smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(Cn2c3c(nc2N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000001264413 551634000 /nfs/dbraw/zinc/63/40/00/551634000.db2.gz SBYPIZBMYTZODW-UHFFFAOYSA-N 1 0 534.664 3.702 50 0 KHAARO Cc1cc(Br)c(OC[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000001839055 551713336 /nfs/dbraw/zinc/71/33/36/551713336.db2.gz KEIZTNGUQYYXTI-ARFHVFGLSA-N 1 0 512.242 3.541 50 0 KHAARO Cc1cc(Br)c(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000001839056 551713314 /nfs/dbraw/zinc/71/33/14/551713314.db2.gz KEIZTNGUQYYXTI-XHSDSOJGSA-N 1 0 512.242 3.541 50 0 KHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000002100833 551762240 /nfs/dbraw/zinc/76/22/40/551762240.db2.gz SCYJULKYDWYJQC-UHFFFAOYSA-N 1 0 502.365 3.731 50 0 biogenic KHAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000002192610 551790914 /nfs/dbraw/zinc/79/09/14/551790914.db2.gz NARPJTZOCATBAH-YADSSGSTSA-N 1 0 589.696 3.594 50 0 KHAARO CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000002630528 552139693 /nfs/dbraw/zinc/13/96/93/552139693.db2.gz RZQNEFVUYNZXRF-UHFFFAOYSA-N 1 0 549.715 3.666 50 0 KHAARO COc1cc(C[NH2+]CCCO)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002884789 552209038 /nfs/dbraw/zinc/20/90/38/552209038.db2.gz INUJWTSFDMRQRA-UHFFFAOYSA-N 1 0 538.304 3.808 50 0 KHAARO CC[NH+](CC)CCCNC(=O)c1sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c2c1C ZINC000002925800 552223689 /nfs/dbraw/zinc/22/36/89/552223689.db2.gz HXOSBDHZOOGLNZ-UHFFFAOYSA-N 1 0 504.056 3.829 50 0 KHAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NCc3ccc4c(c3)OCO4)CC23CCCCC3)cc1 ZINC000002953385 552229967 /nfs/dbraw/zinc/22/99/67/552229967.db2.gz JQXVTEXZYWETLQ-UHFFFAOYSA-N 1 0 508.688 3.735 50 0 KHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003357768 552369546 /nfs/dbraw/zinc/36/95/46/552369546.db2.gz GNIRJDOKLRDDOJ-UHFFFAOYSA-N 1 0 504.656 3.746 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003393504 552379588 /nfs/dbraw/zinc/37/95/88/552379588.db2.gz REYZGSSMQXUIEY-UHFFFAOYSA-N 1 0 520.655 3.762 50 0 KHAARO CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003619944 552393223 /nfs/dbraw/zinc/39/32/23/552393223.db2.gz INOXBRXGEPZJCS-XMMPIXPASA-N 1 0 517.424 3.647 50 0 KHAARO CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003619947 552393179 /nfs/dbraw/zinc/39/31/79/552393179.db2.gz INOXBRXGEPZJCS-DEOSSOPVSA-N 1 0 517.424 3.647 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003619951 552393234 /nfs/dbraw/zinc/39/32/34/552393234.db2.gz YKDKERACBMSMNR-XMMPIXPASA-N 1 0 501.425 3.811 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000003619954 552393230 /nfs/dbraw/zinc/39/32/30/552393230.db2.gz YKDKERACBMSMNR-DEOSSOPVSA-N 1 0 501.425 3.811 50 0 KHAARO O=C(NCCC[NH+]1CCCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003619955 552393225 /nfs/dbraw/zinc/39/32/25/552393225.db2.gz ZFYLLWXFPSLOKJ-JOCHJYFZSA-N 1 0 509.351 3.527 50 0 KHAARO O=C(NCCC[NH+]1CCCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003619957 552393142 /nfs/dbraw/zinc/39/31/42/552393142.db2.gz ZFYLLWXFPSLOKJ-QFIPXVFZSA-N 1 0 509.351 3.527 50 0 KHAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000003619959 552393206 /nfs/dbraw/zinc/39/32/06/552393206.db2.gz JVRFMURGYZWPLE-XMMPIXPASA-N 1 0 501.425 3.865 50 0 KHAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000003619960 552393139 /nfs/dbraw/zinc/39/31/39/552393139.db2.gz JVRFMURGYZWPLE-DEOSSOPVSA-N 1 0 501.425 3.865 50 0 KHAARO O=C(NCCC[NH+]1CCCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619961 552393182 /nfs/dbraw/zinc/39/31/82/552393182.db2.gz LCTCHKSDXKWKMA-JOCHJYFZSA-N 1 0 507.816 3.902 50 0 KHAARO O=C(NCCC[NH+]1CCCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003619964 552393227 /nfs/dbraw/zinc/39/32/27/552393227.db2.gz LCTCHKSDXKWKMA-QFIPXVFZSA-N 1 0 507.816 3.902 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1 ZINC000003619968 552393205 /nfs/dbraw/zinc/39/32/05/552393205.db2.gz JCODVJIGBIIZBE-DEOSSOPVSA-N 1 0 519.440 3.893 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1 ZINC000003619970 552393256 /nfs/dbraw/zinc/39/32/56/552393256.db2.gz JCODVJIGBIIZBE-XMMPIXPASA-N 1 0 519.440 3.893 50 0 KHAARO CC[NH+](CC)CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(OC)cc1OC ZINC000003670426 552411217 /nfs/dbraw/zinc/41/12/17/552411217.db2.gz HFQGNVYSDBPELT-DEOSSOPVSA-N 1 0 535.439 3.512 50 0 KHAARO CC[NH+](CC)CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(OC)cc1OC ZINC000003670427 552411196 /nfs/dbraw/zinc/41/11/96/552411196.db2.gz HFQGNVYSDBPELT-XMMPIXPASA-N 1 0 535.439 3.512 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000003670517 552411650 /nfs/dbraw/zinc/41/16/50/552411650.db2.gz MVWXXPQFHLFEEK-CYFREDJKSA-N 1 0 501.425 3.809 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670519 552411698 /nfs/dbraw/zinc/41/16/98/552411698.db2.gz VJPKZSNKKBQLCA-DVECYGJZSA-N 1 0 501.425 3.864 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670520 552411662 /nfs/dbraw/zinc/41/16/62/552411662.db2.gz SSMVSHYGRCXYNC-VGOFRKELSA-N 1 0 507.816 3.900 50 0 KHAARO COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000003670610 552411686 /nfs/dbraw/zinc/41/16/86/552411686.db2.gz XDYVPVKRRNLSKD-XMMPIXPASA-N 1 0 517.424 3.647 50 0 KHAARO COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000003670611 552411713 /nfs/dbraw/zinc/41/17/13/552411713.db2.gz XDYVPVKRRNLSKD-DEOSSOPVSA-N 1 0 517.424 3.647 50 0 KHAARO O=C(NCCC[NH+]1CCCCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670612 552411711 /nfs/dbraw/zinc/41/17/11/552411711.db2.gz KPSANVSNROVUGN-HSZRJFAPSA-N 1 0 523.378 3.917 50 0 KHAARO O=C(NCCC[NH+]1CCCCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670613 552411683 /nfs/dbraw/zinc/41/16/83/552411683.db2.gz KPSANVSNROVUGN-QHCPKHFHSA-N 1 0 523.378 3.917 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000003670614 552411659 /nfs/dbraw/zinc/41/16/59/552411659.db2.gz BXVGXLJPPQBQFJ-RUZDIDTESA-N 1 0 547.450 3.656 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000003670615 552411679 /nfs/dbraw/zinc/41/16/79/552411679.db2.gz BXVGXLJPPQBQFJ-VWLOTQADSA-N 1 0 547.450 3.656 50 0 KHAARO NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCC[NH+]1CCCC1 ZINC000003834191 552419647 /nfs/dbraw/zinc/41/96/47/552419647.db2.gz HXHAJRMTJXHJJZ-UHFFFAOYSA-N 1 0 532.411 3.859 50 0 investigational KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004176869 552444752 /nfs/dbraw/zinc/44/47/52/552444752.db2.gz RSJNFSKOGPZUPK-RUZDIDTESA-N 1 0 569.703 3.533 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004176871 552444702 /nfs/dbraw/zinc/44/47/02/552444702.db2.gz RSJNFSKOGPZUPK-VWLOTQADSA-N 1 0 569.703 3.533 50 0 KHAARO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177759 552445395 /nfs/dbraw/zinc/44/53/95/552445395.db2.gz SNBIIARGJJFOFJ-UHFFFAOYSA-N 1 0 506.694 3.679 50 0 KHAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177826 552445605 /nfs/dbraw/zinc/44/56/05/552445605.db2.gz GQGOMFXGTIXOJY-OAHLLOKOSA-N 1 0 518.705 3.822 50 0 KHAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177827 552445641 /nfs/dbraw/zinc/44/56/41/552445641.db2.gz GQGOMFXGTIXOJY-HNNXBMFYSA-N 1 0 518.705 3.822 50 0 KHAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)C1 ZINC000004177834 552445899 /nfs/dbraw/zinc/44/58/99/552445899.db2.gz SVOKRVMVKMTHFU-OAHLLOKOSA-N 1 0 518.705 3.679 50 0 KHAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)C1 ZINC000004177835 552445912 /nfs/dbraw/zinc/44/59/12/552445912.db2.gz SVOKRVMVKMTHFU-HNNXBMFYSA-N 1 0 518.705 3.679 50 0 KHAARO CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)CC1 ZINC000004177852 552445921 /nfs/dbraw/zinc/44/59/21/552445921.db2.gz SPWIVAGBOPEXBQ-UHFFFAOYSA-N 1 0 518.705 3.679 50 0 KHAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)C1 ZINC000004177853 552445927 /nfs/dbraw/zinc/44/59/27/552445927.db2.gz PRPOPVDDYMLPIZ-IYBDPMFKSA-N 1 0 532.732 3.925 50 0 KHAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)C1 ZINC000004177854 552445877 /nfs/dbraw/zinc/44/58/77/552445877.db2.gz PRPOPVDDYMLPIZ-HOTGVXAUSA-N 1 0 532.732 3.925 50 0 KHAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)[NH2+]C4(C)C)cc2)C1 ZINC000004177855 552445925 /nfs/dbraw/zinc/44/59/25/552445925.db2.gz PRPOPVDDYMLPIZ-HZPDHXFCSA-N 1 0 532.732 3.925 50 0 KHAARO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C(C)C)cc2ccccc21 ZINC000004534137 552463889 /nfs/dbraw/zinc/46/38/89/552463889.db2.gz QBKHTBZTARAYHC-PZWMIYICSA-N 1 0 679.822 3.717 50 0 KHAARO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)C(C)C)cc2ccccc21 ZINC000004534138 552463882 /nfs/dbraw/zinc/46/38/82/552463882.db2.gz QBKHTBZTARAYHC-RKKDRKJOSA-N 1 0 679.822 3.717 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733875 552474110 /nfs/dbraw/zinc/47/41/10/552474110.db2.gz IKEKDHSMFISOGH-FQLXRVMXSA-N 1 0 578.113 3.991 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733890 552474118 /nfs/dbraw/zinc/47/41/18/552474118.db2.gz IKEKDHSMFISOGH-WDYNHAJCSA-N 1 0 578.113 3.991 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733900 552474101 /nfs/dbraw/zinc/47/41/01/552474101.db2.gz IKEKDHSMFISOGH-URLMMPGGSA-N 1 0 578.113 3.991 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733913 552474161 /nfs/dbraw/zinc/47/41/61/552474161.db2.gz IKEKDHSMFISOGH-VMPREFPWSA-N 1 0 578.113 3.991 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761839 552477991 /nfs/dbraw/zinc/47/79/91/552477991.db2.gz WPXYAXYTXZSKCR-AREMUKBSSA-N 1 0 555.720 3.973 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761844 552477962 /nfs/dbraw/zinc/47/79/62/552477962.db2.gz WPXYAXYTXZSKCR-SANMLTNESA-N 1 0 555.720 3.973 50 0 KHAARO CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=S ZINC000004762196 552479067 /nfs/dbraw/zinc/47/90/67/552479067.db2.gz WFPKBIJIELDAAY-QHCPKHFHSA-N 1 0 532.085 3.838 50 0 KHAARO CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1=S ZINC000004762200 552479043 /nfs/dbraw/zinc/47/90/43/552479043.db2.gz WFPKBIJIELDAAY-HSZRJFAPSA-N 1 0 532.085 3.838 50 0 KHAARO CCn1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000004763098 552479428 /nfs/dbraw/zinc/47/94/28/552479428.db2.gz JZBWDRNMJPRDNZ-UHFFFAOYSA-N 1 0 513.038 3.634 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004763376 552479433 /nfs/dbraw/zinc/47/94/33/552479433.db2.gz XRTVMRALEKBSOD-UHFFFAOYSA-N 1 0 544.121 3.540 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004766494 552480574 /nfs/dbraw/zinc/48/05/74/552480574.db2.gz IACRRZWIUHFZLJ-UHFFFAOYSA-N 1 0 546.071 3.528 50 0 KHAARO CC(=O)c1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)CC2)cc1 ZINC000004787416 552482394 /nfs/dbraw/zinc/48/23/94/552482394.db2.gz OZRVQVIVVBNEMM-UHFFFAOYSA-N 1 0 542.684 3.565 50 0 KHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)N4CCN(c5ccccc5OC)CC4)ccc3n2)CC1 ZINC000004787418 552482449 /nfs/dbraw/zinc/48/24/49/552482449.db2.gz AEBYDAOGBOMRMX-UHFFFAOYSA-N 1 0 544.700 3.761 50 0 KHAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790699 552483847 /nfs/dbraw/zinc/48/38/47/552483847.db2.gz VKWJIKWERXKIMV-FQLXRVMXSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790702 552483916 /nfs/dbraw/zinc/48/39/16/552483916.db2.gz VKWJIKWERXKIMV-URLMMPGGSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790704 552483936 /nfs/dbraw/zinc/48/39/36/552483936.db2.gz VKWJIKWERXKIMV-WDYNHAJCSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790706 552483932 /nfs/dbraw/zinc/48/39/32/552483932.db2.gz VKWJIKWERXKIMV-VMPREFPWSA-N 1 0 526.637 3.931 50 0 KHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791812 552484604 /nfs/dbraw/zinc/48/46/04/552484604.db2.gz NRLKWEWWXCYTAJ-UHFFFAOYSA-N 1 0 510.638 3.617 50 0 KHAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCOCC1 ZINC000006445378 552587648 /nfs/dbraw/zinc/58/76/48/552587648.db2.gz WYYBVBVFSVTMGP-OAHLLOKOSA-N 1 0 562.189 3.697 50 0 KHAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCOCC1 ZINC000006445380 552587675 /nfs/dbraw/zinc/58/76/75/552587675.db2.gz WYYBVBVFSVTMGP-HNNXBMFYSA-N 1 0 562.189 3.697 50 0 KHAARO Cc1c(NC(=O)OC[C@@H]2COCC[NH2+]2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000006717782 552972377 /nfs/dbraw/zinc/97/23/77/552972377.db2.gz LUJZZYWHBDHDQX-QFIPXVFZSA-N 1 0 530.564 3.855 50 0 investigational KHAARO COc1ccc(COC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000008431491 553023259 /nfs/dbraw/zinc/02/32/59/553023259.db2.gz WXIVAIPFVFMLTF-HSZRJFAPSA-N 1 0 518.610 3.743 50 0 KHAARO COc1ccc(COC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000008431493 553023206 /nfs/dbraw/zinc/02/32/06/553023206.db2.gz WXIVAIPFVFMLTF-QHCPKHFHSA-N 1 0 518.610 3.743 50 0 KHAARO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431495 553023232 /nfs/dbraw/zinc/02/32/32/553023232.db2.gz ZEDMVKJKXPZXNI-OAQYLSRUSA-N 1 0 504.583 3.605 50 0 KHAARO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431498 553023309 /nfs/dbraw/zinc/02/33/09/553023309.db2.gz ZEDMVKJKXPZXNI-NRFANRHFSA-N 1 0 504.583 3.605 50 0 KHAARO CSCC[C@@H]1[NH2+][C@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000008439518 553035702 /nfs/dbraw/zinc/03/57/02/553035702.db2.gz OQKYSKQSCSKLKF-GFGYWFAOSA-N 1 0 568.699 3.702 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]43)C2=O)cc1 ZINC000008439644 553035894 /nfs/dbraw/zinc/03/58/94/553035894.db2.gz RHPXSPCRSBATBH-YCYTWPSCSA-N 1 0 536.632 3.999 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@]3([NH2+][C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]43)C2=O)cc1 ZINC000008439646 553035948 /nfs/dbraw/zinc/03/59/48/553035948.db2.gz RHPXSPCRSBATBH-GFGYWFAOSA-N 1 0 536.632 3.999 50 0 KHAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008583103 553078608 /nfs/dbraw/zinc/07/86/08/553078608.db2.gz IQYRFQMFJGRSSM-UHFFFAOYSA-N 1 0 581.757 3.620 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583212 553079058 /nfs/dbraw/zinc/07/90/58/553079058.db2.gz DJGNZCNFWPIXGT-QHCPKHFHSA-N 1 0 565.534 3.649 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583213 553079075 /nfs/dbraw/zinc/07/90/75/553079075.db2.gz DJGNZCNFWPIXGT-HSZRJFAPSA-N 1 0 565.534 3.649 50 0 KHAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)CC(C)C ZINC000008583289 553079095 /nfs/dbraw/zinc/07/90/95/553079095.db2.gz OOYNFJQUFQOBEO-UHFFFAOYSA-N 1 0 518.724 3.827 50 0 KHAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008583360 553079330 /nfs/dbraw/zinc/07/93/30/553079330.db2.gz LVMXFTLDDSHSDF-UHFFFAOYSA-N 1 0 504.697 3.725 50 0 KHAARO CCn1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596777 553091215 /nfs/dbraw/zinc/09/12/15/553091215.db2.gz MOUHAUZOGIKTAE-UHFFFAOYSA-N 1 0 530.735 3.826 50 0 KHAARO CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596794 553091201 /nfs/dbraw/zinc/09/12/01/553091201.db2.gz WGVCDEKJZCFFLS-NRFANRHFSA-N 1 0 530.735 3.826 50 0 KHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596964 553091574 /nfs/dbraw/zinc/09/15/74/553091574.db2.gz NSSBWUSQEIVHGA-OAQYLSRUSA-N 1 0 530.735 3.876 50 0 KHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596967 553091648 /nfs/dbraw/zinc/09/16/48/553091648.db2.gz NSSBWUSQEIVHGA-NRFANRHFSA-N 1 0 530.735 3.876 50 0 KHAARO CCCC[N@H+](CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596971 553091605 /nfs/dbraw/zinc/09/16/05/553091605.db2.gz MJEUGUMJAFATSK-UHFFFAOYSA-N 1 0 518.724 3.734 50 0 KHAARO CCCC[N@H+](C)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000008597088 553091926 /nfs/dbraw/zinc/09/19/26/553091926.db2.gz GTCJJGQHMDKDLG-UHFFFAOYSA-N 1 0 538.714 3.620 50 0 KHAARO COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(Nc3ccc(OC[C@@H](O)C[NH2+]C(C)C)cc3)c2cc1OC ZINC000008663490 553108897 /nfs/dbraw/zinc/10/88/97/553108897.db2.gz JUXSJTMBZRPGAJ-QFIPXVFZSA-N 1 0 590.681 3.684 50 0 KHAARO COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(Nc3ccc(OC[C@H](O)C[NH2+]C(C)C)cc3)c2cc1OC ZINC000008663491 553108950 /nfs/dbraw/zinc/10/89/50/553108950.db2.gz JUXSJTMBZRPGAJ-JOCHJYFZSA-N 1 0 590.681 3.684 50 0 KHAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccccc2)C(=O)CN2C[C@H](c3ccccc3)NC2=S)CC1 ZINC000008695936 553124456 /nfs/dbraw/zinc/12/44/56/553124456.db2.gz QSIANUOVRVWWLA-WJOKGBTCSA-N 1 0 626.827 3.886 50 0 KHAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccccc2)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)CC1 ZINC000008695937 553124508 /nfs/dbraw/zinc/12/45/08/553124508.db2.gz QSIANUOVRVWWLA-HKBQPEDESA-N 1 0 626.827 3.886 50 0 KHAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000008748386 553134453 /nfs/dbraw/zinc/13/44/53/553134453.db2.gz IZJNLEYHYKIYNV-AREMUKBSSA-N 1 0 591.734 3.660 50 0 KHAARO COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000008748391 553134514 /nfs/dbraw/zinc/13/45/14/553134514.db2.gz IZJNLEYHYKIYNV-SANMLTNESA-N 1 0 591.734 3.660 50 0 KHAARO CCOC(=O)c1c(C)nc(-c2sc3nc(-c4ccccc4)nc(N4CC[NH+](C)CC4)c3c2C)nc1N ZINC000008751214 553135420 /nfs/dbraw/zinc/13/54/20/553135420.db2.gz GLHYTGBHDOXNIW-UHFFFAOYSA-N 1 0 503.632 3.943 50 0 KHAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21)CC(C)C ZINC000008811258 553149084 /nfs/dbraw/zinc/14/90/84/553149084.db2.gz GMRHFBCCTULVFK-OAQYLSRUSA-N 1 0 518.724 3.683 50 0 KHAARO COc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000008812783 553150045 /nfs/dbraw/zinc/15/00/45/553150045.db2.gz CEVACYDJGHDZPG-AREMUKBSSA-N 1 0 507.675 3.556 50 0 KHAARO COc1ccc(CCN2C[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000008812789 553150061 /nfs/dbraw/zinc/15/00/61/553150061.db2.gz CEVACYDJGHDZPG-SANMLTNESA-N 1 0 507.675 3.556 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008813201 553150593 /nfs/dbraw/zinc/15/05/93/553150593.db2.gz RWVPLYOLUJLSGI-UHFFFAOYSA-N 1 0 509.676 3.789 50 0 KHAARO O=C(NCC[NH+]1CCCC1)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008813233 553150870 /nfs/dbraw/zinc/15/08/70/553150870.db2.gz VMBKVEXEJDCASV-UHFFFAOYSA-N 1 0 507.660 3.687 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008813325 553150842 /nfs/dbraw/zinc/15/08/42/553150842.db2.gz UOZDSCJSEZAGQD-UHFFFAOYSA-N 1 0 509.676 3.789 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000008813565 553151162 /nfs/dbraw/zinc/15/11/62/553151162.db2.gz NILQCDMVUMHQKM-UHFFFAOYSA-N 1 0 533.138 3.753 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000008813585 553151185 /nfs/dbraw/zinc/15/11/85/553151185.db2.gz RSOAIEKDBAOGQX-UHFFFAOYSA-N 1 0 506.713 3.501 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+](CC(C)C)CC(C)C)CC2)cc1 ZINC000008813614 553151036 /nfs/dbraw/zinc/15/10/36/553151036.db2.gz VDNLFUGQWOSMDV-UHFFFAOYSA-N 1 0 522.756 3.850 50 0 KHAARO CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCC[NH+]4CCCC4)c3c2)CC1 ZINC000008814181 553151333 /nfs/dbraw/zinc/15/13/33/553151333.db2.gz ZTOAPHRIGUSRCP-UHFFFAOYSA-N 1 0 507.660 3.543 50 0 KHAARO O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008814266 553151348 /nfs/dbraw/zinc/15/13/48/553151348.db2.gz ZYJSSNJBQQFVHN-UHFFFAOYSA-N 1 0 504.462 3.560 50 0 KHAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C(C)(C)[NH2+]1 ZINC000008881872 553176076 /nfs/dbraw/zinc/17/60/76/553176076.db2.gz HGYQEHGREKXUMA-UHFFFAOYSA-N 1 0 518.705 3.823 50 0 KHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 ZINC000009211052 553221062 /nfs/dbraw/zinc/22/10/62/553221062.db2.gz OMZPWSNQXVGRBL-JOCHJYFZSA-N 1 0 533.677 3.906 50 0 KHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 ZINC000009211053 553221152 /nfs/dbraw/zinc/22/11/52/553221152.db2.gz OMZPWSNQXVGRBL-QFIPXVFZSA-N 1 0 533.677 3.906 50 0 KHAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211114 553221171 /nfs/dbraw/zinc/22/11/71/553221171.db2.gz XIIJPUBSOXHNAP-OAQYLSRUSA-N 1 0 505.667 3.923 50 0 KHAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211115 553221181 /nfs/dbraw/zinc/22/11/81/553221181.db2.gz XIIJPUBSOXHNAP-NRFANRHFSA-N 1 0 505.667 3.923 50 0 KHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000009211142 553221111 /nfs/dbraw/zinc/22/11/11/553221111.db2.gz CILHQSKOHBAUFX-DNQXCXABSA-N 1 0 501.679 3.716 50 0 KHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000009211143 553221189 /nfs/dbraw/zinc/22/11/89/553221189.db2.gz CILHQSKOHBAUFX-BJKOFHAPSA-N 1 0 501.679 3.716 50 0 KHAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211146 553221055 /nfs/dbraw/zinc/22/10/55/553221055.db2.gz DEXMERXBSHOVDT-HSZRJFAPSA-N 1 0 519.669 3.937 50 0 KHAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211147 553221204 /nfs/dbraw/zinc/22/12/04/553221204.db2.gz DEXMERXBSHOVDT-QHCPKHFHSA-N 1 0 519.669 3.937 50 0 KHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211154 553221334 /nfs/dbraw/zinc/22/13/34/553221334.db2.gz JQOXNHWPRIHPFJ-HSZRJFAPSA-N 1 0 519.669 3.937 50 0 KHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211155 553221320 /nfs/dbraw/zinc/22/13/20/553221320.db2.gz JQOXNHWPRIHPFJ-QHCPKHFHSA-N 1 0 519.669 3.937 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000009228465 553223215 /nfs/dbraw/zinc/22/32/15/553223215.db2.gz NKZHOUJDPXEIER-UHFFFAOYSA-N 1 0 514.099 3.527 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000009228468 553223237 /nfs/dbraw/zinc/22/32/37/553223237.db2.gz CGJOEKBCMUPKCX-FQEVSTJZSA-N 1 0 514.099 3.527 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000009228469 553223314 /nfs/dbraw/zinc/22/33/14/553223314.db2.gz CGJOEKBCMUPKCX-HXUWFJFHSA-N 1 0 514.099 3.527 50 0 KHAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CCc2cc(OC)no2)CC1 ZINC000009251275 553227770 /nfs/dbraw/zinc/22/77/70/553227770.db2.gz FSMFLWJTHUZWQZ-UHFFFAOYSA-N 1 0 512.607 3.964 50 0 KHAARO COc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c(OC)c1 ZINC000009265755 553229854 /nfs/dbraw/zinc/22/98/54/553229854.db2.gz ZKLGFSGMWCMACE-UHFFFAOYSA-N 1 0 504.660 3.958 50 0 KHAARO COc1ccc(OC)c(C[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000009265756 553229833 /nfs/dbraw/zinc/22/98/33/553229833.db2.gz GLXYDAUDOULDLV-UHFFFAOYSA-N 1 0 504.660 3.958 50 0 KHAARO CN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)no1)C1CCCCC1 ZINC000009274656 553232472 /nfs/dbraw/zinc/23/24/72/553232472.db2.gz AXSRCNYNEMUTRI-UHFFFAOYSA-N 1 0 536.721 3.737 50 0 KHAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391493 553254110 /nfs/dbraw/zinc/25/41/10/553254110.db2.gz UCRJTJVKXJJJEI-UHFFFAOYSA-N 1 0 507.678 3.977 50 0 KHAARO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009391498 553254393 /nfs/dbraw/zinc/25/43/93/553254393.db2.gz KWQNVAVBUZBBNL-UHFFFAOYSA-N 1 0 505.662 3.731 50 0 KHAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1 ZINC000009407241 553256973 /nfs/dbraw/zinc/25/69/73/553256973.db2.gz HYNCTEILXFAMBR-UHFFFAOYSA-N 1 0 526.637 3.950 50 0 KHAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3nnc4ccc(N5CCC(C)CC5)nn43)CC2)c1 ZINC000009430955 553260979 /nfs/dbraw/zinc/26/09/79/553260979.db2.gz GMEGTTRXEJVBKM-UHFFFAOYSA-N 1 0 503.695 3.938 50 0 KHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000009461351 553267583 /nfs/dbraw/zinc/26/75/83/553267583.db2.gz NWXTYJJICLPGDN-UHFFFAOYSA-N 1 0 510.591 3.521 50 0 KHAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529986 553277485 /nfs/dbraw/zinc/27/74/85/553277485.db2.gz FVRNZDWBEPEVJR-PKTZIBPZSA-N 1 0 516.689 3.525 50 0 KHAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529987 553277509 /nfs/dbraw/zinc/27/75/09/553277509.db2.gz FVRNZDWBEPEVJR-GOTSBHOMSA-N 1 0 516.689 3.525 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559429 553279706 /nfs/dbraw/zinc/27/97/06/553279706.db2.gz IXHFEAZTNZBCAK-UHFFFAOYSA-N 1 0 526.522 3.692 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559498 553279716 /nfs/dbraw/zinc/27/97/16/553279716.db2.gz FDYGBYHORIRFSC-GOSISDBHSA-N 1 0 526.522 3.692 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000009559499 553279773 /nfs/dbraw/zinc/27/97/73/553279773.db2.gz FDYGBYHORIRFSC-SFHVURJKSA-N 1 0 526.522 3.692 50 0 KHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000009603809 553287164 /nfs/dbraw/zinc/28/71/64/553287164.db2.gz RMHKMYBFADTCPH-KDURUIRLSA-N 1 0 516.689 3.611 50 0 KHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000009603812 553287190 /nfs/dbraw/zinc/28/71/90/553287190.db2.gz RMHKMYBFADTCPH-OALUTQOASA-N 1 0 516.689 3.611 50 0 KHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)sc2c1 ZINC000009603821 553287244 /nfs/dbraw/zinc/28/72/44/553287244.db2.gz HFDMJMMLJIPFOF-FQEVSTJZSA-N 1 0 516.689 3.613 50 0 KHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc21 ZINC000009603927 553287241 /nfs/dbraw/zinc/28/72/41/553287241.db2.gz PJSJQOVKUANPEK-RTBURBONSA-N 1 0 516.689 3.611 50 0 KHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000009603932 553287194 /nfs/dbraw/zinc/28/71/94/553287194.db2.gz PJSJQOVKUANPEK-OALUTQOASA-N 1 0 516.689 3.611 50 0 KHAARO COc1cc(Cc2nnc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)o2)cc(OC)c1OC ZINC000009605035 553287352 /nfs/dbraw/zinc/28/73/52/553287352.db2.gz VSHOISXKOCVVGI-UHFFFAOYSA-N 1 0 508.619 3.761 50 0 KHAARO C[N@H+](CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)C1CCCCC1 ZINC000009608330 553287524 /nfs/dbraw/zinc/28/75/24/553287524.db2.gz GGQQSCOYDNNHSX-UHFFFAOYSA-N 1 0 507.726 3.547 50 0 KHAARO CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000009610334 553288450 /nfs/dbraw/zinc/28/84/50/553288450.db2.gz AGXGGMDJJMPGFC-NRFANRHFSA-N 1 0 505.663 3.813 50 0 KHAARO CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000009610335 553288478 /nfs/dbraw/zinc/28/84/78/553288478.db2.gz AGXGGMDJJMPGFC-OAQYLSRUSA-N 1 0 505.663 3.813 50 0 KHAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)CC1 ZINC000009611099 553288815 /nfs/dbraw/zinc/28/88/15/553288815.db2.gz AIJOYOOXMRXRHG-UHFFFAOYSA-N 1 0 506.050 3.934 50 0 KHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3nnc4n3c3ccsc3c(=O)n4CC(C)C)cc2)CC1 ZINC000009673585 553294326 /nfs/dbraw/zinc/29/43/26/553294326.db2.gz FLDWWRSHVRUBBY-UHFFFAOYSA-N 1 0 521.691 3.865 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009677827 553295388 /nfs/dbraw/zinc/29/53/88/553295388.db2.gz DYJFLOVOWVZSQK-UHFFFAOYSA-N 1 0 519.646 3.869 50 0 KHAARO COc1ccc(-n2nc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681806 553296967 /nfs/dbraw/zinc/29/69/67/553296967.db2.gz HZHKQSJYIUQJMJ-BGYRXZFFSA-N 1 0 501.631 3.984 50 0 KHAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681807 553296978 /nfs/dbraw/zinc/29/69/78/553296978.db2.gz HZHKQSJYIUQJMJ-PMACEKPBSA-N 1 0 501.631 3.984 50 0 KHAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681808 553296945 /nfs/dbraw/zinc/29/69/45/553296945.db2.gz HZHKQSJYIUQJMJ-WOJBJXKFSA-N 1 0 501.631 3.984 50 0 KHAARO COc1ccc(-n2nc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681924 553297164 /nfs/dbraw/zinc/29/71/64/553297164.db2.gz WFHHZOHFZNJRRA-UHFFFAOYSA-N 1 0 507.594 3.674 50 0 KHAARO COc1ccc(-n2nc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681938 553297201 /nfs/dbraw/zinc/29/72/01/553297201.db2.gz GHCVBMZHQBVDDX-UHFFFAOYSA-N 1 0 522.609 3.890 50 0 KHAARO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000009722634 553301126 /nfs/dbraw/zinc/30/11/26/553301126.db2.gz IXYMTARGRYZLSM-SGQUHAKNSA-N 1 0 520.721 3.854 50 0 KHAARO CCC[NH+](CCC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000009725067 553301507 /nfs/dbraw/zinc/30/15/07/553301507.db2.gz PFHHAWRUJHLZPE-UHFFFAOYSA-N 1 0 518.724 3.734 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1 ZINC000009725080 553301495 /nfs/dbraw/zinc/30/14/95/553301495.db2.gz OHBUKGBEOZCVEK-OYRHEFFESA-N 1 0 530.735 3.590 50 0 KHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1 ZINC000009725087 553301551 /nfs/dbraw/zinc/30/15/51/553301551.db2.gz OHBUKGBEOZCVEK-SFTDATJTSA-N 1 0 530.735 3.590 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1 ZINC000009725092 553301509 /nfs/dbraw/zinc/30/15/09/553301509.db2.gz OHBUKGBEOZCVEK-NHCUHLMSSA-N 1 0 530.735 3.590 50 0 KHAARO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[N@H+](C)C1CCCCC1)cn2C ZINC000009725111 553301538 /nfs/dbraw/zinc/30/15/38/553301538.db2.gz RZDWHBPPONUSPB-UHFFFAOYSA-N 1 0 530.735 3.876 50 0 KHAARO CC(C)C[NH+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O)CC(C)C ZINC000009725119 553301503 /nfs/dbraw/zinc/30/15/03/553301503.db2.gz VYSXLFFVRNSRKC-UHFFFAOYSA-N 1 0 532.751 3.836 50 0 KHAARO CCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000009726364 553301969 /nfs/dbraw/zinc/30/19/69/553301969.db2.gz ONIDPEOJRPIHOE-UHFFFAOYSA-N 1 0 530.735 3.971 50 0 KHAARO CCn1cc(C(=O)NCC[NH+]2CCCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000009726377 553301933 /nfs/dbraw/zinc/30/19/33/553301933.db2.gz GMCDFPWZCBEQBY-UHFFFAOYSA-N 1 0 516.708 3.580 50 0 KHAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)nc(C)n3n2)cc1 ZINC000009727770 553302132 /nfs/dbraw/zinc/30/21/32/553302132.db2.gz YVJPUTOYKFFBKT-UHFFFAOYSA-N 1 0 526.685 3.890 50 0 KHAARO CC[NH+](CC)CCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000009776300 553305399 /nfs/dbraw/zinc/30/53/99/553305399.db2.gz BQVZAYCTHLVDTO-FQLXRVMXSA-N 1 0 534.701 3.883 50 0 KHAARO CC[NH+](CC)CCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000009776301 553305495 /nfs/dbraw/zinc/30/54/95/553305495.db2.gz BQVZAYCTHLVDTO-URLMMPGGSA-N 1 0 534.701 3.883 50 0 KHAARO CC[NH+](CC)CCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000009776302 553305520 /nfs/dbraw/zinc/30/55/20/553305520.db2.gz BQVZAYCTHLVDTO-WDYNHAJCSA-N 1 0 534.701 3.883 50 0 KHAARO CC[NH+](CC)CCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000009776303 553305549 /nfs/dbraw/zinc/30/55/49/553305549.db2.gz BQVZAYCTHLVDTO-VMPREFPWSA-N 1 0 534.701 3.883 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009776894 553306284 /nfs/dbraw/zinc/30/62/84/553306284.db2.gz XKEHWJACUGPVPT-WDYNHAJCSA-N 1 0 512.629 3.991 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009776895 553306225 /nfs/dbraw/zinc/30/62/25/553306225.db2.gz XKEHWJACUGPVPT-FQLXRVMXSA-N 1 0 512.629 3.991 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009776896 553306305 /nfs/dbraw/zinc/30/63/05/553306305.db2.gz XKEHWJACUGPVPT-VMPREFPWSA-N 1 0 512.629 3.991 50 0 KHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009776898 553306312 /nfs/dbraw/zinc/30/63/12/553306312.db2.gz XKEHWJACUGPVPT-URLMMPGGSA-N 1 0 512.629 3.991 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776943 553306450 /nfs/dbraw/zinc/30/64/50/553306450.db2.gz RYYZAEGIGAMAKY-FQLXRVMXSA-N 1 0 511.622 3.715 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776944 553306527 /nfs/dbraw/zinc/30/65/27/553306527.db2.gz RYYZAEGIGAMAKY-WDYNHAJCSA-N 1 0 511.622 3.715 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776945 553306503 /nfs/dbraw/zinc/30/65/03/553306503.db2.gz RYYZAEGIGAMAKY-URLMMPGGSA-N 1 0 511.622 3.715 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776946 553306447 /nfs/dbraw/zinc/30/64/47/553306447.db2.gz RYYZAEGIGAMAKY-VMPREFPWSA-N 1 0 511.622 3.715 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776947 553306475 /nfs/dbraw/zinc/30/64/75/553306475.db2.gz PKKFWJJYDCTMEY-FQLXRVMXSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776948 553306507 /nfs/dbraw/zinc/30/65/07/553306507.db2.gz PKKFWJJYDCTMEY-URLMMPGGSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009778854 553307202 /nfs/dbraw/zinc/30/72/02/553307202.db2.gz PKKFWJJYDCTMEY-WDYNHAJCSA-N 1 0 526.637 3.931 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009778858 553307142 /nfs/dbraw/zinc/30/71/42/553307142.db2.gz PKKFWJJYDCTMEY-VMPREFPWSA-N 1 0 526.637 3.931 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000009836187 553310795 /nfs/dbraw/zinc/31/07/95/553310795.db2.gz MVWXXPQFHLFEEK-YADARESESA-N 1 0 501.425 3.809 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000009836188 553310763 /nfs/dbraw/zinc/31/07/63/553310763.db2.gz MVWXXPQFHLFEEK-DVECYGJZSA-N 1 0 501.425 3.809 50 0 KHAARO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000009836189 553310767 /nfs/dbraw/zinc/31/07/67/553310767.db2.gz MVWXXPQFHLFEEK-NTKDMRAZSA-N 1 0 501.425 3.809 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000009836190 553310782 /nfs/dbraw/zinc/31/07/82/553310782.db2.gz VJPKZSNKKBQLCA-NTKDMRAZSA-N 1 0 501.425 3.864 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000009836191 553310757 /nfs/dbraw/zinc/31/07/57/553310757.db2.gz VJPKZSNKKBQLCA-YADARESESA-N 1 0 501.425 3.864 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000009836192 553310778 /nfs/dbraw/zinc/31/07/78/553310778.db2.gz SSMVSHYGRCXYNC-HTAPYJJXSA-N 1 0 507.816 3.900 50 0 KHAARO CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3C2=O)CC1 ZINC000009838863 553310852 /nfs/dbraw/zinc/31/08/52/553310852.db2.gz XJNUGLJRJAZJHF-UHFFFAOYSA-N 1 0 504.631 3.658 50 0 KHAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009841707 553311220 /nfs/dbraw/zinc/31/12/20/553311220.db2.gz AYLBZENJEIBEIB-ATIYNZHBSA-N 1 0 513.635 3.663 50 0 KHAARO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009841709 553311191 /nfs/dbraw/zinc/31/11/91/553311191.db2.gz AYLBZENJEIBEIB-BKMJKUGQSA-N 1 0 513.635 3.663 50 0 KHAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)cc1 ZINC000009841722 553311168 /nfs/dbraw/zinc/31/11/68/553311168.db2.gz AYLBZENJEIBEIB-GJZUVCINSA-N 1 0 513.635 3.663 50 0 KHAARO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)cc1 ZINC000009935349 553318369 /nfs/dbraw/zinc/31/83/69/553318369.db2.gz AYLBZENJEIBEIB-NVQXNPDNSA-N 1 0 513.635 3.663 50 0 KHAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935385 553318398 /nfs/dbraw/zinc/31/83/98/553318398.db2.gz JRGPOTDZHIETQR-YIXXDRMTSA-N 1 0 525.646 3.807 50 0 KHAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935389 553318356 /nfs/dbraw/zinc/31/83/56/553318356.db2.gz JRGPOTDZHIETQR-KCWPFWIISA-N 1 0 525.646 3.807 50 0 KHAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935393 553318379 /nfs/dbraw/zinc/31/83/79/553318379.db2.gz JRGPOTDZHIETQR-WNCULLNHSA-N 1 0 525.646 3.807 50 0 KHAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935396 553318405 /nfs/dbraw/zinc/31/84/05/553318405.db2.gz JRGPOTDZHIETQR-HOFKKMOUSA-N 1 0 525.646 3.807 50 0 KHAARO CC(C)Cn1c2nnc(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000009939309 553319097 /nfs/dbraw/zinc/31/90/97/553319097.db2.gz TYOWJCZHVRCRIR-UHFFFAOYSA-N 1 0 506.676 3.865 50 0 KHAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)s2)cc1 ZINC000009972052 553322893 /nfs/dbraw/zinc/32/28/93/553322893.db2.gz ABHDNXXIOAOKCR-UHFFFAOYSA-N 1 0 523.707 3.768 50 0 KHAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)CC1 ZINC000009972177 553323093 /nfs/dbraw/zinc/32/30/93/553323093.db2.gz NPDJTDKPRSHYSZ-UHFFFAOYSA-N 1 0 510.708 3.875 50 0 KHAARO CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCC[NH+](CC)CC)c2ccccc21 ZINC000010004065 553325289 /nfs/dbraw/zinc/32/52/89/553325289.db2.gz PLSBUBFUFVAWAB-KQWNVCNZSA-N 1 0 522.646 3.916 50 0 KHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000010013298 553325773 /nfs/dbraw/zinc/32/57/73/553325773.db2.gz XWHBDSXZCBIVML-AZUAARDMSA-N 1 0 501.697 3.552 50 0 KHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000010013299 553325770 /nfs/dbraw/zinc/32/57/70/553325770.db2.gz XWHBDSXZCBIVML-ICSRJNTNSA-N 1 0 501.697 3.552 50 0 KHAARO CC[N@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C)Cc1ccccc1 ZINC000010013316 553325783 /nfs/dbraw/zinc/32/57/83/553325783.db2.gz SSTAUVKQDQZLQV-FQEVSTJZSA-N 1 0 523.703 3.809 50 0 KHAARO CC[N@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C)Cc1ccccc1 ZINC000010013317 553325845 /nfs/dbraw/zinc/32/58/45/553325845.db2.gz SSTAUVKQDQZLQV-HXUWFJFHSA-N 1 0 523.703 3.809 50 0 KHAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000010065816 553327779 /nfs/dbraw/zinc/32/77/79/553327779.db2.gz JUEWWIKRCLLUGA-UHFFFAOYSA-N 1 0 502.662 3.688 50 0 KHAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1 ZINC000010068389 553327799 /nfs/dbraw/zinc/32/77/99/553327799.db2.gz FDWFREYYDGUPJN-UHFFFAOYSA-N 1 0 502.662 3.688 50 0 KHAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000010068783 553327862 /nfs/dbraw/zinc/32/78/62/553327862.db2.gz ZBRLASSYFLAUMQ-UHFFFAOYSA-N 1 0 508.616 3.958 50 0 KHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)nc2c1C ZINC000010186781 553330296 /nfs/dbraw/zinc/33/02/96/553330296.db2.gz VRSOWKDNTOKVTO-UHFFFAOYSA-N 1 0 506.719 3.970 50 0 KHAARO C[NH+](C)CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc2ccc(Br)cc2s1 ZINC000010463386 553337280 /nfs/dbraw/zinc/33/72/80/553337280.db2.gz MNFBNSFOZKPGJL-UHFFFAOYSA-N 1 0 501.406 3.921 50 0 KHAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)CC3)cc2)cn1 ZINC000011790975 553343252 /nfs/dbraw/zinc/34/32/52/553343252.db2.gz UUBAJJBAEHILQF-UHFFFAOYSA-N 1 0 503.647 3.572 50 0 KHAARO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](C3CCCCCC3)C2)c1C(=O)OC ZINC000011911149 1066503673 /nfs/dbraw/zinc/50/36/73/1066503673.db2.gz CVJLDQXKODIUPJ-ICSRJNTNSA-N 1 0 515.636 3.550 50 0 KHAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)N(C3CC[NH+](C)CC3)C2)cc1 ZINC000011965178 553349669 /nfs/dbraw/zinc/34/96/69/553349669.db2.gz UCKGRGUZWGYKSQ-SQHAQQRYSA-N 1 0 512.695 3.812 50 0 KHAARO CN(C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(Cl)c2)C3=O)CC1)C1CC[NH+](C)CC1 ZINC000011973456 553349649 /nfs/dbraw/zinc/34/96/49/553349649.db2.gz LKFJDEBJYKBDIS-UHFFFAOYSA-N 1 0 509.050 3.905 50 0 KHAARO COc1ccccc1-c1ccc(C(=O)NCc2ccco2)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000011976689 553349781 /nfs/dbraw/zinc/34/97/81/553349781.db2.gz PSXWJNYHINRRLL-OAQYLSRUSA-N 1 0 504.631 3.953 50 0 KHAARO COc1ccccc1-c1ccc(C(=O)NCc2ccco2)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000011976695 553349773 /nfs/dbraw/zinc/34/97/73/553349773.db2.gz PSXWJNYHINRRLL-NRFANRHFSA-N 1 0 504.631 3.953 50 0 KHAARO CCOC(=O)N1CCC([NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)CC1 ZINC000012135784 1066504990 /nfs/dbraw/zinc/50/49/90/1066504990.db2.gz XQBBLYPECBSCEC-UHFFFAOYSA-N 1 0 511.022 3.879 50 0 KHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 ZINC000012135933 553351710 /nfs/dbraw/zinc/35/17/10/553351710.db2.gz UUJAWRCYODDTHS-UHFFFAOYSA-N 1 0 531.682 3.746 50 0 KHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000012140786 553352354 /nfs/dbraw/zinc/35/23/54/553352354.db2.gz RMHKMYBFADTCPH-RTBURBONSA-N 1 0 516.689 3.611 50 0 KHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)sc2c1 ZINC000012140788 553352299 /nfs/dbraw/zinc/35/22/99/553352299.db2.gz HFDMJMMLJIPFOF-HXUWFJFHSA-N 1 0 516.689 3.613 50 0 KHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000012140811 553352320 /nfs/dbraw/zinc/35/23/20/553352320.db2.gz PJSJQOVKUANPEK-KDURUIRLSA-N 1 0 516.689 3.611 50 0 KHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc21 ZINC000012140813 553352209 /nfs/dbraw/zinc/35/22/09/553352209.db2.gz CEQWGRNXFPHZHY-FQEVSTJZSA-N 1 0 516.689 3.613 50 0 KHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)nc21 ZINC000012140814 553352306 /nfs/dbraw/zinc/35/23/06/553352306.db2.gz CEQWGRNXFPHZHY-HXUWFJFHSA-N 1 0 516.689 3.613 50 0 KHAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000012140828 553352235 /nfs/dbraw/zinc/35/22/35/553352235.db2.gz IGKDBZLGTNPMPQ-UHFFFAOYSA-N 1 0 516.689 3.996 50 0 KHAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000012140862 553352230 /nfs/dbraw/zinc/35/22/30/553352230.db2.gz YZOUYFLZEQTDEI-UHFFFAOYSA-N 1 0 504.678 3.934 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140885 553352246 /nfs/dbraw/zinc/35/22/46/553352246.db2.gz UEXYHJOKHKXGFV-UHFFFAOYSA-N 1 0 508.600 3.710 50 0 KHAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000012140933 553352346 /nfs/dbraw/zinc/35/23/46/553352346.db2.gz XABZJIBXQHYQEB-UHFFFAOYSA-N 1 0 523.080 3.569 50 0 KHAARO COCCN(Cc1cc2ccc(C)cc2nc1N1CC[NH+](CCO)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012190736 1066504824 /nfs/dbraw/zinc/50/48/24/1066504824.db2.gz BJCGCZFFBXOEHX-UHFFFAOYSA-N 1 0 530.591 3.965 50 0 KHAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012245908 553355042 /nfs/dbraw/zinc/35/50/42/553355042.db2.gz DJVWFBWSNJVXGW-SAGWHXFDSA-N 1 0 515.610 3.686 50 0 KHAARO CC[NH+](CC)CCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3=O)CC1 ZINC000012247980 553355430 /nfs/dbraw/zinc/35/54/30/553355430.db2.gz YASPXIGWYXQIEA-UHFFFAOYSA-N 1 0 536.673 3.517 50 0 KHAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000012278783 1066504800 /nfs/dbraw/zinc/50/48/00/1066504800.db2.gz VZECITGRLAAWHI-CUBQBAPOSA-N 1 0 502.659 3.838 50 0 KHAARO O=C(COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012375963 553361231 /nfs/dbraw/zinc/36/12/31/553361231.db2.gz KFROHVBORWBGLA-QHVWKXNMSA-N 1 0 515.654 3.814 50 0 KHAARO O=C(COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012375964 553361240 /nfs/dbraw/zinc/36/12/40/553361240.db2.gz KFROHVBORWBGLA-UGMUEJTRSA-N 1 0 515.654 3.814 50 0 KHAARO O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012376227 553361190 /nfs/dbraw/zinc/36/11/90/553361190.db2.gz BKTLQYSAXGYAOV-RBJJYRQESA-N 1 0 529.681 3.684 50 0 KHAARO O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012376228 553361283 /nfs/dbraw/zinc/36/12/83/553361283.db2.gz BKTLQYSAXGYAOV-YENACGQESA-N 1 0 529.681 3.684 50 