db2.gz JIPCIBCDMWXNTO-HTAPYJJXSA-N 1 2 553.973 3.907 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC([C@H]([NH3+])CC(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653793888 562912841 /nfs/dbraw/zinc/91/28/41/562912841.db2.gz JIPCIBCDMWXNTO-VGOFRKELSA-N 1 2 553.973 3.907 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N)nc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)[nH+]2)C(F)(F)F)n1 ZINC000653795737 562913112 /nfs/dbraw/zinc/91/31/12/562913112.db2.gz COCRWHMQVKJVDQ-DYESRHJHSA-N 1 2 565.984 3.922 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N)nc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)[nH+]2)C(F)(F)F)n1 ZINC000653795739 562913100 /nfs/dbraw/zinc/91/31/00/562913100.db2.gz COCRWHMQVKJVDQ-LAUBAEHRSA-N 1 2 565.984 3.922 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC(C[NH2+]CC(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653798056 562913166 /nfs/dbraw/zinc/91/31/66/562913166.db2.gz FXJKCHJHITXJAV-JOCHJYFZSA-N 1 2 553.973 3.779 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC(C)([NH2+]CC(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653798114 562913156 /nfs/dbraw/zinc/91/31/56/562913156.db2.gz VTOJKGRQXVVUGS-OAQYLSRUSA-N 1 2 553.973 3.922 1 0 KHAFLO [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCc1cn(-c2ccccc2)nn1 ZINC000653798224 562913215 /nfs/dbraw/zinc/91/32/15/562913215.db2.gz FXYQLEJEDHHBNS-JGCGQSQUSA-N 1 2 673.778 3.710 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC([NH2+]CC(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653799675 562913327 /nfs/dbraw/zinc/91/33/27/562913327.db2.gz MZCRPJLEEYOCTN-OAQYLSRUSA-N 1 2 539.946 3.532 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@@]4(C[NH2+][C@@H](C(=O)[O-])C4)C3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653802175 562913489 /nfs/dbraw/zinc/91/34/89/562913489.db2.gz DZBAYRBNSFSQCL-AYPBNUJASA-N 1 2 551.957 3.532 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@@]4(C[NH2+][C@H](C(=O)[O-])C4)C3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653802176 562913463 /nfs/dbraw/zinc/91/34/63/562913463.db2.gz DZBAYRBNSFSQCL-LERMDLETSA-N 1 2 551.957 3.532 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@]4(C[NH2+][C@@H](C(=O)[O-])C4)C3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653802177 562913474 /nfs/dbraw/zinc/91/34/74/562913474.db2.gz DZBAYRBNSFSQCL-LQNXUBFPSA-N 1 2 551.957 3.532 1 0 KHAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC[C@]4(C[NH2+][C@H](C(=O)[O-])C4)C3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653802178 562913499 /nfs/dbraw/zinc/91/34/99/562913499.db2.gz DZBAYRBNSFSQCL-YBVWCTEOSA-N 1 2 551.957 3.532 1 0 KHAFLO COc1ccc(Cn2c3ccccc3[nH+]c2Cn2cc(F)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000653816502 562913970 /nfs/dbraw/zinc/91/39/70/562913970.db2.gz WYBRVOUTHLCKBN-UHFFFAOYSA-N 1 2 500.530 3.661 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc5nonc5c4)cc3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000653849890 562915397 /nfs/dbraw/zinc/91/53/97/562915397.db2.gz LKHSCDQAYWZGAB-ONEGZZNKSA-N 1 2 622.686 3.637 