0 KHAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000012452440 553366841 /nfs/dbraw/zinc/36/68/41/553366841.db2.gz ZAPQLBBPMFTTDU-YADHBBJMSA-N 1 0 523.625 3.891 50 0 KHAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3s2)CC1 ZINC000012488817 553379406 /nfs/dbraw/zinc/37/94/06/553379406.db2.gz VFTNYSNUFOMQBI-UHFFFAOYSA-N 1 0 514.673 3.832 50 0 KHAARO COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000012508878 1066504953 /nfs/dbraw/zinc/50/49/53/1066504953.db2.gz HLGPDGVDKISWAY-VWNXMTODSA-N 1 0 503.565 3.645 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000012521561 561711166 /nfs/dbraw/zinc/71/11/66/561711166.db2.gz PECRXJFYORLHIM-MDWZMJQESA-N 1 0 500.640 3.794 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000012521680 553382801 /nfs/dbraw/zinc/38/28/01/553382801.db2.gz ZTGBCUMTFJBGEX-UHFFFAOYSA-N 1 0 523.074 3.977 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000012521987 553382848 /nfs/dbraw/zinc/38/28/48/553382848.db2.gz YVFSPCXAFARSTI-HXUWFJFHSA-N 1 0 518.655 3.548 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000012521988 553382766 /nfs/dbraw/zinc/38/27/66/553382766.db2.gz YVFSPCXAFARSTI-FQEVSTJZSA-N 1 0 518.655 3.548 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000012522189 553382893 /nfs/dbraw/zinc/38/28/93/553382893.db2.gz BSCKUJATWHZPDO-UHFFFAOYSA-N 1 0 522.618 3.857 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000012522636 553382922 /nfs/dbraw/zinc/38/29/22/553382922.db2.gz XSXBGEABBOCYIF-UHFFFAOYSA-N 1 0 535.110 3.982 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000012522678 553382917 /nfs/dbraw/zinc/38/29/17/553382917.db2.gz PTDUZSANWQRDII-UHFFFAOYSA-N 1 0 522.618 3.857 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000012523038 553382942 /nfs/dbraw/zinc/38/29/42/553382942.db2.gz XZQSALDDMBADKH-UHFFFAOYSA-N 1 0 521.083 3.674 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000012523075 553382967 /nfs/dbraw/zinc/38/29/67/553382967.db2.gz BZWNBTIJLRHNDZ-UHFFFAOYSA-N 1 0 535.110 3.982 50 0 KHAARO O[C@@H](C[NH2+]CCCN1CCOCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000012524574 553383561 /nfs/dbraw/zinc/38/35/61/553383561.db2.gz BZDSSPKDHXTSLA-SFHVURJKSA-N 1 0 525.285 3.992 50 0 KHAARO O[C@H](C[NH2+]CCCN1CCOCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000012524575 553383537 /nfs/dbraw/zinc/38/35/37/553383537.db2.gz BZDSSPKDHXTSLA-GOSISDBHSA-N 1 0 525.285 3.992 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2cc(C)ccc2Cl)CC1 ZINC000012528578 553384648 /nfs/dbraw/zinc/38/46/48/553384648.db2.gz IJEBYZKDEQWNCF-UHFFFAOYSA-N 1 0 535.110 3.982 50 0 KHAARO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)C[NH2+]CCCn1ccnc1 ZINC000012558551 553393693 /nfs/dbraw/zinc/39/36/93/553393693.db2.gz XPIBPADBURGDKU-FQRUVTKNSA-N 1 0 505.619 3.538 50 0 KHAARO CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)C[NH2+]CCCn1ccnc1 ZINC000012558553 553393736 /nfs/dbraw/zinc/39/37/36/553393736.db2.gz XPIBPADBURGDKU-RXFWQSSRSA-N 1 0 505.619 3.538 50 0 KHAARO CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)C[NH2+]CCCn1ccnc1 ZINC000012558555 553393713 /nfs/dbraw/zinc/39/37/13/553393713.db2.gz XPIBPADBURGDKU-IBVKSMDESA-N 1 0 505.619 3.538 50 0 KHAARO CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)C[NH2+]CCCn1ccnc1 ZINC000012558556 553393649 /nfs/dbraw/zinc/39/36/49/553393649.db2.gz XPIBPADBURGDKU-FNZWTVRRSA-N 1 0 505.619 3.538 50 0 KHAARO CN(Cn1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n(-c2ccccc2)c1=S)C1CC[NH+](C)CC1 ZINC000012565898 553397004 /nfs/dbraw/zinc/39/70/04/553397004.db2.gz ADKCEKZMYSNDDR-UHFFFAOYSA-N 1 0 526.732 3.838 50 0 KHAARO CCOC(=O)N1CCC([NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)CC1 ZINC000012573195 553398441 /nfs/dbraw/zinc/39/84/41/553398441.db2.gz IXLYYXZDCBOHSN-UHFFFAOYSA-N 1 0 511.022 3.879 50 0 KHAARO COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[NH+]2CCCCC2)cc1 ZINC000012633646 553406099 /nfs/dbraw/zinc/40/60/99/553406099.db2.gz MVXWJMVUJXSZBV-XMMPIXPASA-N 1 0 503.640 3.578 50 0 KHAARO COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[NH+]2CCCCC2)cc1 ZINC000012633650 553406201 /nfs/dbraw/zinc/40/62/01/553406201.db2.gz MVXWJMVUJXSZBV-DEOSSOPVSA-N 1 0 503.640 3.578 50 0 KHAARO CC[NH+](CC)CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000012865729 553423484 /nfs/dbraw/zinc/42/34/84/553423484.db2.gz ILOXBEHYRNZXGI-LJAQVGFWSA-N 1 0 517.630 3.878 50 0 biogenic KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012895267 553426561 /nfs/dbraw/zinc/42/65/61/553426561.db2.gz HLMDXVXISRHHOA-UHFFFAOYSA-N 1 0 500.665 3.575 50 0 KHAARO C[NH+](C)[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000013003004 553431861 /nfs/dbraw/zinc/43/18/61/553431861.db2.gz ZXSTYWQKRFNYIV-UGKGYDQZSA-N 1 0 501.052 3.740 50 0 KHAARO C[NH+](C)[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000013003006 553431868 /nfs/dbraw/zinc/43/18/68/553431868.db2.gz ZXSTYWQKRFNYIV-SIKLNZKXSA-N 1 0 501.052 3.740 50 0 KHAARO C[NH+](C)[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000013003007 553432057 /nfs/dbraw/zinc/43/20/57/553432057.db2.gz ZXSTYWQKRFNYIV-KNQAVFIVSA-N 1 0 501.052 3.740 50 0 KHAARO C[NH+](C)[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000013003009 553432049 /nfs/dbraw/zinc/43/20/49/553432049.db2.gz ZXSTYWQKRFNYIV-DENIHFKCSA-N 1 0 501.052 3.740 50 0 KHAARO C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000013024166 553434219 /nfs/dbraw/zinc/43/42/19/553434219.db2.gz FACJLGXUVVXWOR-MRXNPFEDSA-N 1 0 510.454 3.570 50 0 KHAARO C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000013024170 553434241 /nfs/dbraw/zinc/43/42/41/553434241.db2.gz FACJLGXUVVXWOR-INIZCTEOSA-N 1 0 510.454 3.570 50 0 KHAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000013110100 553448156 /nfs/dbraw/zinc/44/81/56/553448156.db2.gz QQLCXNUCKREGLK-LJQANCHMSA-N 1 0 508.065 3.921 50 0 KHAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000013110101 553448225 /nfs/dbraw/zinc/44/82/25/553448225.db2.gz QQLCXNUCKREGLK-IBGZPJMESA-N 1 0 508.065 3.921 50 0 KHAARO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2)cc1 ZINC000013134184 553452140 /nfs/dbraw/zinc/45/21/40/553452140.db2.gz HYUUMADZAZWALG-UHFFFAOYSA-N 1 0 522.671 3.898 50 0 KHAARO COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)c2)cc1 ZINC000013134378 553452112 /nfs/dbraw/zinc/45/21/12/553452112.db2.gz NWBZKGRVHQPPKJ-UHFFFAOYSA-N 1 0 508.644 3.833 50 0 KHAARO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)ccc1Cl ZINC000013137739 553453196 /nfs/dbraw/zinc/45/31/96/553453196.db2.gz DXRVWOLCMXLVPE-UHFFFAOYSA-N 1 0 509.072 3.694 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013138151 553453651 /nfs/dbraw/zinc/45/36/51/553453651.db2.gz WJMHTPHIMSFGEL-UHFFFAOYSA-N 1 0 500.665 3.575 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000013148922 553456156 /nfs/dbraw/zinc/45/61/56/553456156.db2.gz RYUFNAPYSJJCQR-UHFFFAOYSA-N 1 0 520.655 3.518 50 0 KHAARO COC(=O)c1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013149326 553456315 /nfs/dbraw/zinc/45/63/15/553456315.db2.gz FHFWGTSSSANAGP-RUZDIDTESA-N 1 0 504.631 3.606 50 0 KHAARO COC(=O)c1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013149327 553456360 /nfs/dbraw/zinc/45/63/60/553456360.db2.gz FHFWGTSSSANAGP-VWLOTQADSA-N 1 0 504.631 3.606 50 0 KHAARO COc1cc(C[NH2+]CCCN2CCOCC2)c(Br)cc1OCC(=O)Nc1ccccc1C ZINC000013153138 553456818 /nfs/dbraw/zinc/45/68/18/553456818.db2.gz SMZZOEAOXPKOON-UHFFFAOYSA-N 1 0 506.441 3.596 50 0 KHAARO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000013521378 553468207 /nfs/dbraw/zinc/46/82/07/553468207.db2.gz PRUSMYOGHAOOQV-VOTSOKGWSA-N 1 0 520.721 3.854 50 0 KHAARO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000013521383 553468215 /nfs/dbraw/zinc/46/82/15/553468215.db2.gz IXYMTARGRYZLSM-CSHXORCISA-N 1 0 520.721 3.854 50 0 KHAARO O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013573759 553474485 /nfs/dbraw/zinc/47/44/85/553474485.db2.gz QVCBNOHMYRYEHR-UHFFFAOYSA-N 1 0 511.669 3.945 50 0 KHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2ccc(Br)cc23)c1 ZINC000013591645 553477045 /nfs/dbraw/zinc/47/70/45/553477045.db2.gz LRVYJXSZRDWEEE-KNUWZQJKSA-N 1 0 520.449 3.984 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000013591820 553477026 /nfs/dbraw/zinc/47/70/26/553477026.db2.gz OFGAUJZCTPUCFP-CPBHOCDRSA-N 1 0 506.562 3.653 50 0 KHAARO CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000013795547 553491052 /nfs/dbraw/zinc/49/10/52/553491052.db2.gz WGVCDEKJZCFFLS-OAQYLSRUSA-N 1 0 530.735 3.826 50 0 KHAARO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000013986815 553499042 /nfs/dbraw/zinc/49/90/42/553499042.db2.gz XQVVPGYIWAGRNI-JOCHJYFZSA-N 1 0 521.666 3.557 50 0 investigational KHAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532422 553517653 /nfs/dbraw/zinc/51/76/53/553517653.db2.gz ZHFQWBJHZGYEMQ-WUFINQPMSA-N 1 0 512.654 3.658 50 0 KHAARO CC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@@H]2CCOC2)c(C(=O)OC)n3CCc2ccccc2)CC1 ZINC000014532789 1066880949 /nfs/dbraw/zinc/88/09/49/1066880949.db2.gz CDVGBHHYIKHXBK-OAQYLSRUSA-N 1 0 519.646 3.937 50 0 KHAARO CC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@H]2CCOC2)c(C(=O)OC)n3CCc2ccccc2)CC1 ZINC000014532790 1066880969 /nfs/dbraw/zinc/88/09/69/1066880969.db2.gz CDVGBHHYIKHXBK-NRFANRHFSA-N 1 0 519.646 3.937 50 0 KHAARO CCC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)Cc2ccccc2)c(C(=O)OC)n3CCOC)CC1 ZINC000014533543 553517887 /nfs/dbraw/zinc/51/78/87/553517887.db2.gz IMCNSVWUBGEQJK-UHFFFAOYSA-N 1 0 507.635 3.937 50 0 KHAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014534069 1066855113 /nfs/dbraw/zinc/85/51/13/1066855113.db2.gz YVQWCDUXQPSTAY-LITSAYRRSA-N 1 0 505.703 3.573 50 0 KHAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535983 1066855759 /nfs/dbraw/zinc/85/57/59/1066855759.db2.gz FBZXAYFGPWJQSL-SHQCIBLASA-N 1 0 501.627 3.655 50 0 KHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](CCc2ccccc2)C1 ZINC000014537982 1066855950 /nfs/dbraw/zinc/85/59/50/1066855950.db2.gz WEBRGZZPVAEZKX-XZOQPEGZSA-N 1 0 503.574 3.990 50 0 KHAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3c[nH]cn3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014538751 553518215 /nfs/dbraw/zinc/51/82/15/553518215.db2.gz YTXJTHAWZVENSQ-WIOPSUGQSA-N 1 0 518.658 3.792 50 0 KHAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014539541 1066855624 /nfs/dbraw/zinc/85/56/24/1066855624.db2.gz HITBJAMLZMVRRO-LBNVMWSVSA-N 1 0 502.659 3.509 50 0 KHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccncc2)C1 ZINC000014539644 1066855870 /nfs/dbraw/zinc/85/58/70/1066855870.db2.gz FXFVYBQJAKGBKO-LOSJGSFVSA-N 1 0 512.610 3.692 50 0 KHAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014731256 553519302 /nfs/dbraw/zinc/51/93/02/553519302.db2.gz ZJMGBKBGKNDMMQ-GSLIJJQTSA-N 1 0 521.658 3.565 50 0 KHAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014731259 553519404 /nfs/dbraw/zinc/51/94/04/553519404.db2.gz ZJMGBKBGKNDMMQ-BFLUCZKCSA-N 1 0 521.658 3.565 50 0 KHAARO Cn1ccnc1CN1C[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855682 /nfs/dbraw/zinc/85/56/82/1066855682.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 1 0 507.601 3.557 50 0 KHAARO Cn1ccnc1CN1C[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855969 /nfs/dbraw/zinc/85/59/69/1066855969.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 1 0 507.601 3.557 50 0 KHAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3cn(C)c4ccccc34)CC2)C1=O ZINC000014740666 553519600 /nfs/dbraw/zinc/51/96/00/553519600.db2.gz TZWATWLLOWRWNR-UHFFFAOYSA-N 1 0 504.631 3.675 50 0 KHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014741884 553519643 /nfs/dbraw/zinc/51/96/43/553519643.db2.gz BPSMUYDXDVTZAV-LEWJYISDSA-N 1 0 505.546 3.653 50 0 KHAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccncc3)C2)cc1OC ZINC000014744725 553520042 /nfs/dbraw/zinc/52/00/42/553520042.db2.gz RGQHDPUQISGODX-FCHUYYIVSA-N 1 0 506.578 3.631 50 0 KHAARO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014749931 1066856440 /nfs/dbraw/zinc/85/64/40/1066856440.db2.gz NJTQLQWELBUTFS-WIOPSUGQSA-N 1 0 504.606 3.637 50 0 KHAARO C[NH+]1CCC(N2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000014881974 553521024 /nfs/dbraw/zinc/52/10/24/553521024.db2.gz OACNCZHCADGOJZ-OZXSUGGESA-N 1 0 500.659 3.943 50 0 KHAARO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014951684 553522340 /nfs/dbraw/zinc/52/23/40/553522340.db2.gz HRUWMGSKFOZWOM-NRFANRHFSA-N 1 0 507.656 3.911 50 0 KHAARO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014951688 553522376 /nfs/dbraw/zinc/52/23/76/553522376.db2.gz HRUWMGSKFOZWOM-OAQYLSRUSA-N 1 0 507.656 3.911 50 0 KHAARO COc1cc(C[NH2+]Cc2cc3ccc(SC)cc3nc2N2CCN(C(C)=O)CC2)cc(OC)c1OC ZINC000014955996 1066856655 /nfs/dbraw/zinc/85/66/55/1066856655.db2.gz VCQQDZJTEOHELJ-UHFFFAOYSA-N 1 0 510.660 3.941 50 0 KHAARO CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2C[NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000014957155 1066856555 /nfs/dbraw/zinc/85/65/55/1066856555.db2.gz PHOITYIZFVTWGR-OAQYLSRUSA-N 1 0 521.614 3.961 50 0 KHAARO CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2C[NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000014957159 1066856697 /nfs/dbraw/zinc/85/66/97/1066856697.db2.gz PHOITYIZFVTWGR-NRFANRHFSA-N 1 0 521.614 3.961 50 0 KHAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000014968681 553522558 /nfs/dbraw/zinc/52/25/58/553522558.db2.gz WJSKSTBUEQMBSE-HOFKKMOUSA-N 1 0 502.659 3.838 50 0 KHAARO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])cc1 ZINC000014970387 561750965 /nfs/dbraw/zinc/75/09/65/561750965.db2.gz OZSZELOMMMKWTM-HHHXNRCGSA-N 1 0 508.626 3.960 50 0 KHAARO CC[NH+](CC)CCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000014979884 553523142 /nfs/dbraw/zinc/52/31/42/553523142.db2.gz HDEYMGPKTNPJSJ-UHFFFAOYSA-N 1 0 536.673 3.517 50 0 KHAARO CN(C)C(=O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014981974 553523522 /nfs/dbraw/zinc/52/35/22/553523522.db2.gz NXYVYWGXIKADFL-SQJMNOBHSA-N 1 0 503.613 3.982 50 0 KHAARO COCC[NH+]1CCC(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 ZINC000014989005 553523923 /nfs/dbraw/zinc/52/39/23/553523923.db2.gz GPGXESSLKXXDCF-UHFFFAOYSA-N 1 0 500.647 3.784 50 0 KHAARO COCCNC(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014992159 553524171 /nfs/dbraw/zinc/52/41/71/553524171.db2.gz LAZCUOBDVDFAJR-JYFHCDHNSA-N 1 0 533.639 3.656 50 0 KHAARO O=C(c1cnsn1)N1CCN(CCOc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000014994447 553524400 /nfs/dbraw/zinc/52/44/00/553524400.db2.gz OFCWCNKOBRIWHN-UHFFFAOYSA-N 1 0 505.688 3.830 50 0 KHAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014994982 1066857416 /nfs/dbraw/zinc/85/74/16/1066857416.db2.gz OLCJRSWPXTUZJD-LJAQVGFWSA-N 1 0 526.681 3.901 50 0 KHAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014994985 1066505321 /nfs/dbraw/zinc/50/53/21/1066505321.db2.gz OLCJRSWPXTUZJD-GDLZYMKVSA-N 1 0 526.681 3.901 50 0 KHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)NC2CCCC2)CC1 ZINC000015000370 553524929 /nfs/dbraw/zinc/52/49/29/553524929.db2.gz KBXYUPDSTSLKQB-AHKZPQOWSA-N 1 0 505.707 3.942 50 0 KHAARO COCCNC(=O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000015002999 553524914 /nfs/dbraw/zinc/52/49/14/553524914.db2.gz JSUDUFQVFRYGOS-AZGAKELHSA-N 1 0 529.125 3.904 50 0 KHAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000015319402 553531740 /nfs/dbraw/zinc/53/17/40/553531740.db2.gz JMXMFWMSRKNQRT-VYBXLEJVSA-N 1 0 525.605 3.769 50 0 KHAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000015933662 553542439 /nfs/dbraw/zinc/54/24/39/553542439.db2.gz RLVPUEKFSPVLEK-UHFFFAOYSA-N 1 0 500.650 3.791 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC000015943933 553543650 /nfs/dbraw/zinc/54/36/50/553543650.db2.gz NSGFMDWWVUAYKS-NHCUHLMSSA-N 1 0 517.740 3.840 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC000015943938 553543660 /nfs/dbraw/zinc/54/36/60/553543660.db2.gz NSGFMDWWVUAYKS-OYRHEFFESA-N 1 0 517.740 3.840 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC000015943941 553543623 /nfs/dbraw/zinc/54/36/23/553543623.db2.gz NSGFMDWWVUAYKS-SFTDATJTSA-N 1 0 517.740 3.840 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc(C(C)C)cc1 ZINC000015943943 553543732 /nfs/dbraw/zinc/54/37/32/553543732.db2.gz QJBBXPGZGKRRHL-UHFFFAOYSA-N 1 0 503.713 3.594 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000015958857 553546567 /nfs/dbraw/zinc/54/65/67/553546567.db2.gz UUIUYODJCQVIOQ-KYALDGGBSA-N 1 0 501.970 3.825 50 0 biogenic KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015959409 553546720 /nfs/dbraw/zinc/54/67/20/553546720.db2.gz DCNZOUZVSZWKDG-BYBRNZAOSA-N 1 0 518.573 3.847 50 0 biogenic KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015959411 553546781 /nfs/dbraw/zinc/54/67/81/553546781.db2.gz DCNZOUZVSZWKDG-ALBQUZEBSA-N 1 0 518.573 3.847 50 0 biogenic KHAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959555 553546700 /nfs/dbraw/zinc/54/67/00/553546700.db2.gz UTUGTZSBUFKCBH-HNFJUSDZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959556 553546687 /nfs/dbraw/zinc/54/66/87/553546687.db2.gz UTUGTZSBUFKCBH-MVPDCNEZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959557 553546731 /nfs/dbraw/zinc/54/67/31/553546731.db2.gz UTUGTZSBUFKCBH-IDCDSMMUSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959558 553546693 /nfs/dbraw/zinc/54/66/93/553546693.db2.gz UTUGTZSBUFKCBH-CHCBTGSZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959787 553546885 /nfs/dbraw/zinc/54/68/85/553546885.db2.gz RBSVJJVZWFLJPK-HNFJUSDZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959788 553546909 /nfs/dbraw/zinc/54/69/09/553546909.db2.gz RBSVJJVZWFLJPK-MVPDCNEZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959789 553546872 /nfs/dbraw/zinc/54/68/72/553546872.db2.gz RBSVJJVZWFLJPK-IDCDSMMUSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015959790 553546913 /nfs/dbraw/zinc/54/69/13/553546913.db2.gz RBSVJJVZWFLJPK-CHCBTGSZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959834 553546896 /nfs/dbraw/zinc/54/68/96/553546896.db2.gz BMRYSESXNCXYHH-APSVEGKFSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959836 553546930 /nfs/dbraw/zinc/54/69/30/553546930.db2.gz BMRYSESXNCXYHH-JLMYGFKKSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959837 553546870 /nfs/dbraw/zinc/54/68/70/553546870.db2.gz BMRYSESXNCXYHH-GBXYDCMPSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959838 553546946 /nfs/dbraw/zinc/54/69/46/553546946.db2.gz BMRYSESXNCXYHH-ANARSLNQSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO Cc1cccc(Cn2c3ccccc3c(=O)n(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)c1 ZINC000015962756 553547214 /nfs/dbraw/zinc/54/72/14/553547214.db2.gz RNGBZXFSFKAQLY-UHFFFAOYSA-N 1 0 510.638 3.691 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000015969064 553547354 /nfs/dbraw/zinc/54/73/54/553547354.db2.gz AQAXVSXRTIGQKY-PCEYSVKOSA-N 1 0 520.589 3.961 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000015969068 553547315 /nfs/dbraw/zinc/54/73/15/553547315.db2.gz AQAXVSXRTIGQKY-XZSHTLEFSA-N 1 0 520.589 3.961 50 0 biogenic KHAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969144 553547287 /nfs/dbraw/zinc/54/72/87/553547287.db2.gz IFSPPVVNRZZSCT-HNFJUSDZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969146 553547329 /nfs/dbraw/zinc/54/73/29/553547329.db2.gz IFSPPVVNRZZSCT-MVPDCNEZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969148 553547269 /nfs/dbraw/zinc/54/72/69/553547269.db2.gz IFSPPVVNRZZSCT-IDCDSMMUSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969150 553547378 /nfs/dbraw/zinc/54/73/78/553547378.db2.gz IFSPPVVNRZZSCT-CHCBTGSZSA-N 1 0 515.997 3.560 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015969415 553547418 /nfs/dbraw/zinc/54/74/18/553547418.db2.gz IRFOMQVEONEZJC-YTEUAAESSA-N 1 0 506.562 3.653 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000015969417 553547361 /nfs/dbraw/zinc/54/73/61/553547361.db2.gz IRFOMQVEONEZJC-TUAOVVRQSA-N 1 0 506.562 3.653 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969693 553547593 /nfs/dbraw/zinc/54/75/93/553547593.db2.gz JWTWGSQETICJPA-HNFJUSDZSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969695 553547613 /nfs/dbraw/zinc/54/76/13/553547613.db2.gz JWTWGSQETICJPA-MVPDCNEZSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969697 553547533 /nfs/dbraw/zinc/54/75/33/553547533.db2.gz JWTWGSQETICJPA-IDCDSMMUSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015969699 