1 0 KHAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(Cl)cc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000653850084 562915443 /nfs/dbraw/zinc/91/54/43/562915443.db2.gz KUUYAEZGPLGUAU-UHFFFAOYSA-N 1 2 669.570 3.828 1 0 KHAFLO COc1cc(CCc2cc(Nc3ncnc4cc(NCC[NH+]5CCOCC5)ccc43)n[nH]2)cc(OC)c1 ZINC000653850833 562915502 /nfs/dbraw/zinc/91/55/02/562915502.db2.gz RRUKQYUSSNTAOJ-UHFFFAOYSA-N 1 2 503.607 3.643 1 0 KHAFLO COc1ccc(-n2c(C)nc3c2nc(-c2cccc(NC(C)=O)c2)nc3NCC[NH+]2CCOCC2)cc1OC ZINC000653878464 562916682 /nfs/dbraw/zinc/91/66/82/562916682.db2.gz CVYDKSOKEZDXHE-UHFFFAOYSA-N 1 2 531.617 3.511 1 0 KHAFLO COc1cc[nH+]cc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(Br)cc1 ZINC000653901789 562917523 /nfs/dbraw/zinc/91/75/23/562917523.db2.gz PNVSFAUCKFWCKP-UHFFFAOYSA-N 1 2 506.378 3.695 1 0 KHAFLO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)Nc1ccccc1F ZINC000008438213 561705519 /nfs/dbraw/zinc/70/55/19/561705519.db2.gz YNTLMUNDGDLVIB-UHFFFAOYSA-N 1 2 582.687 3.768 3 0 KHAFLO CCO[C@H]1OC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013118549 561711454 /nfs/dbraw/zinc/71/14/54/561711454.db2.gz QHFBEQUZSANKSJ-MOMDTQCHSA-N 1 2 508.615 3.509 3 0 KHAFLO O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013656845 561723211 /nfs/dbraw/zinc/72/32/11/561723211.db2.gz ZVFOEDYLSKHWAW-KCWPFWIISA-N 1 2 500.636 3.675 3 0 KHAFLO CCO[C@H]1OC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO ZINC000013656857 561723289 /nfs/dbraw/zinc/72/32/89/561723289.db2.gz RFFHERPTTILRQM-MOMDTQCHSA-N 1 2 514.663 3.921 3 0 KHAFLO O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013656915 561723228 /nfs/dbraw/zinc/72/32/28/561723228.db2.gz ZVFOEDYLSKHWAW-WNCULLNHSA-N 1 2 500.636 3.675 3 0 KHAFLO CCO[C@@H]1OC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=C[C@H](C2CCCCC2)[C@H]1CCCO ZINC000013656929 561723280 /nfs/dbraw/zinc/72/32/80/561723280.db2.gz RFFHERPTTILRQM-NDDXJGTKSA-N 1 2 514.663 3.921 3 0 KHAFLO COc1cc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661224 561723475 /nfs/dbraw/zinc/72/34/75/561723475.db2.gz GNDCZIUVHLDNSH-LJQANCHMSA-N 1 2 513.587 3.999 3 0 KHAFLO COc1cc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013661226 561723471 /nfs/dbraw/zinc/72/34/71/561723471.db2.gz GNDCZIUVHLDNSH-IBGZPJMESA-N 1 2 513.587 3.999 3 0 KHAFLO CC(=O)n1cc([C@@H]2C=C(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000017544708 561755534 /nfs/dbraw/zinc/75/55/34/561755534.db2.gz VEIIHKZRZTVMHA-XJFCNFDWSA-N 1 2 575.662 3.878 3 0 KHAFLO CC(=O)n1cc([C@H]2C=C(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000017544755 561755563 /nfs/dbraw/zinc/75/55/63/561755563.db2.gz VEIIHKZRZTVMHA-QXNWPYRLSA-N 1 2 575.662 3.878 3 0 KHAFLO O=C(C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017544766 561755508 /nfs/dbraw/zinc/75/55/08/561755508.db2.gz YXAUTOXRZSFULD-XYFQYJLHSA-N 1 2 586.641 3.911 3 0 KHAFLO O=C(NCC[NH+]1CCOCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000020388801 561758710 /nfs/dbraw/zinc/75/87/10/561758710.db2.gz DYJOYSNSQBXWGI-UHFFFAOYSA-N 1 2 505.619 3.973 3 0 KHAFLO COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCC[NH+]1CCOCC1 ZINC000036389415 562060622 /nfs/dbraw/zinc/06/06/22/562060622.db2.gz UMEYZYCZIHDHOE-WIOPSUGQSA-N 1 2 523.605 3.610 3 0 KHAFLO CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)cc3)[NH2+][C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144580 562064033 /nfs/dbraw/zinc/06/40/33/562064033.db2.gz UBWZIQSRZGVMQU-ACXCVDCASA-N 1 2 510.590 3.976 3 0 KHAFLO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc(Br)c(Br)o1 ZINC000043202324 562646930 /nfs/dbraw/zinc/64/69/30/562646930.db2.gz FQFFYVYBFUVPGG-UHFFFAOYSA-N 1 2 512.202 3.515 3 0 KHAFLO OC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c2ncnc3NCc2ccncc2)O1 ZINC000061896526 562702936 /nfs/dbraw/zinc/70/29/36/562702936.db2.gz CFPVTWLZSXKODX-IZZNHLLZSA-N 1 2 507.598 3.892 3 0 KHAFLO OC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c2ncnc3NCc2ccncc2)O1 ZINC000061896526 562702935 /nfs/dbraw/zinc/70/29/35/562702935.db2.gz CFPVTWLZSXKODX-IZZNHLLZSA-N 1 2 507.598 3.892 3 0 KHAFLO Cc1ncoc1C(=O)NCC1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1[N@H+]2CCOc1ccccc1 ZINC000061921156 562703175 /nfs/dbraw/zinc/70/31/75/562703175.db2.gz YNXZMOSXTMJSEX-HFZDXXHNSA-N 1 2 521.639 3.886 3 0 KHAFLO Cc1ncoc1C(=O)NCC1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1[N@@H+]2CCOc1ccccc1 ZINC000061921156 562703174 /nfs/dbraw/zinc/70/31/74/562703174.db2.gz YNXZMOSXTMJSEX-HFZDXXHNSA-N 1 2 521.639 3.886 3 0 KHAFLO COC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000061944730 562703796 /nfs/dbraw/zinc/70/37/96/562703796.db2.gz DDGBISKSGNVQLX-SFHVURJKSA-N 1 2 514.475 3.509 3 0 KHAFLO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCCn2cc[nH+]c2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C ZINC000064502329 562706028 /nfs/dbraw/zinc/70/60/28/562706028.db2.gz WYJJXSDUUTUBJN-CERFGUIQSA-N 1 2 553.107 3.719 3 0 KHAFLO COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC[NH+]4CCOCC4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064622531 562708907 /nfs/dbraw/zinc/70/89/07/562708907.db2.gz UZQLNPYFCMTPIG-OXSWOZIASA-N 1 2 640.781 3.631 3 0 KHAFLO CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000066128683 562712779 /nfs/dbraw/zinc/71/27/79/562712779.db2.gz IDZHNJIINBGJCO-XDAUYTPDSA-N 1 2 533.669 3.541 3 0 KHAFLO C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066129090 562712815 /nfs/dbraw/zinc/71/28/15/562712815.db2.gz DQGOWYHNUKZEAG-VNOSDSGASA-N 1 2 565.118 3.863 3 0 KHAFLO C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066136430 562713109 /nfs/dbraw/zinc/71/31/09/562713109.db2.gz PBBSVSDMMRUGAA-NGCWJHASSA-N 1 2 601.748 3.515 3 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000066148303 562713592 /nfs/dbraw/zinc/71/35/92/562713592.db2.gz IGBHCOPEKSAWQC-REHUZNOOSA-N 1 2 543.711 3.901 3 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O ZINC000066148303 562713591 /nfs/dbraw/zinc/71/35/91/562713591.db2.gz IGBHCOPEKSAWQC-REHUZNOOSA-N 1 2 543.711 3.901 3 0 KHAFLO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCn2cc[nH+]c2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000066167292 