553547546 /nfs/dbraw/zinc/54/75/46/553547546.db2.gz JWTWGSQETICJPA-CHCBTGSZSA-N 1 0 510.981 3.985 50 0 biogenic KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000015971955 553547514 /nfs/dbraw/zinc/54/75/14/553547514.db2.gz OFGAUJZCTPUCFP-YTEUAAESSA-N 1 0 506.562 3.653 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000015971957 553547521 /nfs/dbraw/zinc/54/75/21/553547521.db2.gz OFGAUJZCTPUCFP-TUAOVVRQSA-N 1 0 506.562 3.653 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)c1 ZINC000015972235 553547603 /nfs/dbraw/zinc/54/76/03/553547603.db2.gz ZBBALFQLJJDNOW-ZRIOWSNCSA-N 1 0 506.562 3.653 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)c1 ZINC000015972237 553547529 /nfs/dbraw/zinc/54/75/29/553547529.db2.gz ZBBALFQLJJDNOW-SODQHWRNSA-N 1 0 506.562 3.653 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015972580 553547620 /nfs/dbraw/zinc/54/76/20/553547620.db2.gz NCWMIZJSSSWXSP-YTEUAAESSA-N 1 0 504.546 3.538 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015972582 553547579 /nfs/dbraw/zinc/54/75/79/553547579.db2.gz NCWMIZJSSSWXSP-TUAOVVRQSA-N 1 0 504.546 3.538 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010084 553550482 /nfs/dbraw/zinc/55/04/82/553550482.db2.gz HOTNDFCDXYFCRR-TUAOVVRQSA-N 1 0 507.521 3.852 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010085 553550488 /nfs/dbraw/zinc/55/04/88/553550488.db2.gz HOTNDFCDXYFCRR-YTEUAAESSA-N 1 0 507.521 3.852 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010086 553550452 /nfs/dbraw/zinc/55/04/52/553550452.db2.gz HOTNDFCDXYFCRR-YRIIQKNPSA-N 1 0 507.521 3.852 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000016010087 553550466 /nfs/dbraw/zinc/55/04/66/553550466.db2.gz HOTNDFCDXYFCRR-CPBHOCDRSA-N 1 0 507.521 3.852 50 0 KHAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000016010317 553550620 /nfs/dbraw/zinc/55/06/20/553550620.db2.gz XZTBIWMMJZCLSO-NLPMMIMISA-N 1 0 515.953 3.545 50 0 KHAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000016012788 553550953 /nfs/dbraw/zinc/55/09/53/553550953.db2.gz IRUSOTFJGQTYJZ-MSZDEVHKSA-N 1 0 507.468 3.579 50 0 KHAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000016012792 553550966 /nfs/dbraw/zinc/55/09/66/553550966.db2.gz IRUSOTFJGQTYJZ-AVJFOWIRSA-N 1 0 507.468 3.579 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000016044281 553553690 /nfs/dbraw/zinc/55/36/90/553553690.db2.gz PBFRBTXCGQETFG-UHFFFAOYSA-N 1 0 508.644 3.836 50 0 KHAARO COc1ccc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016080239 553555367 /nfs/dbraw/zinc/55/53/67/553555367.db2.gz UXHHABQESIZGKQ-UHFFFAOYSA-N 1 0 528.696 3.954 50 0 KHAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)sc2c(C)c1 ZINC000017010389 553586303 /nfs/dbraw/zinc/58/63/03/553586303.db2.gz KYPTZYHOAVSGJU-NRFANRHFSA-N 1 0 530.716 3.921 50 0 KHAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)sc2c(C)c1 ZINC000017010393 553586273 /nfs/dbraw/zinc/58/62/73/553586273.db2.gz KYPTZYHOAVSGJU-OAQYLSRUSA-N 1 0 530.716 3.921 50 0 KHAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc2c(C)c1 ZINC000017010433 553586319 /nfs/dbraw/zinc/58/63/19/553586319.db2.gz RWKOOUWIBJFVBS-NRFANRHFSA-N 1 0 530.716 3.921 50 0 KHAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)nc2c(C)c1 ZINC000017010437 553586247 /nfs/dbraw/zinc/58/62/47/553586247.db2.gz RWKOOUWIBJFVBS-OAQYLSRUSA-N 1 0 530.716 3.921 50 0 KHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000017014406 553586524 /nfs/dbraw/zinc/58/65/24/553586524.db2.gz KIPYSZPQMVMUOI-HOFKKMOUSA-N 1 0 527.021 3.572 50 0 KHAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1C ZINC000017122297 553588265 /nfs/dbraw/zinc/58/82/65/553588265.db2.gz XGGYRAPLIKHNNX-UHFFFAOYSA-N 1 0 516.689 3.533 50 0 KHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc2c1C ZINC000017122301 553588253 /nfs/dbraw/zinc/58/82/53/553588253.db2.gz RWQGRJCYLXIDJP-RTBURBONSA-N 1 0 530.716 3.919 50 0 KHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)nc2c1C ZINC000017122309 553588260 /nfs/dbraw/zinc/58/82/60/553588260.db2.gz RWQGRJCYLXIDJP-KDURUIRLSA-N 1 0 530.716 3.919 50 0 KHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c1C ZINC000017122314 553588150 /nfs/dbraw/zinc/58/81/50/553588150.db2.gz RWQGRJCYLXIDJP-OALUTQOASA-N 1 0 530.716 3.919 50 0 KHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1 ZINC000017245418 553591499 /nfs/dbraw/zinc/59/14/99/553591499.db2.gz LBJACZNQQSKRGM-GOSISDBHSA-N 1 0 516.689 3.934 50 0 KHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc2c1 ZINC000017245424 553591542 /nfs/dbraw/zinc/59/15/42/553591542.db2.gz LBJACZNQQSKRGM-SFHVURJKSA-N 1 0 516.689 3.934 50 0 KHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c1 ZINC000017246039 553591504 /nfs/dbraw/zinc/59/15/04/553591504.db2.gz TZZOQFLQPHLFME-UHFFFAOYSA-N 1 0 516.689 3.934 50 0 KHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000017246043 553591473 /nfs/dbraw/zinc/59/14/73/553591473.db2.gz PNBJLSIWCJMJIJ-UHFFFAOYSA-N 1 0 516.689 3.934 50 0 KHAARO COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(CC[NH+]4CCCCC4)nn32)cc1OC ZINC000017337706 553593681 /nfs/dbraw/zinc/59/36/81/553593681.db2.gz AXOUGHZHIFQDCL-UHFFFAOYSA-N 1 0 534.686 3.774 50 0 KHAARO CCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000017357032 553594349 /nfs/dbraw/zinc/59/43/49/553594349.db2.gz UBUJCSMKBWEITQ-UHFFFAOYSA-N 1 0 550.725 3.764 50 0 KHAARO CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000017357034 553594311 /nfs/dbraw/zinc/59/43/11/553594311.db2.gz XHCLGPOEADWLEO-JOCHJYFZSA-N 1 0 550.725 3.620 50 0 KHAARO CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000017357037 553594211 /nfs/dbraw/zinc/59/42/11/553594211.db2.gz XHCLGPOEADWLEO-QFIPXVFZSA-N 1 0 550.725 3.620 50 0 KHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357214 553594534 /nfs/dbraw/zinc/59/45/34/553594534.db2.gz BHMQCSCEUKQQLB-HSZRJFAPSA-N 1 0 544.718 3.717 50 0 KHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357216 553594513 /nfs/dbraw/zinc/59/45/13/553594513.db2.gz BHMQCSCEUKQQLB-QHCPKHFHSA-N 1 0 544.718 3.717 50 0 KHAARO CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1 ZINC000017434269 553596131 /nfs/dbraw/zinc/59/61/31/553596131.db2.gz VCATVUYXJVDITA-UHFFFAOYSA-N 1 0 567.690 3.535 50 0 KHAARO Cc1c(NS(=O)(=O)c2cc(NC(=O)CC[N@H+]3CCC[C@@H](C)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017527598 553597035 /nfs/dbraw/zinc/59/70/35/553597035.db2.gz SZIPYDNCIMKNCL-GOSISDBHSA-N 1 0 546.093 3.999 50 0 KHAARO Cc1c(NS(=O)(=O)c2cc(NC(=O)CC[N@H+]3CCC[C@H](C)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017527601 553597090 /nfs/dbraw/zinc/59/70/90/553597090.db2.gz SZIPYDNCIMKNCL-SFHVURJKSA-N 1 0 546.093 3.999 50 0 KHAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4ccc(F)cc4n(Cc4ccccn4)c3=O)CC2)C1 ZINC000019229375 553612930 /nfs/dbraw/zinc/61/29/30/553612930.db2.gz XBJURDWULCKPGY-JOCHJYFZSA-N 1 0 506.622 3.823 50 0 KHAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4ccc(F)cc4n(Cc4ccccn4)c3=O)CC2)C1 ZINC000019229376 553613178 /nfs/dbraw/zinc/61/31/78/553613178.db2.gz XBJURDWULCKPGY-QFIPXVFZSA-N 1 0 506.622 3.823 50 0 KHAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)n(CN1CC[NH+](CC)CC1)c(=S)n2-c1ccccc1OC ZINC000019372044 553614634 /nfs/dbraw/zinc/61/46/34/553614634.db2.gz XNOGVSNHQJRHIJ-UHFFFAOYSA-N 1 0 517.721 3.796 50 0 KHAARO O=C(C1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019745528 553615767 /nfs/dbraw/zinc/61/57/67/553615767.db2.gz RIDKBHBAOQHIKS-UHFFFAOYSA-N 1 0 521.687 3.633 50 0 KHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019790686 553616279 /nfs/dbraw/zinc/61/62/79/553616279.db2.gz NSODTIBRLQHEEU-YNNKJJCMSA-N 1 0 521.702 3.892 50 0 KHAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000019794892 553616788 /nfs/dbraw/zinc/61/67/88/553616788.db2.gz YKMYRAXRCXQAPE-YFNKSVMNSA-N 1 0 507.675 3.646 50 0 KHAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000019794894 553616778 /nfs/dbraw/zinc/61/67/78/553616778.db2.gz YKMYRAXRCXQAPE-NHTMILBNSA-N 1 0 507.675 3.646 50 0 KHAARO Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000019899224 553632525 /nfs/dbraw/zinc/63/25/25/553632525.db2.gz YQDMVQNZOHRSHF-UHFFFAOYSA-N 1 0 509.614 3.876 50 0 KHAARO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)cc(OC)c1OC ZINC000019956984 1066857880 /nfs/dbraw/zinc/85/78/80/1066857880.db2.gz ZCUSSSVXNGETAT-AHWVRZQESA-N 1 0 521.633 3.943 50 0 KHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104914 553689140 /nfs/dbraw/zinc/68/91/40/553689140.db2.gz DXDHNKWCHYYXIE-XZWHSSHBSA-N 1 0 508.666 3.848 50 0 KHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104916 553689123 /nfs/dbraw/zinc/68/91/23/553689123.db2.gz DXDHNKWCHYYXIE-LOYHVIPDSA-N 1 0 508.666 3.848 50 0 KHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020104918 553689128 /nfs/dbraw/zinc/68/91/28/553689128.db2.gz DXDHNKWCHYYXIE-KYJUHHDHSA-N 1 0 508.666 3.848 50 0 KHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020104920 553689134 /nfs/dbraw/zinc/68/91/34/553689134.db2.gz DXDHNKWCHYYXIE-IHLOFXLRSA-N 1 0 508.666 3.848 50 0 KHAARO O=c1c2cc(NC(=S)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2nc2n1CCCCC2 ZINC000020105245 553689448 /nfs/dbraw/zinc/68/94/48/553689448.db2.gz NJNKNTRCYSEJHW-UHFFFAOYSA-N 1 0 508.667 3.761 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000020107968 553691158 /nfs/dbraw/zinc/69/11/58/553691158.db2.gz IASMEFRRVWWREB-SANMLTNESA-N 1 0 537.730 3.834 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000020107970 553691183 /nfs/dbraw/zinc/69/11/83/553691183.db2.gz IASMEFRRVWWREB-AREMUKBSSA-N 1 0 537.730 3.834 50 0 KHAARO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112022 553694241 /nfs/dbraw/zinc/69/42/41/553694241.db2.gz CJAGOLUMLQZUOM-IABYTQIASA-N 1 0 532.641 3.757 50 0 biogenic KHAARO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112025 553694294 /nfs/dbraw/zinc/69/42/94/553694294.db2.gz CJAGOLUMLQZUOM-ZQLNOWDWSA-N 1 0 532.641 3.757 50 0 biogenic KHAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC1(Cc3ccc(OC(C)C)cc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020112199 553694267 /nfs/dbraw/zinc/69/42/67/553694267.db2.gz LTYZWHGFWFFQAO-IBGZPJMESA-N 1 0 523.630 3.690 50 0 biogenic KHAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112617 553694551 /nfs/dbraw/zinc/69/45/51/553694551.db2.gz KLNRIQSRMYYDRZ-WUFINQPMSA-N 1 0 539.673 3.870 50 0 KHAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112620 553694464 /nfs/dbraw/zinc/69/44/64/553694464.db2.gz KLNRIQSRMYYDRZ-NSOVKSMOSA-N 1 0 539.673 3.870 50 0 KHAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112623 553694809 /nfs/dbraw/zinc/69/48/09/553694809.db2.gz KLNRIQSRMYYDRZ-VSGBNLITSA-N 1 0 539.673 3.870 50 0 KHAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112626 553694838 /nfs/dbraw/zinc/69/48/38/553694838.db2.gz KLNRIQSRMYYDRZ-IZLXSDGUSA-N 1 0 539.673 3.870 50 0 KHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112629 553694846 /nfs/dbraw/zinc/69/48/46/553694846.db2.gz NICBOWWTHZBNQJ-RRPNLBNLSA-N 1 0 527.662 3.870 50 0 KHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112631 553694784 /nfs/dbraw/zinc/69/47/84/553694784.db2.gz NICBOWWTHZBNQJ-KAYWLYCHSA-N 1 0 527.662 3.870 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112633 553694858 /nfs/dbraw/zinc/69/48/58/553694858.db2.gz UVOVETBHQAIKEU-RRPNLBNLSA-N 1 0 527.662 3.870 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112635 553694803 /nfs/dbraw/zinc/69/48/03/553694803.db2.gz UVOVETBHQAIKEU-KAYWLYCHSA-N 1 0 527.662 3.870 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020112638 553694801 /nfs/dbraw/zinc/69/48/01/553694801.db2.gz UVOVETBHQAIKEU-SVBPBHIXSA-N 1 0 527.662 3.870 50 0 KHAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020112640 553694862 /nfs/dbraw/zinc/69/48/62/553694862.db2.gz UVOVETBHQAIKEU-SXOMAYOGSA-N 1 0 527.662 3.870 50 0 KHAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114918 553696001 /nfs/dbraw/zinc/69/60/01/553696001.db2.gz RQTOZHQBZSDUFM-DEOSSOPVSA-N 1 0 510.660 3.767 50 0 KHAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114920 553696051 /nfs/dbraw/zinc/69/60/51/553696051.db2.gz RQTOZHQBZSDUFM-XMMPIXPASA-N 1 0 510.660 3.767 50 0 KHAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020115140 553696663 /nfs/dbraw/zinc/69/66/63/553696663.db2.gz PMGLATGQPYFEGZ-QHCPKHFHSA-N 1 0 514.095 3.617 50 0 KHAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020115142 553696559 /nfs/dbraw/zinc/69/65/59/553696559.db2.gz PMGLATGQPYFEGZ-HSZRJFAPSA-N 1 0 514.095 3.617 50 0 KHAARO C[NH+]1CCN(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115194 553696855 /nfs/dbraw/zinc/69/68/55/553696855.db2.gz TVWPEWUUMJDDND-NRFANRHFSA-N 1 0 520.486 3.572 50 0 KHAARO C[NH+]1CCN(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115196 553696877 /nfs/dbraw/zinc/69/68/77/553696877.db2.gz TVWPEWUUMJDDND-OAQYLSRUSA-N 1 0 520.486 3.572 50 0 KHAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115207 553696927 /nfs/dbraw/zinc/69/69/27/553696927.db2.gz OGCGAXYWOXRILW-DEOSSOPVSA-N 1 0 510.660 3.911 50 0 KHAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115209 553696911 /nfs/dbraw/zinc/69/69/11/553696911.db2.gz OGCGAXYWOXRILW-XMMPIXPASA-N 1 0 510.660 3.911 50 0 KHAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115222 553696897 /nfs/dbraw/zinc/69/68/97/553696897.db2.gz YQSKMUDHFVBICG-DEOSSOPVSA-N 1 0 510.660 3.911 50 0 KHAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020115224 553696833 /nfs/dbraw/zinc/69/68/33/553696833.db2.gz YQSKMUDHFVBICG-XMMPIXPASA-N 1 0 510.660 3.911 50 0 KHAARO CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccs3)c2)CC1 ZINC000020119149 1066291126 /nfs/dbraw/zinc/29/11/26/1066291126.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 1 0 518.727 3.960 50 0 KHAARO CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccs3)c2)CC1 ZINC000020119152 1066291292 /nfs/dbraw/zinc/29/12/92/1066291292.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 1 0 518.727 3.960 50 0 KHAARO COc1cc(NC(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc(OC)c1OC ZINC000020136073 553593786 /nfs/dbraw/zinc/59/37/86/553593786.db2.gz OIOZPGZFAJLYFU-UHFFFAOYSA-N 1 0 521.618 3.678 50 0 KHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc12 ZINC000020136104 553593944 /nfs/dbraw/zinc/59/39/44/553593944.db2.gz QUUNQUMHBHXHCE-UHFFFAOYSA-N 1 0 518.637 3.502 50 0 KHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc5c(c4)OCCO5)ccc3n2)CC1 ZINC000020136353 553593881 /nfs/dbraw/zinc/59/38/81/553593881.db2.gz NCLGRTMXQSSWPR-UHFFFAOYSA-N 1 0 503.603 3.814 50 0 KHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)N4CCN(c5ccccc5F)CC4)ccc3n2)CC1 ZINC000020136364 553593986 /nfs/dbraw/zinc/59/39/86/553593986.db2.gz UNUWHQAHECGYBT-UHFFFAOYSA-N 1 0 532.664 3.892 50 0 KHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)N4CCN(c5ccccc5)CC4)ccc3n2)CC1 ZINC000020136382 553593980 /nfs/dbraw/zinc/59/39/80/553593980.db2.gz DHIINGHRFJVSJJ-UHFFFAOYSA-N 1 0 514.674 3.753 50 0 KHAARO O=C(CCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020152721 553596616 /nfs/dbraw/zinc/59/66/16/553596616.db2.gz XDTVYGLEAGGOOE-UHFFFAOYSA-N 1 0 514.601 3.522 50 0 KHAARO O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020152927 553596840 /nfs/dbraw/zinc/59/68/40/553596840.db2.gz UWBQKAHFVPBGPE-UHFFFAOYSA-N 1 0 528.628 3.912 50 0 KHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCN4CCN(c5ccccc5F)CC4)ccc3n2)CC1 ZINC000020153667 553598299 /nfs/dbraw/zinc/59/82/99/553598299.db2.gz YUFKAZLTAUPFSU-UHFFFAOYSA-N 1 0 535.737 3.933 50 0 KHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCCN3CCN(c4ccccc4F)CC3)cc12 ZINC000020153859 553598659 /nfs/dbraw/zinc/59/86/59/553598659.db2.gz ALOSKXJVICKPQS-UHFFFAOYSA-N 1 0 535.737 3.933 50 0 KHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCN3CCN(c4ccccc4F)CC3)cc12 ZINC000020153876 553598596 /nfs/dbraw/zinc/59/85/96/553598596.db2.gz GBUSIYPEABEWNU-UHFFFAOYSA-N 1 0 521.710 3.543 50 0 KHAARO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020168020 553600869 /nfs/dbraw/zinc/60/08/69/553600869.db2.gz QAXBWAZAGYRWPV-UHFFFAOYSA-N 1 0 520.655 3.678 50 0 KHAARO CCOc1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)NC2=O)cc1 ZINC000020176773 553602431 /nfs/dbraw/zinc/60/24/31/553602431.db2.gz VGIQJSZXADKLQP-SANMLTNESA-N 1 0 511.626 3.676 50 0 KHAARO CCOc1ccc(NC(=O)C[C@H]2N=C(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)NC2=O)cc1 ZINC000020176775 553602406 /nfs/dbraw/zinc/60/24/06/553602406.db2.gz VGIQJSZXADKLQP-AREMUKBSSA-N 1 0 511.626 3.676 50 0 KHAARO CCCCCn1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235356 553621587 /nfs/dbraw/zinc/62/15/87/553621587.db2.gz PNDGTAOLPHYLTJ-UHFFFAOYSA-N 1 0 514.674 3.531 50 0 KHAARO CCCCCCn1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235391 553621668 /nfs/dbraw/zinc/62/16/68/553621668.db2.gz MXEVATNCXTYQKT-UHFFFAOYSA-N 1 0 528.701 3.921 50 0 KHAARO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000020239500 553625350 /nfs/dbraw/zinc/62/53/50/553625350.db2.gz DEDXPLDQFHLLCW-CMDGGOBGSA-N 1 0 506.694 3.608 50 0 KHAARO COc1ccc(-c2nc(CSCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c(C)o2)cc1OC ZINC000020241128 553626823 /nfs/dbraw/zinc/62/68/23/553626823.db2.gz GIPZLVWTKUHUBR-UHFFFAOYSA-N 1 0 524.687 3.834 50 0 KHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000020255227 553629385 /nfs/dbraw/zinc/62/93/85/553629385.db2.gz XKUSVROCZRHWMS-AHKZPQOWSA-N 1 0 505.707 3.896 50 0 KHAARO Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1C(=O)OC(C)C ZINC000020294987 553635593 /nfs/dbraw/zinc/63/55/93/553635593.db2.gz FSVQIDKRBZNHCL-UHFFFAOYSA-N 1 0 508.644 3.630 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(C(C)C)cc1 ZINC000020323175 553638190 /nfs/dbraw/zinc/63/81/90/553638190.db2.gz XWVOBVZMVGCNQZ-UHFFFAOYSA-N 1 0 511.692 3.604 50 0 KHAARO Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)cc2s1 ZINC000020326327 553638819 /nfs/dbraw/zinc/63/88/19/553638819.db2.gz WIEQGUJGVOOPCI-XMMPIXPASA-N 1 0 500.690 3.688 50 0 KHAARO Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(C)C)cc2s1 ZINC000020326333 553638866 /nfs/dbraw/zinc/63/88/66/553638866.db2.gz WIEQGUJGVOOPCI-DEOSSOPVSA-N 1 0 500.690 3.688 50 0 KHAARO C=C1C(N2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389479 553644722 /nfs/dbraw/zinc/64/47/22/553644722.db2.gz UOSYDZOUWZSGRX-LJQANCHMSA-N 1 0 500.709 3.727 50 0 KHAARO C=C1C(N2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389486 553644702 /nfs/dbraw/zinc/64/47/02/553644702.db2.gz UOSYDZOUWZSGRX-IBGZPJMESA-N 1 0 500.709 3.727 50 0 KHAARO C=C1C(N2CCC(C(=O)NCC[N@@H+](C)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389498 553644733 /nfs/dbraw/zinc/64/47/33/553644733.db2.gz UHVXYINVAZTGPP-UHFFFAOYSA-N 1 0 500.709 3.869 50 0 KHAARO Cc1cccc(Cn2c3c(nc2N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000020392160 553645357 /nfs/dbraw/zinc/64/53/57/553645357.db2.gz DVKXTOUVCLSORP-UHFFFAOYSA-N 1 0 520.637 3.692 50 0 KHAARO CN1CCN(c2ccc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2F)CC1 ZINC000020405852 553646000 /nfs/dbraw/zinc/64/60/00/553646000.db2.gz DSQUVXYULJECCQ-UHFFFAOYSA-N 1 0 501.650 3.923 50 0 KHAARO C[NH+]1CCN(CCNC(=O)c2ccc(Cn3c(SCc4ccccc4)nc4cccnc43)cc2)CC1 ZINC000020413159 553647420 /nfs/dbraw/zinc/64/74/20/553647420.db2.gz AZIOPXVUHPTQES-UHFFFAOYSA-N 1 0 500.672 3.749 50 0 KHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2ccccc2)C1 ZINC000020453694 1066858323 /nfs/dbraw/zinc/85/83/23/1066858323.db2.gz HBTKZJKFVRZQFD-AHWVRZQESA-N 1 0 521.633 3.943 50 0 KHAARO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000020455120 553652520 /nfs/dbraw/zinc/65/25/20/553652520.db2.gz QBEHMHLYRSTYIR-LBNVMWSVSA-N 1 0 511.110 3.992 50 0 KHAARO COc1ccc(-n2cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3c2=O)cc1 ZINC000020508875 553668442 /nfs/dbraw/zinc/66/84/42/553668442.db2.gz AALBITZLPSMOGR-UHFFFAOYSA-N 1 0 510.638 3.937 50 0 KHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN(c4nc(-c5ccc(OC)cc5)no4)C3)cc2)CC1 ZINC000020530672 553670031 /nfs/dbraw/zinc/67/00/31/553670031.db2.gz HRQSDQMHFSKYCJ-HSZRJFAPSA-N 1 0 504.635 3.738 50 0 KHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCN(c4nc(-c5ccc(OC)cc5)no4)C3)cc2)CC1 ZINC000020530674 553670020 /nfs/dbraw/zinc/67/00/20/553670020.db2.gz HRQSDQMHFSKYCJ-QHCPKHFHSA-N 1 0 504.635 3.738 50 0 KHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000020556963 553671361 /nfs/dbraw/zinc/67/13/61/553671361.db2.gz PBTQACJGJMQXHI-HSZRJFAPSA-N 1 0 516.694 3.545 50 