562714346 /nfs/dbraw/zinc/71/43/46/562714346.db2.gz DREHXMUMJUNJPF-SKYBXZRDSA-N 1 2 546.716 3.842 3 0 KHAFLO CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCCCn2cc[nH+]c2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000066167293 562714372 /nfs/dbraw/zinc/71/43/72/562714372.db2.gz DREHXMUMJUNJPF-BCIHLANJSA-N 1 2 546.716 3.842 3 0 KHAFLO CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc5c(c4)OCO5)cc3)[NH2+][C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000072103470 562720326 /nfs/dbraw/zinc/72/03/26/562720326.db2.gz LYXOYSKKDCNMNX-VIDGLSEISA-N 1 2 512.562 3.502 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1cc3ccccc3o1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072121371 562724222 /nfs/dbraw/zinc/72/42/22/562724222.db2.gz SXHMGUFMPPGZKP-NDEPHWFRSA-N 1 2 563.618 3.698 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1cc3ccccc3o1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072121372 562724219 /nfs/dbraw/zinc/72/42/19/562724219.db2.gz SXHMGUFMPPGZKP-MUUNZHRXSA-N 1 2 563.618 3.698 3 0 KHAFLO O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCC[NH+]1CCOCC1 ZINC000072122019 562724320 /nfs/dbraw/zinc/72/43/20/562724320.db2.gz FQCUBETZWDDTNR-RKBFCLKKSA-N 1 2 654.252 3.705 3 0 KHAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072126823 562725430 /nfs/dbraw/zinc/72/54/30/562725430.db2.gz MKYFJIRZPVGKIY-VBAODIHYSA-N 1 2 655.840 3.876 3 0 KHAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072126824 562725453 /nfs/dbraw/zinc/72/54/53/562725453.db2.gz MKYFJIRZPVGKIY-QZPCSKBNSA-N 1 2 655.840 3.876 3 0 KHAFLO CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127686 562725808 /nfs/dbraw/zinc/72/58/08/562725808.db2.gz WCDSDGWAOQZEHR-BOCHCHAHSA-N 1 2 679.822 3.928 3 0 KHAFLO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C)C(C)C ZINC000072135681 562727531 /nfs/dbraw/zinc/72/75/31/562727531.db2.gz PAWISBCINYCBJV-KVUJLMPWSA-N 1 2 586.177 3.541 3 0 KHAFLO C(=C/c1ccccc1)\C[NH+]1CCN([C@@H](c2cccs2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136014 562727688 /nfs/dbraw/zinc/72/76/88/562727688.db2.gz LRMKKIJSBZZQFU-SVNLLAJMSA-N 1 2 500.628 3.915 3 0 KHAFLO C(=C/c1ccccc1)\C[NH+]1CCN([C@H](c2cccs2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136015 562727702 /nfs/dbraw/zinc/72/77/02/562727702.db2.gz LRMKKIJSBZZQFU-GAAFDJBNSA-N 1 2 500.628 3.915 3 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000072137847 562728472 /nfs/dbraw/zinc/72/84/72/562728472.db2.gz ZTJDXQDTCXDQRU-FHAGJXEFSA-N 1 2 543.711 3.901 3 0 KHAFLO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O ZINC000072137847 562728471 /nfs/dbraw/zinc/72/84/71/562728471.db2.gz ZTJDXQDTCXDQRU-FHAGJXEFSA-N 1 2 543.711 3.901 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1cc3ccccc3o1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137900 562728488 /nfs/dbraw/zinc/72/84/88/562728488.db2.gz BVKRVFHPWYLUNY-HHHXNRCGSA-N 1 2 519.609 3.986 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1cc3ccccc3o1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137901 562728508 /nfs/dbraw/zinc/72/85/08/562728508.db2.gz BVKRVFHPWYLUNY-MHZLTWQESA-N 1 2 519.609 3.986 3 0 KHAFLO COc1cccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072137904 562728477 /nfs/dbraw/zinc/72/84/77/562728477.db2.gz AAZUGNUPKATQLZ-VWLOTQADSA-N 1 2 531.661 3.713 3 0 KHAFLO COc1cccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072137905 562728506 /nfs/dbraw/zinc/72/85/06/562728506.db2.gz AAZUGNUPKATQLZ-RUZDIDTESA-N 1 2 531.661 3.713 3 0 KHAFLO COc1ccc([C@H](c2nnnn2-c2c(C)cccc2C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139341 562728857 /nfs/dbraw/zinc/72/88/57/562728857.db2.gz OQAYFFMODBATKX-HHHXNRCGSA-N 1 2 523.641 3.806 3 0 KHAFLO COc1ccc([C@@H](c2nnnn2-c2c(C)cccc2C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139342 562728875 /nfs/dbraw/zinc/72/88/75/562728875.db2.gz OQAYFFMODBATKX-MHZLTWQESA-N 1 2 523.641 3.806 3 0 KHAFLO COc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140783 562729158 /nfs/dbraw/zinc/72/91/58/562729158.db2.gz RCUNFUFMRPMKPJ-VWLOTQADSA-N 1 2 501.635 3.705 3 0 KHAFLO COc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140784 562729161 /nfs/dbraw/zinc/72/91/61/562729161.db2.gz RCUNFUFMRPMKPJ-RUZDIDTESA-N 1 2 501.635 3.705 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1Cc1ccccc1)c1ccnc3ccccc31)CC2 ZINC000072141238 562729340 /nfs/dbraw/zinc/72/93/40/562729340.db2.gz VMVVJADLWFVCAF-MUUNZHRXSA-N 1 2 530.636 3.788 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1Cc1ccccc1)c1ccnc3ccccc31)CC2 ZINC000072141239 562729331 /nfs/dbraw/zinc/72/93/31/562729331.db2.gz VMVVJADLWFVCAF-NDEPHWFRSA-N 1 2 530.636 3.788 3 0 KHAFLO CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095564624 562764415 /nfs/dbraw/zinc/76/44/15/562764415.db2.gz GLAWOISCOSDEJT-RSOWOKRSSA-N 1 2 560.573 3.654 3 0 KHAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCCn2cc[nH+]c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000095567039 562765453 /nfs/dbraw/zinc/76/54/53/562765453.db2.gz VQOQBNXHURCVOZ-DUSFWOOLSA-N 1 2 576.742 3.851 3 0 KHAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCCn2cc[nH+]c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000095567040 562765465 /nfs/dbraw/zinc/76/54/65/562765465.db2.gz VQOQBNXHURCVOZ-QKVJJFNUSA-N 1 2 576.742 3.851 3 0 KHAFLO COc1ccc(-n2nnnc2[C@@H](c2ccnc3ccccc32)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000095567598 562765920 /nfs/dbraw/zinc/76/59/20/562765920.db2.gz NGEQFPRTGPYXPC-MUUNZHRXSA-N 1 2 546.635 3.737 3 0 KHAFLO COc1ccc(-n2nnnc2[C@H](c2ccnc3ccccc32)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000095567599 562765908 /nfs/dbraw/zinc/76/59/08/562765908.db2.gz NGEQFPRTGPYXPC-NDEPHWFRSA-N 1 2 546.635 3.737 3 0 KHAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(Br)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095569076 562767115 /nfs/dbraw/zinc/76/71/15/562767115.db2.gz LJRCCVDJIPBGAB-IFXFPORBSA-N 1 2 549.535 3.600 3 0 KHAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(Br)c4)n2)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095569077 562767135 /nfs/dbraw/zinc/76/71/35/562767135.db2.gz LJRCCVDJIPBGAB-JTMIDMFHSA-N 1 2 549.535 