0 KHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000020556965 553671309 /nfs/dbraw/zinc/67/13/09/553671309.db2.gz PBTQACJGJMQXHI-QHCPKHFHSA-N 1 0 516.694 3.545 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000020572416 553674500 /nfs/dbraw/zinc/67/45/00/553674500.db2.gz NCWMIZJSSSWXSP-CPBHOCDRSA-N 1 0 504.546 3.538 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000020572418 553674565 /nfs/dbraw/zinc/67/45/65/553674565.db2.gz NCWMIZJSSSWXSP-YRIIQKNPSA-N 1 0 504.546 3.538 50 0 KHAARO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575569 553675462 /nfs/dbraw/zinc/67/54/62/553675462.db2.gz ILRCSXWXFYOUBX-UHFFFAOYSA-N 1 0 531.101 3.617 50 0 KHAARO Cc1ccc(-n2ncc(C(=O)NCCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020575951 553675571 /nfs/dbraw/zinc/67/55/71/553675571.db2.gz PWXBPVWMSOYYIS-UHFFFAOYSA-N 1 0 524.710 3.663 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020576061 553675679 /nfs/dbraw/zinc/67/56/79/553675679.db2.gz CINQNOBVIMAJOX-UHFFFAOYSA-N 1 0 524.710 3.744 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020576128 553676062 /nfs/dbraw/zinc/67/60/62/553676062.db2.gz KGNBRBRZZYQENL-UHFFFAOYSA-N 1 0 542.700 3.883 50 0 KHAARO Cc1cccc(C)c1-n1ncc(C(=O)NCCN2CC[NH+](C)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020576145 553676053 /nfs/dbraw/zinc/67/60/53/553676053.db2.gz HOEMWJGPCUIGAD-UHFFFAOYSA-N 1 0 524.710 3.581 50 0 KHAARO Cc1ccc(-n2ncc(C(=O)NCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000020576173 553676092 /nfs/dbraw/zinc/67/60/92/553676092.db2.gz HQKCVRXIOHAWTJ-UHFFFAOYSA-N 1 0 524.710 3.581 50 0 KHAARO c1cc(CN2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020576278 553676074 /nfs/dbraw/zinc/67/60/74/553676074.db2.gz CYNXXVFJKSNBDI-UHFFFAOYSA-N 1 0 513.715 3.969 50 0 KHAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21)CC(C)C ZINC000020683419 553688542 /nfs/dbraw/zinc/68/85/42/553688542.db2.gz GMRHFBCCTULVFK-NRFANRHFSA-N 1 0 518.724 3.683 50 0 KHAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21 ZINC000020686781 553689260 /nfs/dbraw/zinc/68/92/60/553689260.db2.gz CYUFISNLNNFUOZ-FQEVSTJZSA-N 1 0 504.697 3.723 50 0 KHAARO CCCC[NH+](CCCC)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21 ZINC000020686786 553689217 /nfs/dbraw/zinc/68/92/17/553689217.db2.gz CYUFISNLNNFUOZ-HXUWFJFHSA-N 1 0 504.697 3.723 50 0 KHAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)CC(C)C ZINC000020686791 553689349 /nfs/dbraw/zinc/68/93/49/553689349.db2.gz VQNWPFULHIAQOR-NRFANRHFSA-N 1 0 518.724 3.825 50 0 KHAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21)CC(C)C ZINC000020686796 553689364 /nfs/dbraw/zinc/68/93/64/553689364.db2.gz VQNWPFULHIAQOR-OAQYLSRUSA-N 1 0 518.724 3.825 50 0 KHAARO O=C(CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020733622 553692952 /nfs/dbraw/zinc/69/29/52/553692952.db2.gz NDNYRPFRISKYPJ-VFCFBJKWSA-N 1 0 514.601 3.526 50 0 KHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020737942 553694805 /nfs/dbraw/zinc/69/48/05/553694805.db2.gz FBJSNFDQMQOZRK-DHUJRADRSA-N 1 0 500.709 3.664 50 0 KHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020737947 553694885 /nfs/dbraw/zinc/69/48/85/553694885.db2.gz FBJSNFDQMQOZRK-PGUFJCEWSA-N 1 0 500.709 3.664 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757394 553695236 /nfs/dbraw/zinc/69/52/36/553695236.db2.gz DDOSADLCODRFEQ-QGZVFWFLSA-N 1 0 521.565 3.638 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757404 553695252 /nfs/dbraw/zinc/69/52/52/553695252.db2.gz DDOSADLCODRFEQ-KRWDZBQOSA-N 1 0 521.565 3.638 50 0 KHAARO CN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc4ccccc43)C2)CC1 ZINC000020908260 553703560 /nfs/dbraw/zinc/70/35/60/553703560.db2.gz OXEJVYGYPYXJLM-IAPPQJPRSA-N 1 0 514.670 3.554 50 0 KHAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000020908579 553703509 /nfs/dbraw/zinc/70/35/09/553703509.db2.gz NXSQGCJZQSWSIT-LMSSTIIKSA-N 1 0 525.137 3.987 50 0 KHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2OC)CN1CC(c1ccccc1)c1ccccc1 ZINC000020913330 1066858010 /nfs/dbraw/zinc/85/80/10/1066858010.db2.gz OWKJPURJQTUDDR-AHWVRZQESA-N 1 0 503.643 3.823 50 0 KHAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)c(OC)c1OC ZINC000020996305 1066858069 /nfs/dbraw/zinc/85/80/69/1066858069.db2.gz HHXGACAUHKDKFP-AHWVRZQESA-N 1 0 521.633 3.943 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000021146220 553707670 /nfs/dbraw/zinc/70/76/70/553707670.db2.gz PGTQAPKTHDTIAA-UEIZDATPSA-N 1 0 514.420 3.825 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000021146223 553707693 /nfs/dbraw/zinc/70/76/93/553707693.db2.gz PGTQAPKTHDTIAA-TTXZLZEXSA-N 1 0 514.420 3.825 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000021162003 553708311 /nfs/dbraw/zinc/70/83/11/553708311.db2.gz CQDMCAFTSADXCI-UHFFFAOYSA-N 1 0 506.670 3.584 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000021162306 553708635 /nfs/dbraw/zinc/70/86/35/553708635.db2.gz CGFZTYGGNNFIRA-UHFFFAOYSA-N 1 0 506.670 3.584 50 0 KHAARO CCC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000021162367 553708644 /nfs/dbraw/zinc/70/86/44/553708644.db2.gz NMVKDQCZEPXYDO-UHFFFAOYSA-N 1 0 520.697 3.974 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(C)c3)CC2)CC1 ZINC000021162656 553708625 /nfs/dbraw/zinc/70/86/25/553708625.db2.gz UDKZUCDIKUDGIW-UHFFFAOYSA-N 1 0 502.707 3.753 50 0 KHAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(C)cc3)CC2)CC1 ZINC000021162821 553708890 /nfs/dbraw/zinc/70/88/90/553708890.db2.gz AXTHUCTZKVLOQJ-UHFFFAOYSA-N 1 0 502.707 3.753 50 0 KHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000021729672 553716567 /nfs/dbraw/zinc/71/65/67/553716567.db2.gz BBSVGVKFZUXZHE-UHFFFAOYSA-N 1 0 512.651 3.725 50 0 KHAARO C[NH+]1CCN(CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)CC1 ZINC000022034846 553723326 /nfs/dbraw/zinc/72/33/26/553723326.db2.gz RFSYBLVZOVDWPW-HAVVHWLPSA-N 1 0 529.504 3.683 50 0 KHAARO COc1cc(C(=O)OCCCN2CCC[N@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000022454221 553742696 /nfs/dbraw/zinc/74/26/96/553742696.db2.gz QVZCXCJXTMIDME-UHFFFAOYSA-N 1 0 604.697 3.540 50 0 world KHAARO COc1ccc(CCN2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1OC ZINC000022782605 553749948 /nfs/dbraw/zinc/74/99/48/553749948.db2.gz ZUBYGKHFFFCHHL-SANMLTNESA-N 1 0 513.638 3.781 50 0 KHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022790355 553750281 /nfs/dbraw/zinc/75/02/81/553750281.db2.gz NSODTIBRLQHEEU-ZYWWQZICSA-N 1 0 521.702 3.892 50 0 KHAARO O=C1CCCN1c1ccc(CN2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000022797034 553751107 /nfs/dbraw/zinc/75/11/07/553751107.db2.gz JALSWMOMPNKHAI-NDEPHWFRSA-N 1 0 522.649 3.848 50 0 KHAARO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CCN(Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000022911854 1066200297 /nfs/dbraw/zinc/20/02/97/1066200297.db2.gz YWAVWYIEVIVIFG-UHFFFAOYSA-N 1 0 536.698 3.640 50 0 KHAARO O=C([C@@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022917852 1066200384 /nfs/dbraw/zinc/20/03/84/1066200384.db2.gz XJNPLPCFUMVAAZ-PMERELPUSA-N 1 0 512.654 3.773 50 0 KHAARO O=C([C@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022917860 1066200430 /nfs/dbraw/zinc/20/04/30/1066200430.db2.gz XJNPLPCFUMVAAZ-SSEXGKCCSA-N 1 0 512.654 3.773 50 0 KHAARO O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022920250 553767142 /nfs/dbraw/zinc/76/71/42/553767142.db2.gz UKZLASJXARVGJN-UHFFFAOYSA-N 1 0 526.672 3.823 50 0 KHAARO COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022924813 553767070 /nfs/dbraw/zinc/76/70/70/553767070.db2.gz NQGVRGCQNILPPK-UHFFFAOYSA-N 1 0 501.583 3.606 50 0 KHAARO CCN(CC)S(=O)(=O)c1cccc(-c2nn(CN3CC[NH+](CC)CC3)c(=S)n2-c2ccccc2)c1 ZINC000022926026 553767442 /nfs/dbraw/zinc/76/74/42/553767442.db2.gz UZRQXDZOKOUCCV-UHFFFAOYSA-N 1 0 514.721 3.696 50 0 KHAARO O=C(C[NH2+]CCN1CCOCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000022939038 553768114 /nfs/dbraw/zinc/76/81/14/553768114.db2.gz DPNFGNZOEKSUFH-UHFFFAOYSA-N 1 0 521.481 3.502 50 0 KHAARO CN(C)S(=O)(=O)c1cc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000022940550 553768530 /nfs/dbraw/zinc/76/85/30/553768530.db2.gz MVQHZEWEPDHNJF-UHFFFAOYSA-N 1 0 527.090 3.936 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022952242 553768838 /nfs/dbraw/zinc/76/88/38/553768838.db2.gz LEHKFHXDEHTMLG-MHZLTWQESA-N 1 0 551.757 3.830 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022952245 553768719 /nfs/dbraw/zinc/76/87/19/553768719.db2.gz LEHKFHXDEHTMLG-HHHXNRCGSA-N 1 0 551.757 3.830 50 0 KHAARO CCN1CC[NH+](C2CCN(C(=O)c3ccc(-c4ccccc4OC)nc3N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000023095261 553770744 /nfs/dbraw/zinc/77/07/44/553770744.db2.gz MVRMXOCBASIKPJ-ZRZAMGCNSA-N 1 0 521.706 3.613 50 0 KHAARO COC(=O)c1cc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000023253881 553771585 /nfs/dbraw/zinc/77/15/85/553771585.db2.gz NTQWCCIKTGUPIB-UHFFFAOYSA-N 1 0 501.583 3.606 50 0 KHAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000023339221 553774380 /nfs/dbraw/zinc/77/43/80/553774380.db2.gz RCMLFELKJOUEGH-RUZDIDTESA-N 1 0 505.590 3.575 50 0 KHAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000023339223 553774434 /nfs/dbraw/zinc/77/44/34/553774434.db2.gz RCMLFELKJOUEGH-VWLOTQADSA-N 1 0 505.590 3.575 50 0 KHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2OC)CN1CC(c1ccccc1)c1ccccc1 ZINC000023358949 1066219967 /nfs/dbraw/zinc/21/99/67/1066219967.db2.gz OVGJWAJBLHQZRP-AHWVRZQESA-N 1 0 503.643 3.823 50 0 KHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CN1CC(c1ccccc1)c1ccccc1 ZINC000023359540 1066219400 /nfs/dbraw/zinc/21/94/00/1066219400.db2.gz MFLGDVYTPDGGDA-AHWVRZQESA-N 1 0 503.643 3.823 50 0 KHAARO CCOC(=O)[C@@H]1CCCN(c2nc(-c3cccs3)ccc2C(=O)N2CCC([NH+]3CCN(CC)CC3)CC2)C1 ZINC000023360669 553774477 /nfs/dbraw/zinc/77/44/77/553774477.db2.gz GVFAEQQUZHXDPJ-JOCHJYFZSA-N 1 0 539.746 3.832 50 0 KHAARO CCOC(=O)[C@H]1CCCN(c2nc(-c3cccs3)ccc2C(=O)N2CCC([NH+]3CCN(CC)CC3)CC2)C1 ZINC000023360672 553774406 /nfs/dbraw/zinc/77/44/06/553774406.db2.gz GVFAEQQUZHXDPJ-QFIPXVFZSA-N 1 0 539.746 3.832 50 0 KHAARO CC(C)N1C[C@@H]([NH2+]C2Cc3ccccc3C2)C[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023361488 1066220071 /nfs/dbraw/zinc/22/00/71/1066220071.db2.gz OZXJTVKKUJACOX-AHWVRZQESA-N 1 0 500.609 3.962 50 0 KHAARO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)cc2c1OCO2 ZINC000023362837 1066221690 /nfs/dbraw/zinc/22/16/90/1066221690.db2.gz FASHPJNHTKPDGP-ZCYQVOJMSA-N 1 0 505.590 3.655 50 0 KHAARO C[NH+]1CCN(CCOc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000024811973 553792520 /nfs/dbraw/zinc/79/25/20/553792520.db2.gz OUKYUETWWIPKQR-UHFFFAOYSA-N 1 0 542.036 3.940 50 0 investigational KHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](CCO)C[C@@H]12 ZINC000025184827 553806054 /nfs/dbraw/zinc/80/60/54/553806054.db2.gz WYIVSGKTNNUPOE-GGAORHGYSA-N 1 0 503.828 3.551 50 0 KHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](CCO)C[C@@H]12 ZINC000025184832 553806041 /nfs/dbraw/zinc/80/60/41/553806041.db2.gz WYIVSGKTNNUPOE-FYYLOGMGSA-N 1 0 503.828 3.551 50 0 KHAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000025184999 553806011 /nfs/dbraw/zinc/80/60/11/553806011.db2.gz ZXKWAJAZDIDWSO-RCZVLFRGSA-N 1 0 511.420 3.711 50 0 KHAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000025185006 553806006 /nfs/dbraw/zinc/80/60/06/553806006.db2.gz ZXKWAJAZDIDWSO-RDGATRHJSA-N 1 0 511.420 3.711 50 0 KHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000025397526 553808382 /nfs/dbraw/zinc/80/83/82/553808382.db2.gz KTQMOAFYOUHWPJ-WMZHIEFXSA-N 1 0 521.108 3.674 50 0 KHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000025397531 553808309 /nfs/dbraw/zinc/80/83/09/553808309.db2.gz KTQMOAFYOUHWPJ-CVDCTZTESA-N 1 0 521.108 3.674 50 0 KHAARO COc1cc(COC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000026781436 553821300 /nfs/dbraw/zinc/82/13/00/553821300.db2.gz BDBSWFBKNFJUAK-SANMLTNESA-N 1 0 506.643 3.997 50 0 KHAARO COc1cc(COC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000026781438 553821329 /nfs/dbraw/zinc/82/13/29/553821329.db2.gz BDBSWFBKNFJUAK-AREMUKBSSA-N 1 0 506.643 3.997 50 0 KHAARO COc1cc(C(=O)Nc2ccccc2-c2cn3c(CN4CC[NH2+]CC4)csc3n2)cc(OC)c1OC ZINC000029043683 553844349 /nfs/dbraw/zinc/84/43/49/553844349.db2.gz SBEWVVLMFLTQFE-UHFFFAOYSA-N 1 0 507.616 3.746 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000029747442 553847365 /nfs/dbraw/zinc/84/73/65/553847365.db2.gz RCGKMMTVBOQEIS-QHCPKHFHSA-N 1 0 576.536 3.947 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000029747443 553847376 /nfs/dbraw/zinc/84/73/76/553847376.db2.gz RCGKMMTVBOQEIS-HSZRJFAPSA-N 1 0 576.536 3.947 50 0 KHAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)Cc1ccccc1 ZINC000029748661 553849729 /nfs/dbraw/zinc/84/97/29/553849729.db2.gz AAYVOKWNNKZKMG-UHFFFAOYSA-N 1 0 570.756 3.641 50 0 KHAARO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000029748748 553850199 /nfs/dbraw/zinc/85/01/99/553850199.db2.gz DQWQQZLGVYVIAK-ILBGXUMGSA-N 1 0 632.787 3.514 50 0 KHAARO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000029748751 553850158 /nfs/dbraw/zinc/85/01/58/553850158.db2.gz DQWQQZLGVYVIAK-NOZRDPDXSA-N 1 0 632.787 3.514 50 0 KHAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000029748783 553850092 /nfs/dbraw/zinc/85/00/92/553850092.db2.gz NARPJTZOCATBAH-HYSDEYDMSA-N 1 0 589.696 3.594 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749682 553852509 /nfs/dbraw/zinc/85/25/09/553852509.db2.gz VGXWCTGZPNHIEB-KOSHJBKYSA-N 1 0 577.545 3.791 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749684 553852476 /nfs/dbraw/zinc/85/24/76/553852476.db2.gz VGXWCTGZPNHIEB-UUOWRZLLSA-N 1 0 577.545 3.791 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752652 553854448 /nfs/dbraw/zinc/85/44/48/553854448.db2.gz AWPVMXRJGWPYNU-ROJLCIKYSA-N 1 0 568.718 3.865 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752654 553854402 /nfs/dbraw/zinc/85/44/02/553854402.db2.gz AWPVMXRJGWPYNU-AJQTZOPKSA-N 1 0 568.718 3.865 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752656 553854336 /nfs/dbraw/zinc/85/43/36/553854336.db2.gz AWPVMXRJGWPYNU-ZWXJPIIXSA-N 1 0 568.718 3.865 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752658 553854358 /nfs/dbraw/zinc/85/43/58/553854358.db2.gz AWPVMXRJGWPYNU-ACHIHNKUSA-N 1 0 568.718 3.865 50 0 KHAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@H]23)CC1 ZINC000029752715 553854264 /nfs/dbraw/zinc/85/42/64/553854264.db2.gz MTROIPHDJUTULN-XZWHSSHBSA-N 1 0 548.728 3.855 50 0 KHAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@H]23)CC1 ZINC000029752717 553854435 /nfs/dbraw/zinc/85/44/35/553854435.db2.gz MTROIPHDJUTULN-LOYHVIPDSA-N 1 0 548.728 3.855 50 0 KHAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@@H]23)CC1 ZINC000029752719 553854470 /nfs/dbraw/zinc/85/44/70/553854470.db2.gz MTROIPHDJUTULN-KYJUHHDHSA-N 1 0 548.728 3.855 50 0 KHAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@@H]23)CC1 ZINC000029752721 553854308 /nfs/dbraw/zinc/85/43/08/553854308.db2.gz MTROIPHDJUTULN-IHLOFXLRSA-N 1 0 548.728 3.855 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000029752827 553854860 /nfs/dbraw/zinc/85/48/60/553854860.db2.gz MHUXKJBOPIMKAD-WJOKGBTCSA-N 1 0 638.563 3.988 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000029752829 553854711 /nfs/dbraw/zinc/85/47/11/553854711.db2.gz MHUXKJBOPIMKAD-HKBQPEDESA-N 1 0 638.563 3.988 50 0 KHAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C1Cc2ccccc2C1 ZINC000032507858 1066499370 /nfs/dbraw/zinc/49/93/70/1066499370.db2.gz GSKAGTXCQLJJGW-VPUSJEBWSA-N 1 0 501.602 3.613 50 0 KHAARO Cc1oc(NC(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)c2c1c(C)n[nH]c2=O ZINC000032745267 553874692 /nfs/dbraw/zinc/87/46/92/553874692.db2.gz UHSILVIAVNTSDT-UHFFFAOYSA-N 1 0 524.647 3.692 50 0 KHAARO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c(O)c2)c1 ZINC000032914529 553876160 /nfs/dbraw/zinc/87/61/60/553876160.db2.gz YPBVOFICERJLLD-UHFFFAOYSA-N 1 0 518.614 3.604 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 ZINC000032958316 553881465 /nfs/dbraw/zinc/88/14/65/553881465.db2.gz NLJUKISBZSTSKD-UHFFFAOYSA-N 1 0 514.692 3.964 50 0 KHAARO COc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)[NH+]2CCCC2)cc1 ZINC000032960830 553882370 /nfs/dbraw/zinc/88/23/70/553882370.db2.gz AWJMFJOVGKOOBD-IRPSRAIASA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)[NH+]2CCCC2)cc1 ZINC000032960832 553882365 /nfs/dbraw/zinc/88/23/65/553882365.db2.gz AWJMFJOVGKOOBD-SVEHJYQDSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)[NH+]2CCCC2)cc1 ZINC000032960834 553882363 /nfs/dbraw/zinc/88/23/63/553882363.db2.gz AWJMFJOVGKOOBD-VAVYLYDRSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)[NH+]2CCCC2)cc1 ZINC000032960837 553882297 /nfs/dbraw/zinc/88/22/97/553882297.db2.gz AWJMFJOVGKOOBD-ABYGYWHVSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032960887 553882266 /nfs/dbraw/zinc/88/22/66/553882266.db2.gz TXFKAESMJAXIHW-IZZNHLLZSA-N 1 0 528.074 3.883 50 0 KHAARO COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032960889 553882356 /nfs/dbraw/zinc/88/23/56/553882356.db2.gz TXFKAESMJAXIHW-UIOOFZCWSA-N 1 0 528.074 3.883 50 0 KHAARO COc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032960891 553882348 /nfs/dbraw/zinc/88/23/48/553882348.db2.gz TXFKAESMJAXIHW-CLJLJLNGSA-N 1 0 528.074 3.883 50 0 KHAARO COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000032960893 553882324 /nfs/dbraw/zinc/88/23/24/553882324.db2.gz TXFKAESMJAXIHW-FTJBHMTQSA-N 1 0 528.074 3.883 50 0 KHAARO C[N@H+](CCCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)Cc1ccccc1 ZINC000032977774 553884407 /nfs/dbraw/zinc/88/44/07/553884407.db2.gz IJFFXQYKTOOTIQ-UHFFFAOYSA-N 1 0 505.018 3.503 50 0 KHAARO COc1ccccc1[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[NH+]1CCCC1 ZINC000032983089 553884795 /nfs/dbraw/zinc/88/47/95/553884795.db2.gz FITUZFBYVRHFCA-GIGWZHCTSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccccc1[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[NH+]1CCCC1 ZINC000032983090 553884714 /nfs/dbraw/zinc/88/47/14/553884714.db2.gz FITUZFBYVRHFCA-OUTSHDOLSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccccc1[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[NH+]1CCCC1 ZINC000032983091 553884703 /nfs/dbraw/zinc/88/47/03/553884703.db2.gz FITUZFBYVRHFCA-FUFSCUOVSA-N 1 0 500.599 3.569 50 0 KHAARO COc1ccccc1[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[NH+]1CCCC1 ZINC000032983092 553884773 /nfs/dbraw/zinc/88/47/73/553884773.db2.gz FITUZFBYVRHFCA-PWUYWRBVSA-N 1 0 500.599 3.569 50 0 KHAARO CC[N@H+](CCNC(=O)c1nc2c(=O)n(Cc3cccc(F)c3)c3cc(C)ccc3n2n1)Cc1ccccc1 ZINC000032984972 553885559 /nfs/dbraw/zinc/88/55/59/553885559.db2.gz SRLAHHMBAXAEPA-UHFFFAOYSA-N 1 0 512.589 3.792 50 0 KHAARO CCCCC1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000033000532 553888049 /nfs/dbraw/zinc/88/80/49/553888049.db2.gz VDRJQTRNJAOOKC-UHFFFAOYSA-N 1 0 520.740 3.785 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC(C(C)(C)C)CC2)CC1 ZINC000033000554 553888004 /nfs/dbraw/zinc/88/80/04/553888004.db2.gz LBOHMCGDJYBNSK-UHFFFAOYSA-N 1 0 520.740 3.640 50 0 KHAARO COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)s2)cc1OC ZINC000033032011 553891208 /nfs/dbraw/zinc/89/12/08/553891208.db2.gz DNMZCPPPPOFFLL-UHFFFAOYSA-N 1 0 525.631 3.602 50 0 KHAARO CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3nnc(COc4ccc(OC)c(OC)c4)s3)cc2)CC1 ZINC000033032014 553891727 /nfs/dbraw/zinc/89/17/27/553891727.db2.gz CHZQTIMKKGKGND-UHFFFAOYSA-N 1 0 525.631 3.554 50 0 KHAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033032989 553891764 /nfs/dbraw/zinc/89/17/64/553891764.db2.gz TWPAPMCVYVUKHD-UHFFFAOYSA-N 1 0 502.681 3.660 50 0 KHAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000033058824 553903855 /nfs/dbraw/zinc/90/38/55/553903855.db2.gz BRVMYEVKISBYBW-VAWYXSNFSA-N 1 0 514.692 3.855 50 0 KHAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000033058826 553903923 /nfs/dbraw/zinc/90/39/23/553903923.db2.gz SPVUVNJXHUULCC-CMDGGOBGSA-N 1 0 514.692 3.711 50 0 KHAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000033058938 553904248 /nfs/dbraw/zinc/90/42/48/553904248.db2.gz RXXZHPRWWZWFRM-BQYQJAHWSA-N 1 0 518.655 3.541 50 0 KHAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000033058939 553904275 /nfs/dbraw/zinc/90/42/75/553904275.db2.gz GNBKIJBVLLNNMN-CTDFXDFQSA-N 1 0 532.682 3.931 50 0 KHAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000033058940 553904259 /nfs/dbraw/zinc/90/42/59/553904259.db2.gz GNBKIJBVLLNNMN-CFGKVWFZSA-N 1 0 532.682 3.931 50 0 KHAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C[NH+]5CCCC5)c4)CC3)ccc21 ZINC000033077514 553906758 /nfs/dbraw/zinc/90/67/58/553906758.db2.gz JDBLFPKXZUWGLX-UHFFFAOYSA-N 1 0 524.687 3.621 50 0 KHAARO Cc1nn(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261397 553916261 /nfs/dbraw/zinc/91/62/61/553916261.db2.gz QZRDZWRDTSVHQI-JOCHJYFZSA-N 1 0 515.662 3.700 50 0 KHAARO Cc1nn(CCCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261398 553916215 /nfs/dbraw/zinc/91/62/15/553916215.db2.gz QZRDZWRDTSVHQI-QFIPXVFZSA-N 1 0 515.662 3.700 50 0 KHAARO CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)no1 ZINC000033355756 553936695 /nfs/dbraw/zinc/93/66/95/553936695.db2.gz ATQSFHHEPHITNA-UHFFFAOYSA-N 1 0 544.700 3.605 50 0 KHAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)n1 ZINC000033355882 553937845 /nfs/dbraw/zinc/93/78/45/553937845.db2.gz SHISMGLZXVAFND-UHFFFAOYSA-N 1 0 551.239 3.811 50 0 KHAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)NCc1ccco1 ZINC000033356061 553938591 /nfs/dbraw/zinc/93/85/91/553938591.db2.gz WBVZLKUFYSSURA-UHFFFAOYSA-N 1 0 605.695 3.515 50 0 KHAARO Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)NCC1CC[NH+](CCc2cccs2)CC1 ZINC000033356791 553944527 /nfs/dbraw/zinc/94/45/27/553944527.db2.gz YKSCJSOIWBECEE-UHFFFAOYSA-N 1 0 555.749 3.831 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000033356820 553944811 /nfs/dbraw/zinc/94/48/11/553944811.db2.gz GYVODFMMLQANIN-LOYHVIPDSA-N 1 0 560.670 3.687 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000033356821 553944804 /nfs/dbraw/zinc/94/48/04/553944804.db2.gz GYVODFMMLQANIN-XZWHSSHBSA-N 1 0 560.670 3.687 50 0 KHAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000033356823 553944813 /nfs/dbraw/zinc/94/48/13/553944813.db2.gz GYVODFMMLQANIN-IHLOFXLRSA-N 1 0 560.670 3.687 50 0 KHAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000033356826 553944818 /nfs/dbraw/zinc/94/48/18/553944818.db2.gz GYVODFMMLQANIN-KYJUHHDHSA-N 1 0 560.670 3.687 50 0 KHAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357090 553946332 /nfs/dbraw/zinc/94/63/32/553946332.db2.gz KDRHVDCROINOPI-MHZLTWQESA-N 1 0 579.698 3.966 50 0 KHAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)C(=S)N2CCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357092 553946364 /nfs/dbraw/zinc/94/63/64/553946364.db2.gz KDRHVDCROINOPI-HHHXNRCGSA-N 1 0 579.698 3.966 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000033357094 553946413 /nfs/dbraw/zinc/94/64/13/553946413.db2.gz VAXSCXQAOFCDHM-VWLOTQADSA-N 1 0 555.770 3.776 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000033357096 553946317 /nfs/dbraw/zinc/94/63/17/553946317.db2.gz VAXSCXQAOFCDHM-RUZDIDTESA-N 1 0 555.770 3.776 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000033357119 553946815 /nfs/dbraw/zinc/94/68/15/553946815.db2.gz HGMOWKLJOXFOIV-VWLOTQADSA-N 1 0 586.158 3.875 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000033357121 553946710 /nfs/dbraw/zinc/94/67/10/553946710.db2.gz HGMOWKLJOXFOIV-RUZDIDTESA-N 1 0 586.158 3.875 50 0 KHAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357130 553946771 /nfs/dbraw/zinc/94/67/71/553946771.db2.gz XNYFZKUBZIRNGJ-QFIPXVFZSA-N 1 0 534.513 3.962 50 0 KHAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357133 553946838 /nfs/dbraw/zinc/94/68/38/553946838.db2.gz XNYFZKUBZIRNGJ-JOCHJYFZSA-N 1 0 534.513 3.962 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000033357375 553947996 /nfs/dbraw/zinc/94/79/96/553947996.db2.gz VLCPHZZUJHZKTP-UHFFFAOYSA-N 1 0 590.190 3.712 50 0 KHAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000033357457 553948277 /nfs/dbraw/zinc/94/82/77/553948277.db2.gz NGHNMUDOPPKSSY-UHFFFAOYSA-N 1 0 546.487 3.564 50 0 KHAARO Cn1ccc2cc(NC(=O)C3(N(CCCn4ccnc4)C(=O)Cc4ccccc4)CC[NH+](C)CC3)ccc21 ZINC000033385551 553958109 /nfs/dbraw/zinc/95/81/09/553958109.db2.gz PEDZEBYKFCFSFI-UHFFFAOYSA-N 1 0 512.658 3.939 50 0 KHAARO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000033429035 553959676 /nfs/dbraw/zinc/95/96/76/553959676.db2.gz XJUIYSBCARVXIM-RCZVLFRGSA-N 1 0 500.521 3.968 50 0 KHAARO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000033429037 553959850 /nfs/dbraw/zinc/95/98/50/553959850.db2.gz XJUIYSBCARVXIM-RDGATRHJSA-N 1 0 500.521 3.968 50 0 KHAARO Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000033556208 553962573 /nfs/dbraw/zinc/96/25/73/553962573.db2.gz LOFXXYCHBQBDNW-UHFFFAOYSA-N 1 0 511.051 3.787 50 0 KHAARO CCNC(=O)N(CC[NH+]1CCCCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1 ZINC000033659842 553966486 /nfs/dbraw/zinc/96/64/86/553966486.db2.gz PMLCVBHJPQOKTF-UHFFFAOYSA-N 1 0 514.667 3.694 50 0 KHAARO CCOC(=O)CCC(=O)N(CC[NH+]1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000033739525 553971278 /nfs/dbraw/zinc/97/12/78/553971278.db2.gz UPSXILGYYZFWCN-UHFFFAOYSA-N 1 0 517.667 3.992 50 0 KHAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)c(OC)c1OC ZINC000034681999 553985692 /nfs/dbraw/zinc/98/56/92/553985692.db2.gz KOCCXIYPYFEOIW-UHFFFAOYSA-N 1 0 506.603 3.837 50 0 KHAARO CCOC(=O)C1CCN(C(=O)c2coc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CC1 ZINC000034684554 553986671 /nfs/dbraw/zinc/98/66/71/553986671.db2.gz LQZFQCCIACSWOA-UHFFFAOYSA-N 1 0 516.642 3.997 50 0 KHAARO O=C(NCc1ccccn1)[C@@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708278 553994579 /nfs/dbraw/zinc/99/45/79/553994579.db2.gz DHVRYHUBXPNMEK-RPLLCQBOSA-N 1 0 507.562 3.694 50 0 KHAARO O=C(NCc1ccccn1)[C@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708279 553994476 /nfs/dbraw/zinc/99/44/76/553994476.db2.gz DHVRYHUBXPNMEK-IGKIAQTJSA-N 1 0 507.562 3.694 50 0 KHAARO C[NH+](C)CCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000034761377 554001633 /nfs/dbraw/zinc/00/16/33/554001633.db2.gz BYLLSWZSWTVEFQ-QJOMJCCJSA-N 1 0 513.063 3.896 50 0 KHAARO C[NH+](C)CCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4F)C3=O)cc2)CC1 ZINC000034761449 554001918 /nfs/dbraw/zinc/00/19/18/554001918.db2.gz FVUQAURFJVHEMB-KQWNVCNZSA-N 1 0 514.598 3.521 50 0 KHAARO C[NH+](C)CCN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000034761739 554002261 /nfs/dbraw/zinc/00/22/61/554002261.db2.gz NRPBTRUMAYYXDN-QJOMJCCJSA-N 1 0 513.063 3.896 50 0 KHAARO C[NH+](C)CCN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000034761832 554002156 /nfs/dbraw/zinc/00/21/56/554002156.db2.gz SKWNKWMVIWOCSU-HAHDFKILSA-N 1 0 514.598 3.521 50 0 KHAARO C[NH+]1CCN(CCCNC(=O)Nc2c(N)n(-c3cc(F)ccc3F)nc2-c2ccc(Cl)cc2)CC1 ZINC000034785825 554004058 /nfs/dbraw/zinc/00/40/58/554004058.db2.gz SFVLTZTVXSJOQX-UHFFFAOYSA-N 1 0 503.985 3.812 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NC3CC[NH+](C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034791489 554007175 /nfs/dbraw/zinc/00/71/75/554007175.db2.gz OZHIBNJKZTWGNX-REWPJTCUSA-N 1 0 535.611 3.513 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NC3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034791491 554007122 /nfs/dbraw/zinc/00/71/22/554007122.db2.gz OZHIBNJKZTWGNX-NZQKXSOJSA-N 1 0 535.611 3.513 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC3CC[NH+](C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034791492 554007114 /nfs/dbraw/zinc/00/71/14/554007114.db2.gz OZHIBNJKZTWGNX-OFNKIYASSA-N 1 0 535.611 3.513 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034791494 554007243 /nfs/dbraw/zinc/00/72/43/554007243.db2.gz OZHIBNJKZTWGNX-NFBKMPQASA-N 1 0 535.611 3.513 50 0 KHAARO CN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792561 554008149 /nfs/dbraw/zinc/00/81/49/554008149.db2.gz OKGDRAGVAKSPRM-MUUNZHRXSA-N 1 0 529.685 3.557 50 0 KHAARO CN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792564 554008122 /nfs/dbraw/zinc/00/81/22/554008122.db2.gz OKGDRAGVAKSPRM-NDEPHWFRSA-N 1 0 529.685 3.557 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O ZINC000034810765 554010513 /nfs/dbraw/zinc/01/05/13/554010513.db2.gz IEUMMIMTZYCDLQ-UHFFFAOYSA-N 1 0 511.548 3.952 50 0 KHAARO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830434 554015682 /nfs/dbraw/zinc/01/56/82/554015682.db2.gz DEMOVKUOLXPNJI-ZBLYBZFDSA-N 1 0 511.688 3.797 50 0 KHAARO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830435 554015611 /nfs/dbraw/zinc/01/56/11/554015611.db2.gz DEMOVKUOLXPNJI-IDISGSTGSA-N 1 0 511.688 3.797 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830474 554016068 /nfs/dbraw/zinc/01/60/68/554016068.db2.gz XDBUSAYNKVEPNJ-NDEPHWFRSA-N 1 0 507.631 3.975 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830475 554016212 /nfs/dbraw/zinc/01/62/12/554016212.db2.gz XDBUSAYNKVEPNJ-MUUNZHRXSA-N 1 0 507.631 3.975 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830488 554015999 /nfs/dbraw/zinc/01/59/99/554015999.db2.gz VIHJYEGITKCRKG-HHHXNRCGSA-N 1 0 521.614 3.938 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830489 554016082 /nfs/dbraw/zinc/01/60/82/554016082.db2.gz VIHJYEGITKCRKG-MHZLTWQESA-N 1 0 521.614 3.938 50 0 KHAARO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830558 554016633 /nfs/dbraw/zinc/01/66/33/554016633.db2.gz YFWXAFMLTMAONR-PPHZAIPVSA-N 1 0 515.651 3.627 50 0 KHAARO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830559 554016430 /nfs/dbraw/zinc/01/64/30/554016430.db2.gz YFWXAFMLTMAONR-WINIVTDRSA-N 1 0 515.651 3.627 50 0 KHAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830615 554016576 /nfs/dbraw/zinc/01/65/76/554016576.db2.gz LXOZVQVXEQLWMH-HFZDXXHNSA-N 1 0 509.697 3.926 50 0 KHAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830616 554016593 /nfs/dbraw/zinc/01/65/93/554016593.db2.gz LXOZVQVXEQLWMH-LVXARBLLSA-N 1 0 509.697 3.926 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830621 554016624 /nfs/dbraw/zinc/01/66/24/554016624.db2.gz SLSVSVQKMCIFGM-SANMLTNESA-N 1 0 513.660 3.758 50 0 KHAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830622 554016498 /nfs/dbraw/zinc/01/64/98/554016498.db2.gz SLSVSVQKMCIFGM-AREMUKBSSA-N 1 0 513.660 3.758 50 0 KHAARO CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)CC(C)C ZINC000034831345 554016982 /nfs/dbraw/zinc/01/69/82/554016982.db2.gz UPCKJRYMHKPSED-UHFFFAOYSA-N 1 0 501.647 3.790 50 0 KHAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000034831382 554016928 /nfs/dbraw/zinc/01/69/28/554016928.db2.gz GLYYCFVUHFKQME-UHFFFAOYSA-N 1 0 503.619 3.812 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)COc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831840 554017317 /nfs/dbraw/zinc/01/73/17/554017317.db2.gz SQPQDLBTQSRUSA-UHFFFAOYSA-N 1 0 509.626 3.516 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831844 554017288 /nfs/dbraw/zinc/01/72/88/554017288.db2.gz KXPXNULTXBFCPV-UHFFFAOYSA-N 1 0 523.653 3.688 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831851 554017305 /nfs/dbraw/zinc/01/73/05/554017305.db2.gz XXOFWXYTYHMGFP-UHFFFAOYSA-N 1 0 511.617 3.819 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)Cc3ccc(OC)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831872 554017218 /nfs/dbraw/zinc/01/72/18/554017218.db2.gz SGUHKJSPKLTKMV-UHFFFAOYSA-N 1 0 505.663 3.549 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034831880 554017686 /nfs/dbraw/zinc/01/76/86/554017686.db2.gz IGGYZNYFECFGRY-UHFFFAOYSA-N 1 0 505.663 3.514 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)NC3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831887 554017647 /nfs/dbraw/zinc/01/76/47/554017647.db2.gz SBBPNGBJUOTZIS-UHFFFAOYSA-N 1 0 500.663 3.952 50 0 KHAARO CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)[C@H](C)CC ZINC000034832074 554017586 /nfs/dbraw/zinc/01/75/86/554017586.db2.gz IQQWINHVDCMZDS-HXUWFJFHSA-N 1 0 501.647 3.932 50 0 KHAARO CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)[C@@H](C)CC ZINC000034832076 554017576 /nfs/dbraw/zinc/01/75/76/554017576.db2.gz IQQWINHVDCMZDS-FQEVSTJZSA-N 1 0 501.647 3.932 50 0 KHAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1cccc(OC)c1 ZINC000034834583 554018753 /nfs/dbraw/zinc/01/87/53/554018753.db2.gz KYXOKYIICRZYFB-UHFFFAOYSA-N 1 0 509.626 3.759 50 0 KHAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)COCc1ccccc1 ZINC000034834594 554018832 /nfs/dbraw/zinc/01/88/32/554018832.db2.gz LGKSLPQQQONBAR-UHFFFAOYSA-N 1 0 523.653 3.654 50 0 KHAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)NC1CCCCC1 ZINC000034834809 554019226 /nfs/dbraw/zinc/01/92/26/554019226.db2.gz QOWMWTXXRCQTSV-UHFFFAOYSA-N 1 0 500.663 3.952 50 0 KHAARO COc1ccc(S(=O)(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)CC(C)C)cc1 ZINC000034834849 554019268 /nfs/dbraw/zinc/01/92/68/554019268.db2.gz MECXDUSJGBMVFG-UHFFFAOYSA-N 1 0 511.692 3.788 50 0 KHAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834881 554019234 /nfs/dbraw/zinc/01/92/34/554019234.db2.gz SKSQRTOSGMQXSQ-UHFFFAOYSA-N 1 0 532.110 3.813 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)COc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835152 554019505 /nfs/dbraw/zinc/01/95/05/554019505.db2.gz NHBQUKWVCBWKNN-UHFFFAOYSA-N 1 0 505.663 3.767 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)COCc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835212 554019516 /nfs/dbraw/zinc/01/95/16/554019516.db2.gz RURSJXLXGWRPIB-UHFFFAOYSA-N 1 0 519.690 3.905 50 0 KHAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835628 554019871 /nfs/dbraw/zinc/01/98/71/554019871.db2.gz DTXMFBBVGMDQSK-UHFFFAOYSA-N 1 0 505.594 3.995 50 0 KHAARO CCOC(=O)CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835746 554019933 /nfs/dbraw/zinc/01/99/33/554019933.db2.gz XEWHTSFOHYNAGR-UHFFFAOYSA-N 1 0 501.647 3.931 50 0 KHAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)NCC(=O)OCC ZINC000034835777 554020292 /nfs/dbraw/zinc/02/02/92/554020292.db2.gz QLMDVQQCWUBQMC-UHFFFAOYSA-N 1 0 516.662 3.589 50 0 KHAARO CC[NH+]1CCN(c2c(CN(C3CC3)S(=O)(=O)c3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835920 554020253 /nfs/dbraw/zinc/02/02/53/554020253.db2.gz MCDCGVUJTSKUFA-UHFFFAOYSA-N 1 0 515.630 3.954 50 0 KHAARO COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000034838992 554020825 /nfs/dbraw/zinc/02/08/25/554020825.db2.gz JLAKORGARXNJKQ-UHFFFAOYSA-N 1 0 509.054 3.834 50 0 KHAARO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000034912251 554029497 /nfs/dbraw/zinc/02/94/97/554029497.db2.gz JNFTVVRKCSHBFF-UHFFFAOYSA-N 1 0 521.502 3.900 50 0 KHAARO C[NH+](C)CCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000034921492 554031643 /nfs/dbraw/zinc/03/16/43/554031643.db2.gz WQHDPNFPFOVMSA-UHFFFAOYSA-N 1 0 500.548 3.526 50 0 KHAARO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000034921832 554031934 /nfs/dbraw/zinc/03/19/34/554031934.db2.gz JISHZXSUUSQZLN-UHFFFAOYSA-N 1 0 506.621 3.654 50 0 KHAARO COc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)nc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000034922085 554031981 /nfs/dbraw/zinc/03/19/81/554031981.db2.gz OXZWVYPZPCLNBA-UHFFFAOYSA-N 1 0 500.647 3.645 50 0 KHAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928231 554032684 /nfs/dbraw/zinc/03/26/84/554032684.db2.gz QPVXPOZINAQSHR-CLJLJLNGSA-N 1 0 509.647 3.956 50 0 KHAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928232 554032676 /nfs/dbraw/zinc/03/26/76/554032676.db2.gz QPVXPOZINAQSHR-FTJBHMTQSA-N 1 0 509.647 3.956 50 0 KHAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928233 554032671 /nfs/dbraw/zinc/03/26/71/554032671.db2.gz QPVXPOZINAQSHR-IZZNHLLZSA-N 1 0 509.647 3.956 50 0 KHAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928234 554033043 /nfs/dbraw/zinc/03/30/43/554033043.db2.gz QPVXPOZINAQSHR-UIOOFZCWSA-N 1 0 509.647 3.956 50 0 KHAARO C[NH2+][C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1 ZINC000035328520 554043468 /nfs/dbraw/zinc/04/34/68/554043468.db2.gz NXWASIVXQMMPLM-ZXMXYHOLSA-N 1 0 525.090 3.580 50 0 investigational KHAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000035338775 554043638 /nfs/dbraw/zinc/04/36/38/554043638.db2.gz YKMYRAXRCXQAPE-JRFVFWCSSA-N 1 0 507.675 3.646 50 0 KHAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000035338782 554043669 /nfs/dbraw/zinc/04/36/69/554043669.db2.gz YKMYRAXRCXQAPE-GMKZXUHWSA-N 1 0 507.675 3.646 50 0 KHAARO COc1ccc(C(=O)[C@H]2[C@@]3(c4ccccc4NC3=O)[C@@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1OC ZINC000035361865 554044152 /nfs/dbraw/zinc/04/41/52/554044152.db2.gz GKYVNSKNUJRCQJ-RQMUNXDHSA-N 1 0 509.562 3.718 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035363900 554044879 /nfs/dbraw/zinc/04/48/79/554044879.db2.gz IRFOMQVEONEZJC-YRIIQKNPSA-N 1 0 506.562 3.653 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035363901 554044847 /nfs/dbraw/zinc/04/48/47/554044847.db2.gz IRFOMQVEONEZJC-CPBHOCDRSA-N 1 0 506.562 3.653 50 0 biogenic KHAARO Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)c2=O)cc1 ZINC000035372197 554045006 /nfs/dbraw/zinc/04/50/06/554045006.db2.gz SZVBIMMMIDDRTC-QHCPKHFHSA-N 1 0 501.675 3.960 50 0 KHAARO Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)c2=O)cc1 ZINC000035372200 554044864 /nfs/dbraw/zinc/04/48/64/554044864.db2.gz SZVBIMMMIDDRTC-HSZRJFAPSA-N 1 0 501.675 3.960 50 0 KHAARO Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)c2=O)cc1 ZINC000035372205 554045244 /nfs/dbraw/zinc/04/52/44/554045244.db2.gz SCMUKAKDLNULHR-UHFFFAOYSA-N 1 0 501.675 3.962 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)c1 ZINC000035375657 554045261 /nfs/dbraw/zinc/04/52/61/554045261.db2.gz OFGAUJZCTPUCFP-YRIIQKNPSA-N 1 0 506.562 3.653 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)c1 ZINC000035375677 554045293 /nfs/dbraw/zinc/04/52/93/554045293.db2.gz ZBBALFQLJJDNOW-YDXRHMNESA-N 1 0 506.562 3.653 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)c1 ZINC000035375681 554045353 /nfs/dbraw/zinc/04/53/53/554045353.db2.gz ZBBALFQLJJDNOW-ZASNTINBSA-N 1 0 506.562 3.653 50 0 KHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000035518759 554057674 /nfs/dbraw/zinc/05/76/74/554057674.db2.gz KTQMOAFYOUHWPJ-XXBNENTESA-N 1 0 521.108 3.674 50 0 KHAARO COCCn1c([C@H](C)N(CCCCCC[NH3+])C(=O)c2cc(OC)cc(OC)c2)nc2ccccc2c1=O ZINC000035743798 554069805 /nfs/dbraw/zinc/06/98/05/554069805.db2.gz YFSYNQWSSKQHPH-FQEVSTJZSA-N 1 0 510.635 3.783 50 0 KHAARO COCCn1c([C@@H](C)N(CCCCCC[NH3+])C(=O)c2cc(OC)cc(OC)c2)nc2ccccc2c1=O ZINC000035743800 554069780 /nfs/dbraw/zinc/06/97/80/554069780.db2.gz YFSYNQWSSKQHPH-HXUWFJFHSA-N 1 0 510.635 3.783 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000035806836 554075970 /nfs/dbraw/zinc/07/59/70/554075970.db2.gz DCNZOUZVSZWKDG-OVDFTCDZSA-N 1 0 518.573 3.847 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000035807468 554076278 /nfs/dbraw/zinc/07/62/78/554076278.db2.gz AQAXVSXRTIGQKY-GURVGDRESA-N 1 0 520.589 3.961 50 0 biogenic KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000035808758 554077135 /nfs/dbraw/zinc/07/71/35/554077135.db2.gz DYCBCGJEMXOJHO-GURVGDRESA-N 1 0 518.573 3.847 50 0 KHAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CCC2)cc1OC ZINC000035809002 554077525 /nfs/dbraw/zinc/07/75/25/554077525.db2.gz LJTJZTKTPDQJHQ-UHFFFAOYSA-N 1 0 511.663 3.901 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000035828072 554079058 /nfs/dbraw/zinc/07/90/58/554079058.db2.gz FWQJHPJFHQXZDV-GURVGDRESA-N 1 0 520.589 3.961 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)c1 ZINC000035828098 554079168 /nfs/dbraw/zinc/07/91/68/554079168.db2.gz UUWOXPVNPCBTJI-GURVGDRESA-N 1 0 520.589 3.961 50 0 KHAARO CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000035851315 554083441 /nfs/dbraw/zinc/08/34/41/554083441.db2.gz XQVVPGYIWAGRNI-QFIPXVFZSA-N 1 0 521.666 3.557 50 0 in-vitro KHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000035877114 554087815 /nfs/dbraw/zinc/08/78/15/554087815.db2.gz KIPYSZPQMVMUOI-WNCULLNHSA-N 1 0 527.021 3.572 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000035883693 554088264 /nfs/dbraw/zinc/08/82/64/554088264.db2.gz PTXPZNZZBNRQDI-GURVGDRESA-N 1 0 520.589 3.961 50 0 KHAARO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908105 554092227 /nfs/dbraw/zinc/09/22/27/554092227.db2.gz FYMVXXRPZSBVBD-LSQMVHIFSA-N 1 0 503.565 3.743 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1ccc(C)cc1 ZINC000035911591 554095004 /nfs/dbraw/zinc/09/50/04/554095004.db2.gz XOIOHVAEISURBG-UHFFFAOYSA-N 1 0 504.660 3.679 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1ccc(F)cc1 ZINC000035911674 554095046 /nfs/dbraw/zinc/09/50/46/554095046.db2.gz CHOXNKDFMSANRJ-UHFFFAOYSA-N 1 0 508.623 3.509 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1cccc(C)c1 