3.600 3 0 KHAFLO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000095570442 562768241 /nfs/dbraw/zinc/76/82/41/562768241.db2.gz LJPMGNOWBFZVJM-BQYLNSIHSA-N 1 2 735.926 3.905 3 0 KHAFLO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000095570442 562768240 /nfs/dbraw/zinc/76/82/40/562768240.db2.gz LJPMGNOWBFZVJM-BQYLNSIHSA-N 1 2 735.926 3.905 3 0 KHAFLO CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095570649 562768389 /nfs/dbraw/zinc/76/83/89/562768389.db2.gz KLERLCJCJXZNQC-AREMUKBSSA-N 1 2 552.760 3.848 3 0 KHAFLO CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095570650 562768349 /nfs/dbraw/zinc/76/83/49/562768349.db2.gz KLERLCJCJXZNQC-SANMLTNESA-N 1 2 552.760 3.848 3 0 KHAFLO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095570753 562768425 /nfs/dbraw/zinc/76/84/25/562768425.db2.gz CAVMLWOYAYJTFS-ZQWQDMLBSA-N 1 2 743.905 3.568 3 0 KHAFLO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095570753 562768424 /nfs/dbraw/zinc/76/84/24/562768424.db2.gz CAVMLWOYAYJTFS-ZQWQDMLBSA-N 1 2 743.905 3.568 3 0 KHAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCC[NH+](C)C)OCCCC[C@@H](C)O2 ZINC000095570787 562768519 /nfs/dbraw/zinc/76/85/19/562768519.db2.gz VOYATFCMYDWNHO-QXFFIUSXSA-N 1 2 679.881 3.688 3 0 KHAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(Br)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095598896 562777593 /nfs/dbraw/zinc/77/75/93/562777593.db2.gz LJRCCVDJIPBGAB-TXRXYBTHSA-N 1 2 549.535 3.600 3 0 KHAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(Br)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095598897 562777600 /nfs/dbraw/zinc/77/76/00/562777600.db2.gz LJRCCVDJIPBGAB-ZCWHBTPQSA-N 1 2 549.535 3.600 3 0 KHAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095599729 562778296 /nfs/dbraw/zinc/77/82/96/562778296.db2.gz MHXWIEOUZGCBIB-OUDXUNEISA-N 1 2 573.115 3.888 3 0 KHAFLO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095599729 562778295 /nfs/dbraw/zinc/77/82/95/562778295.db2.gz MHXWIEOUZGCBIB-OUDXUNEISA-N 1 2 573.115 3.888 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1C1CCCC1)c1ccnc3ccccc31)CC2 ZINC000095600515 562778951 /nfs/dbraw/zinc/77/89/51/562778951.db2.gz MNKRCVPGAGKNFU-SANMLTNESA-N 1 2 508.630 3.854 3 0 KHAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1C1CCCC1)c1ccnc3ccccc31)CC2 ZINC000095600516 562778987 /nfs/dbraw/zinc/77/89/87/562778987.db2.gz MNKRCVPGAGKNFU-AREMUKBSSA-N 1 2 508.630 3.854 3 0 KHAFLO C[NH+]1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccnc5)c4)n2)[C@@H](CCO)N(C(=O)CC2CC2)C3)CC1 ZINC000095600976 562779408 /nfs/dbraw/zinc/77/94/08/562779408.db2.gz QQJSYFVCSFLXNW-HHHXNRCGSA-N 1 2 525.653 3.764 3 0 KHAFLO CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)[N@@H+](CC2CC2)C[C@@H]1C ZINC000095603031 562780270 /nfs/dbraw/zinc/78/02/70/562780270.db2.gz SVRQSUWWQJYMNK-BATDWUPUSA-N 1 2 523.630 3.884 3 0 KHAFLO CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H](C)[N@H+](CC2CC2)C[C@@H]1C ZINC000095603031 562780269 /nfs/dbraw/zinc/78/02/69/562780269.db2.gz SVRQSUWWQJYMNK-BATDWUPUSA-N 1 2 523.630 3.884 3 0 KHAFLO