ZINC000035911865 554095685 /nfs/dbraw/zinc/09/56/85/554095685.db2.gz JRUPOTKUXGEEEI-UHFFFAOYSA-N 1 0 504.660 3.679 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912017 554095897 /nfs/dbraw/zinc/09/58/97/554095897.db2.gz FITMDWHINWEOBU-UHFFFAOYSA-N 1 0 518.687 3.987 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924735 554097397 /nfs/dbraw/zinc/09/73/97/554097397.db2.gz JTYYHVUAOJPVJP-UHFFFAOYSA-N 1 0 522.650 3.818 50 0 KHAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1ccccc1F ZINC000035925767 554098170 /nfs/dbraw/zinc/09/81/70/554098170.db2.gz IRAZNYXPLMWFEJ-UHFFFAOYSA-N 1 0 508.623 3.509 50 0 KHAARO O=C(c1ccc(Cl)cc1)N1CCN(c2nc(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926315 554099275 /nfs/dbraw/zinc/09/92/75/554099275.db2.gz CZHMZBRTYSEDKT-UHFFFAOYSA-N 1 0 506.050 3.840 50 0 KHAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000035926521 554099604 /nfs/dbraw/zinc/09/96/04/554099604.db2.gz OBWLLZWYWNBXOE-UHFFFAOYSA-N 1 0 510.436 3.517 50 0 KHAARO CC(C)c1ccc(C[NH+]2CCN(c3nc(CN4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926846 554100834 /nfs/dbraw/zinc/10/08/34/554100834.db2.gz RPMKQZKNMPTKRD-UHFFFAOYSA-N 1 0 518.681 3.672 50 0 KHAARO O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000035926861 554100747 /nfs/dbraw/zinc/10/07/47/554100747.db2.gz ULNIQFCLAZWGEN-UHFFFAOYSA-N 1 0 518.628 3.561 50 0 KHAARO O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000035926877 554100786 /nfs/dbraw/zinc/10/07/86/554100786.db2.gz NFIGTSYXPWZDLU-UHFFFAOYSA-N 1 0 532.655 3.951 50 0 KHAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000035999825 554127309 /nfs/dbraw/zinc/12/73/09/554127309.db2.gz OQKYSKQSCSKLKF-YCYTWPSCSA-N 1 0 568.699 3.702 50 0 KHAARO CN1CCN(C(=O)c2cccc(CSc3nc(-c4ccccc4)cc(N4CC[NH+](C)CC4)n3)c2)CC1 ZINC000036021384 554139996 /nfs/dbraw/zinc/13/99/96/554139996.db2.gz MHZYWNSZKMVMCI-UHFFFAOYSA-N 1 0 502.688 3.575 50 0 KHAARO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000036027579 554141006 /nfs/dbraw/zinc/14/10/06/554141006.db2.gz SLPLREQHSZCUOH-UHFFFAOYSA-N 1 0 514.626 3.742 50 0 KHAARO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000036038718 554146919 /nfs/dbraw/zinc/14/69/19/554146919.db2.gz KMLVJKOTIZIEMZ-UHFFFAOYSA-N 1 0 508.667 3.834 50 0 KHAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)o2)n1 ZINC000036040906 554150451 /nfs/dbraw/zinc/15/04/51/554150451.db2.gz CROOURNUBKPXKE-UHFFFAOYSA-N 1 0 507.660 3.970 50 0 KHAARO CC[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)CC1 ZINC000036045163 554153544 /nfs/dbraw/zinc/15/35/44/554153544.db2.gz VXANLWCZKPCTQX-IBGZPJMESA-N 1 0 509.598 3.838 50 0 KHAARO CC[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)n2)CC1 ZINC000036045164 554153389 /nfs/dbraw/zinc/15/33/89/554153389.db2.gz VXANLWCZKPCTQX-LJQANCHMSA-N 1 0 509.598 3.838 50 0 KHAARO COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)CC(C)C)cc1OC ZINC000036049336 554155185 /nfs/dbraw/zinc/15/51/85/554155185.db2.gz HQJICHQKDQOOHQ-UHFFFAOYSA-N 1 0 507.635 3.931 50 0 KHAARO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000036053833 554158712 /nfs/dbraw/zinc/15/87/12/554158712.db2.gz OOUZMTVLTIODIQ-UHFFFAOYSA-N 1 0 508.667 3.834 50 0 KHAARO COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000036053904 554159056 /nfs/dbraw/zinc/15/90/56/554159056.db2.gz VWBVOFHSEXJHKK-UHFFFAOYSA-N 1 0 521.687 3.614 50 0 KHAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000036053909 554159011 /nfs/dbraw/zinc/15/90/11/554159011.db2.gz QWTDCJWIRFEXME-UHFFFAOYSA-N 1 0 533.698 3.710 50 0 KHAARO COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(CC[NH+](C)C)C(=O)CC(C)C)n2)cc1 ZINC000036055627 554159583 /nfs/dbraw/zinc/15/95/83/554159583.db2.gz RQGVCOXTCSRZFK-UHFFFAOYSA-N 1 0 507.635 3.931 50 0 KHAARO COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(CC[NH+](C)C)C(=O)NC(C)(C)C)n2)cc1 ZINC000036058201 554160134 /nfs/dbraw/zinc/16/01/34/554160134.db2.gz KULGFXLUUFDPAX-UHFFFAOYSA-N 1 0 522.650 3.867 50 0 KHAARO CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(C)cc(N4CC[NH+](CC)CC4)n3)c2)CC1 ZINC000036059182 554160088 /nfs/dbraw/zinc/16/00/88/554160088.db2.gz SJMOYUZXGCAQOP-UHFFFAOYSA-N 1 0 511.692 3.635 50 0 KHAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)CC1 ZINC000036065162 554163823 /nfs/dbraw/zinc/16/38/23/554163823.db2.gz XCDXNQUVYSJQFR-UHFFFAOYSA-N 1 0 524.735 3.513 50 0 KHAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc3c(c2)OCO3)n1 ZINC000036065740 554164815 /nfs/dbraw/zinc/16/48/15/554164815.db2.gz WKDWWPYZYAGHEN-UHFFFAOYSA-N 1 0 504.509 3.916 50 0 KHAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2C(F)(F)F)n1 ZINC000036068476 554165499 /nfs/dbraw/zinc/16/54/99/554165499.db2.gz GWJLXMHICFWPMG-UHFFFAOYSA-N 1 0 504.509 3.916 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000036069283 554165984 /nfs/dbraw/zinc/16/59/84/554165984.db2.gz LSSRQBAYNUPKHO-UHFFFAOYSA-N 1 0 514.674 3.585 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccs1 ZINC000036069779 554166682 /nfs/dbraw/zinc/16/66/82/554166682.db2.gz RECREPVEBBCVFT-UHFFFAOYSA-N 1 0 520.703 3.646 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000036069784 554166640 /nfs/dbraw/zinc/16/66/40/554166640.db2.gz KFKYFFZAZVNKJG-UHFFFAOYSA-N 1 0 528.701 3.893 50 0 KHAARO CCOC(=O)c1sc2nc(C[N@H+](C[C@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207244 554202563 /nfs/dbraw/zinc/20/25/63/554202563.db2.gz CZJAWBROGQBADS-SFHVURJKSA-N 1 0 503.621 3.775 50 0 KHAARO CCOC(=O)c1sc2nc(C[N@H+](C[C@@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207245 554202612 /nfs/dbraw/zinc/20/26/12/554202612.db2.gz CZJAWBROGQBADS-GOSISDBHSA-N 1 0 503.621 3.775 50 0 KHAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCN1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036208267 554202991 /nfs/dbraw/zinc/20/29/91/554202991.db2.gz CTLCIIBEDPWTQH-MHZLTWQESA-N 1 0 522.690 3.900 50 0 KHAARO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](CCN1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036208268 554202979 /nfs/dbraw/zinc/20/29/79/554202979.db2.gz CTLCIIBEDPWTQH-HHHXNRCGSA-N 1 0 522.690 3.900 50 0 KHAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036249702 554210112 /nfs/dbraw/zinc/21/01/12/554210112.db2.gz YWKKVCFSRCEBNN-VWLOTQADSA-N 1 0 513.610 3.734 50 0 KHAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249703 554210109 /nfs/dbraw/zinc/21/01/09/554210109.db2.gz YWKKVCFSRCEBNN-RUZDIDTESA-N 1 0 513.610 3.734 50 0 KHAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COc1ccccc1C ZINC000036249712 554210199 /nfs/dbraw/zinc/21/01/99/554210199.db2.gz GOTOOOXAXFGWIW-XMMPIXPASA-N 1 0 513.610 3.904 50 0 KHAARO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COc1ccccc1C ZINC000036249713 554210106 /nfs/dbraw/zinc/21/01/06/554210106.db2.gz GOTOOOXAXFGWIW-DEOSSOPVSA-N 1 0 513.610 3.904 50 0 KHAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249720 554210091 /nfs/dbraw/zinc/21/00/91/554210091.db2.gz QKNDXRKLKKBHMM-FTJBHMTQSA-N 1 0 525.621 3.876 50 0 KHAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249721 554210115 /nfs/dbraw/zinc/21/01/15/554210115.db2.gz QKNDXRKLKKBHMM-UIOOFZCWSA-N 1 0 525.621 3.876 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256885 554210963 /nfs/dbraw/zinc/21/09/63/554210963.db2.gz QSTMPOJKYWVMPT-AJTFRIOCSA-N 1 0 519.130 3.803 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256889 554211001 /nfs/dbraw/zinc/21/10/01/554211001.db2.gz QSTMPOJKYWVMPT-WXVAWEFUSA-N 1 0 519.130 3.803 50 0 KHAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302326 554212325 /nfs/dbraw/zinc/21/23/25/554212325.db2.gz OEAAGHNECNPHAG-RUZDIDTESA-N 1 0 506.647 3.887 50 0 KHAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302329 554212207 /nfs/dbraw/zinc/21/22/07/554212207.db2.gz OEAAGHNECNPHAG-VWLOTQADSA-N 1 0 506.647 3.887 50 0 KHAARO COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000036309313 554217127 /nfs/dbraw/zinc/21/71/27/554217127.db2.gz LMOZQHKGDPOHTA-BWKNWUBXSA-N 1 0 502.677 3.759 50 0 KHAARO COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000036309314 554217244 /nfs/dbraw/zinc/21/72/44/554217244.db2.gz LMOZQHKGDPOHTA-OFVILXPXSA-N 1 0 502.677 3.759 50 0 KHAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313392 554218869 /nfs/dbraw/zinc/21/88/69/554218869.db2.gz GXDDIZBLQSUDOA-RPWUZVMVSA-N 1 0 525.621 3.876 50 0 KHAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313393 554218897 /nfs/dbraw/zinc/21/88/97/554218897.db2.gz GXDDIZBLQSUDOA-ZEQRLZLVSA-N 1 0 525.621 3.876 50 0 KHAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000037277339 554233094 /nfs/dbraw/zinc/23/30/94/554233094.db2.gz RFJZQRJDHAQLKX-UHFFFAOYSA-N 1 0 504.631 3.515 50 0 KHAARO O=C(c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000037288672 554234694 /nfs/dbraw/zinc/23/46/94/554234694.db2.gz YXZDCTHPDOAGOJ-UHFFFAOYSA-N 1 0 531.122 3.988 50 0 KHAARO C[NH+](C)CCN1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037376240 554235325 /nfs/dbraw/zinc/23/53/25/554235325.db2.gz DVJGIQZQWACBJX-UHFFFAOYSA-N 1 0 509.033 3.600 50 0 KHAARO COc1ccc(-n2nc3nc(N4CCN(CC[NH+](C)C)CC4)nc(-c4ccc(F)c(Cl)c4)c3c2N)cc1 ZINC000037376734 554235437 /nfs/dbraw/zinc/23/54/37/554235437.db2.gz UVFMIXGVYDAYLB-UHFFFAOYSA-N 1 0 525.032 3.549 50 0 KHAARO COc1ccc(CN(CC[NH+](C)C)C(=O)CC(C)(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037399927 554241704 /nfs/dbraw/zinc/24/17/04/554241704.db2.gz JKLCUMHCAJEKFQ-UHFFFAOYSA-N 1 0 519.664 3.748 50 0 KHAARO COc1ccc(S(=O)(=O)Oc2cc(CN(CC[NH+](C)C)C(=O)c3ccccc3F)ccc2OC)cc1 ZINC000037399956 554241739 /nfs/dbraw/zinc/24/17/39/554241739.db2.gz ANDDKRLWGSZXCJ-UHFFFAOYSA-N 1 0 516.591 3.815 50 0 KHAARO COc1ccc(S(=O)(=O)Oc2cc(CN(CC[NH+](C)C)C(=O)c3cccs3)ccc2OC)cc1 ZINC000037400339 554242088 /nfs/dbraw/zinc/24/20/88/554242088.db2.gz GKYWLDCMFFONDV-UHFFFAOYSA-N 1 0 504.630 3.737 50 0 KHAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@@H](c2ccccc2F)SCC1=O ZINC000037424478 554244239 /nfs/dbraw/zinc/24/42/39/554244239.db2.gz RPEJIYRECSBXOE-JOCHJYFZSA-N 1 0 503.688 3.922 50 0 KHAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@H](c2ccccc2F)SCC1=O ZINC000037424480 554244169 /nfs/dbraw/zinc/24/41/69/554244169.db2.gz RPEJIYRECSBXOE-QFIPXVFZSA-N 1 0 503.688 3.922 50 0 KHAARO COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427905 554247379 /nfs/dbraw/zinc/24/73/79/554247379.db2.gz XTSUVWHQDVGUJZ-HSZRJFAPSA-N 1 0 515.724 3.791 50 0 KHAARO COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427906 554247373 /nfs/dbraw/zinc/24/73/73/554247373.db2.gz XTSUVWHQDVGUJZ-QHCPKHFHSA-N 1 0 515.724 3.791 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4F)cc32)o1 ZINC000037510323 554248914 /nfs/dbraw/zinc/24/89/14/554248914.db2.gz KYVJFNQTMIZZPR-UHFFFAOYSA-N 1 0 523.561 3.678 50 0 KHAARO Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC[NH+]4CCCCC4)o2)C(=O)CO3)c1 ZINC000037510584 554248884 /nfs/dbraw/zinc/24/88/84/554248884.db2.gz JWHHPNCSGLHCPI-UHFFFAOYSA-N 1 0 531.609 3.991 50 0 KHAARO O=C(COc1ccccc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC[NH+]3CCCCC3)o1)C(=O)CO2 ZINC000037510617 554248957 /nfs/dbraw/zinc/24/89/57/554248957.db2.gz JELTXGHNHMYKLW-UHFFFAOYSA-N 1 0 517.582 3.683 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4)cc32)o1 ZINC000037510635 554248902 /nfs/dbraw/zinc/24/89/02/554248902.db2.gz ZSABAISMIOSJRL-UHFFFAOYSA-N 1 0 519.598 3.847 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4C)cc32)o1 ZINC000037510664 554248908 /nfs/dbraw/zinc/24/89/08/554248908.db2.gz QZAXQYZEYOHZKO-UHFFFAOYSA-N 1 0 519.598 3.847 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(F)c4)cc32)o1 ZINC000037511047 554249256 /nfs/dbraw/zinc/24/92/56/554249256.db2.gz VMQHQLXQAJCGSR-UHFFFAOYSA-N 1 0 523.561 3.678 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4cccc(C)c4)cc32)o1 ZINC000037511215 554249251 /nfs/dbraw/zinc/24/92/51/554249251.db2.gz VQLZHPSLYJRWAX-UHFFFAOYSA-N 1 0 519.598 3.847 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)o1 ZINC000037511228 554249176 /nfs/dbraw/zinc/24/91/76/554249176.db2.gz IKHNBJMEOZAKEM-UHFFFAOYSA-N 1 0 505.571 3.539 50 0 KHAARO Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC[NH+]4CCCCC4)o2)C(=O)CO3)cc1 ZINC000037511239 554249194 /nfs/dbraw/zinc/24/91/94/554249194.db2.gz DCEZJLSTFWREOI-UHFFFAOYSA-N 1 0 531.609 3.991 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(F)cc4)cc32)o1 ZINC000037511253 554249229 /nfs/dbraw/zinc/24/92/29/554249229.db2.gz RCIAKRPAIVFWEN-UHFFFAOYSA-N 1 0 523.561 3.678 50 0 KHAARO CC[NH+](CC)CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21 ZINC000037512082 554249556 /nfs/dbraw/zinc/24/95/56/554249556.db2.gz ZLYAJRQYAFWYIF-UHFFFAOYSA-N 1 0 502.011 3.565 50 0 KHAARO Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000037526014 554250650 /nfs/dbraw/zinc/25/06/50/554250650.db2.gz VRYFRNDVPWZXAY-UHFFFAOYSA-N 1 0 510.704 3.643 50 0 KHAARO Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCC[NH+](C)C)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606290 554257354 /nfs/dbraw/zinc/25/73/54/554257354.db2.gz INEMCJUGAGQMHU-HHHXNRCGSA-N 1 0 502.615 3.738 50 0 KHAARO Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCC[NH+](C)C)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606293 554257342 /nfs/dbraw/zinc/25/73/42/554257342.db2.gz INEMCJUGAGQMHU-MHZLTWQESA-N 1 0 502.615 3.738 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(cc(F)cc4F)s3)cc2)CC1 ZINC000038139106 554259095 /nfs/dbraw/zinc/25/90/95/554259095.db2.gz FLQZKVUEYHORQA-UHFFFAOYSA-N 1 0 595.694 3.636 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4ccc(CC)cc4s3)cc2)CC1 ZINC000038139146 554259352 /nfs/dbraw/zinc/25/93/52/554259352.db2.gz IGNBZAZEBXMCHN-UHFFFAOYSA-N 1 0 587.768 3.920 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(ccc(C)c4C)s3)cc2)CC1 ZINC000038139149 554259323 /nfs/dbraw/zinc/25/93/23/554259323.db2.gz HKYSMHMGBRWVQY-UHFFFAOYSA-N 1 0 587.768 3.974 50 0 KHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@@H]2C)c1 ZINC000038139291 554259872 /nfs/dbraw/zinc/25/98/72/554259872.db2.gz UOSJYDWHBBYCAJ-LOSJGSFVSA-N 1 0 544.748 3.795 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2cccc(OC)c2OC)CC1 ZINC000038139575 554260815 /nfs/dbraw/zinc/26/08/15/554260815.db2.gz JELDRQBZKBQNBR-SDNWHVSQSA-N 1 0 542.702 3.672 50 0 KHAARO CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000038140321 554263059 /nfs/dbraw/zinc/26/30/59/554263059.db2.gz FTMIYUJJVRTGAK-UHFFFAOYSA-N 1 0 542.702 3.613 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC)c(OC)c2)CC1 ZINC000038140459 554263685 /nfs/dbraw/zinc/26/36/85/554263685.db2.gz MRHNGEKJAIXWRL-UKTHLTGXSA-N 1 0 542.702 3.672 50 0 KHAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000038144536 554265927 /nfs/dbraw/zinc/26/59/27/554265927.db2.gz QIIYIJURRSENQD-UHFFFAOYSA-N 1 0 530.672 3.798 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(CC)cc4s3)cc2)CC1 ZINC000038144546 554266183 /nfs/dbraw/zinc/26/61/83/554266183.db2.gz CBJYETVFYFNWJV-UHFFFAOYSA-N 1 0 573.741 3.530 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(Cl)cc4s3)cc2)CC1 ZINC000038144547 554266133 /nfs/dbraw/zinc/26/61/33/554266133.db2.gz KKRYVYQAEZFUGE-UHFFFAOYSA-N 1 0 580.132 3.621 50 0 KHAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000038146804 554269889 /nfs/dbraw/zinc/26/98/89/554269889.db2.gz QWNOGNCRWUYGBZ-KXQOOQHDSA-N 1 0 534.657 3.520 50 0 KHAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000038146805 554269854 /nfs/dbraw/zinc/26/98/54/554269854.db2.gz QWNOGNCRWUYGBZ-LHEWISCISA-N 1 0 534.657 3.520 50 0 KHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000038147100 554270111 /nfs/dbraw/zinc/27/01/11/554270111.db2.gz IHUZQICHNGJPFO-LJQANCHMSA-N 1 0 540.064 3.548 50 0 KHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000038147101 554270136 /nfs/dbraw/zinc/27/01/36/554270136.db2.gz IHUZQICHNGJPFO-IBGZPJMESA-N 1 0 540.064 3.548 50 0 KHAARO Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000038147246 554270152 /nfs/dbraw/zinc/27/01/52/554270152.db2.gz FOYXZCMCJLBSDA-UHFFFAOYSA-N 1 0 581.717 3.980 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000038150084 554271503 /nfs/dbraw/zinc/27/15/03/554271503.db2.gz QUMDSKWDUIUZNB-UHFFFAOYSA-N 1 0 539.073 3.813 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2cc(OC)ccc2OC)CC1 ZINC000038152197 554271945 /nfs/dbraw/zinc/27/19/45/554271945.db2.gz DSVYBMNFGCOMSC-MDWZMJQESA-N 1 0 542.702 3.672 50 0 KHAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000038152364 554272902 /nfs/dbraw/zinc/27/29/02/554272902.db2.gz QOBPFFWGFCVDFS-UHFFFAOYSA-N 1 0 530.872 3.835 50 0 KHAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cnc(C)c(N)c3OC)c(=O)cc21 ZINC000038555780 554275156 /nfs/dbraw/zinc/27/51/56/554275156.db2.gz QFXUFXTTZKTZBT-FQEVSTJZSA-N 1 0 506.603 3.853 50 0 biogenic KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000040450321 554285264 /nfs/dbraw/zinc/28/52/64/554285264.db2.gz ONPKYRZOLOOFRB-UHFFFAOYSA-N 1 0 506.466 3.691 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[N@@H+](CC)Cc3ccccc3)cc21 ZINC000040450361 554285250 /nfs/dbraw/zinc/28/52/50/554285250.db2.gz KSPSIGQKBGBNLS-UHFFFAOYSA-N 1 0 508.482 3.939 50 0 KHAARO O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000040450484 554285413 /nfs/dbraw/zinc/28/54/13/554285413.db2.gz PNKWKMLNLKMQAR-UHFFFAOYSA-N 1 0 518.477 3.691 50 0 KHAARO C[N@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Cc1ccccc1 ZINC000040450530 554285496 /nfs/dbraw/zinc/28/54/96/554285496.db2.gz CISKWHNGPBROAT-UHFFFAOYSA-N 1 0 506.466 3.549 50 0 KHAARO CC[N@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Cc1ccccc1 ZINC000040450540 554285466 /nfs/dbraw/zinc/28/54/66/554285466.db2.gz VEWMUDOQFLBESI-UHFFFAOYSA-N 1 0 520.493 3.939 50 0 KHAARO CCC[NH+](CCC)CCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450814 554285912 /nfs/dbraw/zinc/28/59/12/554285912.db2.gz UEJSTTQPZBLZGI-UHFFFAOYSA-N 1 0 530.529 3.540 50 0 KHAARO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C ZINC000043203898 554298083 /nfs/dbraw/zinc/29/80/83/554298083.db2.gz GWRSATNRNFYMDI-UHFFFAOYSA-N 1 0 561.609 3.553 50 0 in-man KHAARO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc21 ZINC000044144426 554301587 /nfs/dbraw/zinc/30/15/87/554301587.db2.gz TZIAELTXVOUHIQ-UHFFFAOYSA-N 1 0 520.493 3.591 50 0 KHAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044858607 554305799 /nfs/dbraw/zinc/30/57/99/554305799.db2.gz XZGTYZZQPLODGY-BHVANESWSA-N 1 0 529.106 3.876 50 0 KHAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044858611 554305936 /nfs/dbraw/zinc/30/59/36/554305936.db2.gz XZGTYZZQPLODGY-PSXMRANNSA-N 1 0 529.106 3.876 50 0 KHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044858615 554305997 /nfs/dbraw/zinc/30/59/97/554305997.db2.gz KJJNTQIFGZQDBH-BHVANESWSA-N 1 0 508.688 3.531 50 0 KHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044858619 554306006 /nfs/dbraw/zinc/30/60/06/554306006.db2.gz KJJNTQIFGZQDBH-PSXMRANNSA-N 1 0 508.688 3.531 50 0 KHAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000049605668 554323905 /nfs/dbraw/zinc/32/39/05/554323905.db2.gz IVWCYFMBUSWVQA-RSXGOPAZSA-N 1 0 570.616 3.680 50 0 KHAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000049605669 554324006 /nfs/dbraw/zinc/32/40/06/554324006.db2.gz IVWCYFMBUSWVQA-AHWVRZQESA-N 1 0 570.616 3.680 50 0 KHAARO S=C(NCCN1CCN(C(=S)NC23CC4CC(CC(C4)C2)C3)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000052521549 554329810 /nfs/dbraw/zinc/32/98/10/554329810.db2.gz MMKNOTUTLUGISW-UHFFFAOYSA-N 1 0 515.837 3.880 50 0 KHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000059485826 554397801 /nfs/dbraw/zinc/39/78/01/554397801.db2.gz SQENOGOMTDMMCZ-RRWMQESRSA-N 1 0 507.546 3.738 50 0 biogenic KHAARO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000059515139 554402510 /nfs/dbraw/zinc/40/25/10/554402510.db2.gz HGQMNLXBMWISHV-FQEVSTJZSA-N 1 0 540.549 3.877 50 0 KHAARO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000059515140 554402550 /nfs/dbraw/zinc/40/25/50/554402550.db2.gz HGQMNLXBMWISHV-HXUWFJFHSA-N 1 0 540.549 3.877 50 0 KHAARO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000059515205 554402864 /nfs/dbraw/zinc/40/28/64/554402864.db2.gz YBOHJPGJKXTGII-FQEVSTJZSA-N 1 0 540.549 3.877 50 0 KHAARO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000059515206 554402850 /nfs/dbraw/zinc/40/28/50/554402850.db2.gz YBOHJPGJKXTGII-HXUWFJFHSA-N 1 0 540.549 3.877 50 0 KHAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000059524679 554405628 /nfs/dbraw/zinc/40/56/28/554405628.db2.gz BDYCAKQOEJYFIW-OAQYLSRUSA-N 1 0 594.963 3.689 50 0 KHAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000059524682 554405671 /nfs/dbraw/zinc/40/56/71/554405671.db2.gz BDYCAKQOEJYFIW-NRFANRHFSA-N 1 0 594.963 3.689 50 0 KHAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000059596607 554408754 /nfs/dbraw/zinc/40/87/54/554408754.db2.gz YKWIOVOLBUYOAC-XMMPIXPASA-N 1 0 572.131 3.657 50 0 KHAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000059596610 554409206 /nfs/dbraw/zinc/40/92/06/554409206.db2.gz YKWIOVOLBUYOAC-DEOSSOPVSA-N 1 0 572.131 3.657 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@H](C)O1 ZINC000060209296 554502977 /nfs/dbraw/zinc/50/29/77/554502977.db2.gz HZGVIUOYVDDVEJ-CALCHBBNSA-N 1 0 537.107 3.956 50 0 KHAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@H](C)O1 ZINC000060209297 554503104 /nfs/dbraw/zinc/50/31/04/554503104.db2.gz HZGVIUOYVDDVEJ-IRXDYDNUSA-N 1 0 537.107 3.956 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4ccc(Cl)cc4s3)cc2)C[C@@H](C)O1 ZINC000060209298 554503006 /nfs/dbraw/zinc/50/30/06/554503006.db2.gz HZGVIUOYVDDVEJ-IAGOWNOFSA-N 1 0 537.107 3.956 50 0 KHAARO CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000060209313 554503072 /nfs/dbraw/zinc/50/30/72/554503072.db2.gz ZENLHFGHUCPGET-IBGZPJMESA-N 1 0 537.107 3.958 50 0 KHAARO CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000060209314 554503154 /nfs/dbraw/zinc/50/31/54/554503154.db2.gz ZENLHFGHUCPGET-LJQANCHMSA-N 1 0 537.107 3.958 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000060209412 554503202 /nfs/dbraw/zinc/50/32/02/554503202.db2.gz PFQVABZKMJKOAU-CALCHBBNSA-N 1 0 537.107 3.956 50 0 KHAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000060209413 554502971 /nfs/dbraw/zinc/50/29/71/554502971.db2.gz PFQVABZKMJKOAU-IRXDYDNUSA-N 1 0 537.107 3.956 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@@H](C)O1 ZINC000060209414 554503123 /nfs/dbraw/zinc/50/31/23/554503123.db2.gz PFQVABZKMJKOAU-IAGOWNOFSA-N 1 0 537.107 3.956 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)CC1 ZINC000060209421 554503214 /nfs/dbraw/zinc/50/32/14/554503214.db2.gz GYZNTAWTMHFACT-UHFFFAOYSA-N 1 0 580.132 3.621 50 0 KHAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060209436 554503162 /nfs/dbraw/zinc/50/31/62/554503162.db2.gz JSLCOEYZFJEEKI-UHFFFAOYSA-N 1 0 530.672 3.798 50 0 KHAARO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCO5)cc2)CC1 ZINC000060209448 554503190 /nfs/dbraw/zinc/50/31/90/554503190.db2.gz ZVMZJLSDFCPZQU-UHFFFAOYSA-N 1 0 530.672 3.654 50 0 KHAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCO5)cc2)C1 ZINC000060209449 554503433 /nfs/dbraw/zinc/50/34/33/554503433.db2.gz KACFGHGSLNBFIF-QGZVFWFLSA-N 1 0 530.672 3.654 50 0 KHAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCO5)cc2)C1 ZINC000060209450 554503449 /nfs/dbraw/zinc/50/34/49/554503449.db2.gz KACFGHGSLNBFIF-KRWDZBQOSA-N 1 0 530.672 3.654 50 0 KHAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209451 554503359 /nfs/dbraw/zinc/50/33/59/554503359.db2.gz PZUUOZJQOITKKA-QGZVFWFLSA-N 1 0 530.672 3.797 50 0 KHAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209452 554503407 /nfs/dbraw/zinc/50/34/07/554503407.db2.gz PZUUOZJQOITKKA-KRWDZBQOSA-N 1 0 530.672 3.797 50 0 KHAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060209466 554503309 /nfs/dbraw/zinc/50/33/09/554503309.db2.gz IFXAXXRUJHXFAQ-UHFFFAOYSA-N 1 0 544.699 3.841 50 0 KHAARO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)CC1 ZINC000060209475 554503345 /nfs/dbraw/zinc/50/33/45/554503345.db2.gz JXVMOEAOJFRKIX-UHFFFAOYSA-N 1 0 544.699 3.697 50 0 KHAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)C1 ZINC000060209476 554503340 /nfs/dbraw/zinc/50/33/40/554503340.db2.gz TURRXQGEYLGINL-GOSISDBHSA-N 1 0 544.699 3.697 50 0 KHAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4cc5c(cc4s3)OCCO5)cc2)C1 ZINC000060209477 554503305 /nfs/dbraw/zinc/50/33/05/554503305.db2.gz TURRXQGEYLGINL-SFHVURJKSA-N 1 0 544.699 3.697 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@H](C)O1 ZINC000060209634 554503379 /nfs/dbraw/zinc/50/33/79/554503379.db2.gz CJZTUGMZWHOBBH-IYBDPMFKSA-N 1 0 538.642 3.581 50 0 KHAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@H](C)O1 ZINC000060209635 554503365 /nfs/dbraw/zinc/50/33/65/554503365.db2.gz CJZTUGMZWHOBBH-HOTGVXAUSA-N 1 0 538.642 3.581 50 0 KHAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(cc(F)cc4F)s3)cc2)C[C@@H](C)O1 ZINC000060209636 554503334 /nfs/dbraw/zinc/50/33/34/554503334.db2.gz CJZTUGMZWHOBBH-HZPDHXFCSA-N 1 0 538.642 3.581 50 0 KHAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](CC)CC)c3nc4c(cccc4F)s3)cc2)CC1 ZINC000060209982 554503637 /nfs/dbraw/zinc/50/36/37/554503637.db2.gz BKMSSSXTEXTXKF-UHFFFAOYSA-N 1 0 591.731 3.887 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210032 554503728 /nfs/dbraw/zinc/50/37/28/554503728.db2.gz UYJNWSGPSNHPOE-UHFFFAOYSA-N 1 0 530.672 3.798 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210036 554503950 /nfs/dbraw/zinc/50/39/50/554503950.db2.gz BVFLYALRYPSOGZ-KDURUIRLSA-N 1 0 574.725 3.812 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210037 554503975 /nfs/dbraw/zinc/50/39/75/554503975.db2.gz BVFLYALRYPSOGZ-RTBURBONSA-N 1 0 574.725 3.812 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210038 554503911 /nfs/dbraw/zinc/50/39/11/554503911.db2.gz BVFLYALRYPSOGZ-OALUTQOASA-N 1 0 574.725 3.812 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210070 554504106 /nfs/dbraw/zinc/50/41/06/554504106.db2.gz LBVAZOVYKALXQQ-UHFFFAOYSA-N 1 0 544.699 3.841 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210074 554503991 /nfs/dbraw/zinc/50/39/91/554503991.db2.gz VZJFHOHKCLQAHQ-BGYRXZFFSA-N 1 0 588.752 3.854 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210075 554504028 /nfs/dbraw/zinc/50/40/28/554504028.db2.gz VZJFHOHKCLQAHQ-WOJBJXKFSA-N 1 0 588.752 3.854 50 0 KHAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210076 554504068 /nfs/dbraw/zinc/50/40/68/554504068.db2.gz VZJFHOHKCLQAHQ-PMACEKPBSA-N 1 0 588.752 3.854 50 0 KHAARO O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC000060325170 554505531 /nfs/dbraw/zinc/50/55/31/554505531.db2.gz BSMCAPRUBJMWDF-KRWDZBQOSA-N 1 0 531.316 3.781 50 0 fda KHAARO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000061999351 554506077 /nfs/dbraw/zinc/50/60/77/554506077.db2.gz IWFBVFXBYUHHJW-RRWMQESRSA-N 1 0 509.562 3.718 50 0 biogenic KHAARO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000061999381 554506395 /nfs/dbraw/zinc/50/63/95/554506395.db2.gz GFVGSZYUHYHJSG-RGRUVFKLSA-N 1 0 507.546 3.738 50 0 biogenic KHAARO CC[NH+](CC)CCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(OC)cc3)c2NC(C)(C)C)s1 ZINC000064703508 554513847 /nfs/dbraw/zinc/51/38/47/554513847.db2.gz QWPFJAAFSSLAKH-UHFFFAOYSA-N 1 0 501.701 3.961 50 0 KHAARO COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)[NH+](C)C)cc1 ZINC000066129297 554528869 /nfs/dbraw/zinc/52/88/69/554528869.db2.gz VTWBPEYZNDUMAX-MHZLTWQESA-N 1 0 557.116 3.892 50 0 KHAARO COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)[NH+](C)C)cc1 ZINC000066129299 554528798 /nfs/dbraw/zinc/52/87/98/554528798.db2.gz VTWBPEYZNDUMAX-HHHXNRCGSA-N 1 0 557.116 3.892 50 0 KHAARO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000068120928 554538571 /nfs/dbraw/zinc/53/85/71/554538571.db2.gz MGGBYMDAPCCKCT-UHFFFAOYSA-N 1 0 580.759 3.766 50 0 investigational KHAARO CN1C(=O)N(C)C(=O)C(Cc2cn(Cc3ccccc3)c3ccccc23)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000070670152 553600640 /nfs/dbraw/zinc/60/06/40/553600640.db2.gz RUSKPGPMAGLNKE-RPBOFIJWSA-N 1 0 577.685 3.550 50 0 biogenic KHAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3cccc4ccccc43)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670217 553600867 /nfs/dbraw/zinc/60/08/67/553600867.db2.gz VTGBWQUPDWFOIK-MNSKVMIUSA-N 1 0 560.654 3.928 50 0 biogenic KHAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3cccc4ccccc43)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670218 553600894 /nfs/dbraw/zinc/60/08/94/553600894.db2.gz VTGBWQUPDWFOIK-YPESTHEKSA-N 1 0 560.654 3.928 50 0 biogenic KHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@]21O ZINC000070673216 553603428 /nfs/dbraw/zinc/60/34/28/553603428.db2.gz OJGQVUNCDWSLLG-BSWFFRQDSA-N 1 0 548.724 3.776 50 0 biogenic KHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@]21O ZINC000070673218 553603444 /nfs/dbraw/zinc/60/34/44/553603444.db2.gz OJGQVUNCDWSLLG-DTPMOPKRSA-N 1 0 548.724 3.776 50 0 biogenic KHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@]21O ZINC000070673223 553603413 /nfs/dbraw/zinc/60/34/13/553603413.db2.gz OJGQVUNCDWSLLG-FTFRXCRBSA-N 1 0 548.724 3.776 50 0 biogenic KHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@]21O ZINC000070673225 553603584 /nfs/dbraw/zinc/60/35/84/553603584.db2.gz OJGQVUNCDWSLLG-DWIVKANCSA-N 1 0 548.724 3.776 50 0 biogenic KHAARO CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](C[NH+]4CCCCC4)[C@@H]3CC[C@@]5(C)O)[C@@H]21 ZINC000070692061 553609335 /nfs/dbraw/zinc/60/93/35/553609335.db2.gz BMDQWPICGOIWPR-USIDNGEBSA-N 1 0 637.814 3.954 50 0 biogenic KHAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692318 553610868 /nfs/dbraw/zinc/61/08/68/553610868.db2.gz JJKATDSZJFBADD-YKEGNUIGSA-N 1 0 541.007 3.993 50 0 biogenic KHAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692319 553610799 /nfs/dbraw/zinc/61/07/99/553610799.db2.gz JJKATDSZJFBADD-SOFFMGJWSA-N 1 0 541.007 3.993 50 0 biogenic KHAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692320 553611152 /nfs/dbraw/zinc/61/11/52/553611152.db2.gz JJKATDSZJFBADD-LFNVBFKESA-N 1 0 541.007 3.993 50 0 biogenic KHAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070692321 553611157 /nfs/dbraw/zinc/61/11/57/553611157.db2.gz JJKATDSZJFBADD-YXMNTCDSSA-N 1 0 541.007 3.993 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070697493 553612802 /nfs/dbraw/zinc/61/28/02/553612802.db2.gz PLVYGCLVPQZIFZ-MVPDCNEZSA-N 1 0 529.980 3.741 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070697625 553612994 /nfs/dbraw/zinc/61/29/94/553612994.db2.gz IOSRRQIAKBTPCU-XKKSJELASA-N 1 0 529.980 3.603 50 0 biogenic KHAARO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000070697791 553613385 /nfs/dbraw/zinc/61/33/85/553613385.db2.gz ITYDIIWJURGXJP-WENIATCFSA-N 1 0 529.980 3.587 50 0 biogenic KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070698480 553614398 /nfs/dbraw/zinc/61/43/98/553614398.db2.gz VHOYRWVXANMKGE-PUMORYBASA-N 1 0 544.007 3.993 50 0 biogenic KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699294 553615920 /nfs/dbraw/zinc/61/59/20/553615920.db2.gz DCNZOUZVSZWKDG-MFUXGYHDSA-N 1 0 518.573 3.847 50 0 biogenic KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699624 553616548 /nfs/dbraw/zinc/61/65/48/553616548.db2.gz BQISCCZYILXTSA-BESNRVDSSA-N 1 0 548.599 3.821 50 0 biogenic KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699625 553616563 /nfs/dbraw/zinc/61/65/63/553616563.db2.gz BQISCCZYILXTSA-WEBZSHJMSA-N 1 0 548.599 3.821 50 0 biogenic KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699627 553616525 /nfs/dbraw/zinc/61/65/25/553616525.db2.gz BQISCCZYILXTSA-ACIRYHQQSA-N 1 0 548.599 3.821 50 0 biogenic KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000070699629 553616539 /nfs/dbraw/zinc/61/65/39/553616539.db2.gz BQISCCZYILXTSA-XTQYNZLPSA-N 1 0 548.599 3.821 50 0 biogenic KHAARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070699829 553617160 /nfs/dbraw/zinc/61/71/60/553617160.db2.gz YQUDPPSPVKGPJG-VVPNKDTJSA-N 1 0 548.599 3.724 50 0 biogenic KHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070699832 553617070 /nfs/dbraw/zinc/61/70/70/553617070.db2.gz YQUDPPSPVKGPJG-YIZCCYSQSA-N 1 0 548.599 3.724 50 0 biogenic KHAARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070699835 553617054 /nfs/dbraw/zinc/61/70/54/553617054.db2.gz YQUDPPSPVKGPJG-FOLYNEBTSA-N 1 0 548.599 3.724 50 0 biogenic KHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070699837 553617115 /nfs/dbraw/zinc/61/71/15/553617115.db2.gz YQUDPPSPVKGPJG-WZUKXRJWSA-N 1 0 548.599 3.724 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700479 553618558 /nfs/dbraw/zinc/61/85/58/553618558.db2.gz KFGYFUABRHPIOH-IDCDSMMUSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700480 553618525 /nfs/dbraw/zinc/61/85/25/553618525.db2.gz KFGYFUABRHPIOH-CHCBTGSZSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700493 553618481 /nfs/dbraw/zinc/61/84/81/553618481.db2.gz KFGYFUABRHPIOH-HNFJUSDZSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700496 553618568 /nfs/dbraw/zinc/61/85/68/553618568.db2.gz KFGYFUABRHPIOH-MVPDCNEZSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700730 553619094 /nfs/dbraw/zinc/61/90/94/553619094.db2.gz IIHRBBSXOWQSNC-GBXYDCMPSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700732 553619148 /nfs/dbraw/zinc/61/91/48/553619148.db2.gz IIHRBBSXOWQSNC-ANARSLNQSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700735 553619181 /nfs/dbraw/zinc/61/91/81/553619181.db2.gz IIHRBBSXOWQSNC-APSVEGKFSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070700737 553619073 /nfs/dbraw/zinc/61/90/73/553619073.db2.gz IIHRBBSXOWQSNC-JLMYGFKKSA-N 1 0 526.980 3.998 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070701004 553620225 /nfs/dbraw/zinc/62/02/25/553620225.db2.gz AQAXVSXRTIGQKY-ZGQJUUMOSA-N 1 0 520.589 3.961 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705149 553624760 /nfs/dbraw/zinc/62/47/60/553624760.db2.gz FJMKGXIUJXDRSC-SHJMPOBASA-N 1 0 554.990 3.760 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705153 553624865 /nfs/dbraw/zinc/62/48/65/553624865.db2.gz FJMKGXIUJXDRSC-QXQHHZKDSA-N 1 0 554.990 3.760 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705156 553624803 /nfs/dbraw/zinc/62/48/03/553624803.db2.gz FJMKGXIUJXDRSC-AKKJASCUSA-N 1 0 554.990 3.760 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000070705159 553624832 /nfs/dbraw/zinc/62/48/32/553624832.db2.gz FJMKGXIUJXDRSC-ZCTJEENXSA-N 1 0 554.990 3.760 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705232 553624840 /nfs/dbraw/zinc/62/48/40/553624840.db2.gz COQOVWCOLFFINH-ZASNTINBSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705235 553624849 /nfs/dbraw/zinc/62/48/49/553624849.db2.gz COQOVWCOLFFINH-ZRIOWSNCSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705239 553624750 /nfs/dbraw/zinc/62/47/50/553624750.db2.gz COQOVWCOLFFINH-YDXRHMNESA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070705240 553624815 /nfs/dbraw/zinc/62/48/15/553624815.db2.gz COQOVWCOLFFINH-SODQHWRNSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705380 553625373 /nfs/dbraw/zinc/62/53/73/553625373.db2.gz ZNUNINODJIXIFE-CPBHOCDRSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705384 553625339 /nfs/dbraw/zinc/62/53/39/553625339.db2.gz ZNUNINODJIXIFE-YTEUAAESSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705385 553625357 /nfs/dbraw/zinc/62/53/57/553625357.db2.gz ZNUNINODJIXIFE-YRIIQKNPSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070705388 553625307 /nfs/dbraw/zinc/62/53/07/553625307.db2.gz ZNUNINODJIXIFE-TUAOVVRQSA-N 1 0 554.990 3.914 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705546 553625796 /nfs/dbraw/zinc/62/57/96/553625796.db2.gz MMNUQQYQOPVVFV-RQYFMHENSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705548 553625824 /nfs/dbraw/zinc/62/58/24/553625824.db2.gz MMNUQQYQOPVVFV-VGQFRJMESA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705550 553625867 /nfs/dbraw/zinc/62/58/67/553625867.db2.gz MMNUQQYQOPVVFV-MOLUGRFGSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000070705552 553625809 /nfs/dbraw/zinc/62/58/09/553625809.db2.gz MMNUQQYQOPVVFV-NVNPJPSRSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000070705824 553626733 /nfs/dbraw/zinc/62/67/33/553626733.db2.gz YCGSGWVEFHDMJF-CRFMIDIVSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000070705826 553626680 /nfs/dbraw/zinc/62/66/80/553626680.db2.gz YCGSGWVEFHDMJF-TWNJKGIPSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000070705829 553626720 /nfs/dbraw/zinc/62/67/20/553626720.db2.gz YCGSGWVEFHDMJF-SFDBNFMMSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000070705832 553626694 /nfs/dbraw/zinc/62/66/94/553626694.db2.gz YCGSGWVEFHDMJF-ROPNYJAFSA-N 1 0 554.990 3.776 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706170 553627221 /nfs/dbraw/zinc/62/72/21/553627221.db2.gz IWQPULVMROQYLD-SHJMPOBASA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706172 553627464 /nfs/dbraw/zinc/62/74/64/553627464.db2.gz IWQPULVMROQYLD-QXQHHZKDSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706175 553627488 /nfs/dbraw/zinc/62/74/88/553627488.db2.gz IWQPULVMROQYLD-AKKJASCUSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706178 553627458 /nfs/dbraw/zinc/62/74/58/553627458.db2.gz IWQPULVMROQYLD-ZCTJEENXSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706585 553628273 /nfs/dbraw/zinc/62/82/73/553628273.db2.gz HTKSYLRHCHFDLG-CTQZMECCSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706588 553628247 /nfs/dbraw/zinc/62/82/47/553628247.db2.gz HTKSYLRHCHFDLG-LKYDWOEASA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706591 553628229 /nfs/dbraw/zinc/62/82/29/553628229.db2.gz HTKSYLRHCHFDLG-GVVNTEAZSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000070706597 553628260 /nfs/dbraw/zinc/62/82/60/553628260.db2.gz HTKSYLRHCHFDLG-PFGOARBGSA-N 1 0 554.990 3.713 50 0 biogenic KHAARO COc1ccccc1N(C[C@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000071281370 553634762 /nfs/dbraw/zinc/63/47/62/553634762.db2.gz CAYWPYIINGNRKT-HSZRJFAPSA-N 1 0 531.074 3.888 50 0 KHAARO COc1ccccc1N(C[C@@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000071281372 553634649 /nfs/dbraw/zinc/63/46/49/553634649.db2.gz CAYWPYIINGNRKT-QHCPKHFHSA-N 1 0 531.074 3.888 50 0 KHAARO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)[nH]n3)cc2)CC1 ZINC000072178031 553645600 /nfs/dbraw/zinc/64/56/00/553645600.db2.gz RRKKHABFIOHAOI-UHFFFAOYSA-N 1 0 516.627 3.882 50 0 KHAARO Cc1c(NC(=O)OC[C@H]2COCC[NH2+]2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000072190221 553646022 /nfs/dbraw/zinc/64/60/22/553646022.db2.gz LUJZZYWHBDHDQX-JOCHJYFZSA-N 1 0 530.564 3.855 50 0 investigational KHAARO O=C(Nc1cc2c(Nc3ccc4c(Cc5ccc(F)cc5)n[nH]c4c3)ncnn2c1)OC[C@@H]1COCC[NH2+]1 ZINC000072194217 553645930 /nfs/dbraw/zinc/64/59/30/553645930.db2.gz VNNGPHISTFZVGO-FQEVSTJZSA-N 1 0 516.537 3.616 50 0 KHAARO [NH3+][C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000077271437 553656297 /nfs/dbraw/zinc/65/62/97/553656297.db2.gz NYQVYZZGZCNEMF-RPRIXWAOSA-N 1 0 540.815 3.746 50 0 in-vitro KHAARO CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1Cl ZINC000084617535 553677692 /nfs/dbraw/zinc/67/76/92/553677692.db2.gz YUAALFPUEOYPNX-UHFFFAOYSA-N 1 0 516.071 3.615 50 0 in-vitro KHAARO COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n2)ccc2c1CC[C@@H]([NH+]1CCOCC1)CC2 ZINC000084654307 553677973 /nfs/dbraw/zinc/67/79/73/553677973.db2.gz LAJAFFLJAJMYLK-CVOKMOJFSA-N 1 0 539.080 3.550 50 0 in-vitro KHAARO O=C1CCCN1c1ccc(CN2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000095483170 553702208 /nfs/dbraw/zinc/70/22/08/553702208.db2.gz JALSWMOMPNKHAI-MUUNZHRXSA-N 1 0 522.649 3.848 50 0 KHAARO C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC1=O ZINC000095670552 553707010 /nfs/dbraw/zinc/70/70/10/553707010.db2.gz YHVHQZYJGWGAKN-ZUWUZHNASA-N 1 0 779.983 3.707 50 0 in-vitro KHAARO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000095929260 553715189 /nfs/dbraw/zinc/71/51/89/553715189.db2.gz UFPFGVNKHCLJJO-SSKFGXFMSA-N 1 0 500.640 3.850 50 0 investigational KHAARO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000096174209 553727251 /nfs/dbraw/zinc/72/72/51/553727251.db2.gz HDAJDNHIBCDLQF-RUZDIDTESA-N 1 0 587.688 3.691 50 0 in-vitro KHAARO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(CC)cc(N4CC[NH+](CC)CC4)n3)c2)C1 ZINC000096211147 553729919 /nfs/dbraw/zinc/72/99/19/553729919.db2.gz GSOSIIBOQWGECT-QHCPKHFHSA-N 1 0 525.719 3.889 50 0 KHAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(CC)cc(N4CC[NH+](CC)CC4)n3)c2)C1 ZINC000096211148 553729904 /nfs/dbraw/zinc/72/99/04/553729904.db2.gz GSOSIIBOQWGECT-HSZRJFAPSA-N 1 0 525.719 3.889 50 0 KHAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)CC1 ZINC000096280030 553736573 /nfs/dbraw/zinc/73/65/73/553736573.db2.gz RCSCUVPLJOJXEK-UHFFFAOYSA-N 1 0 524.735 3.513 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000096822533 1066493339 /nfs/dbraw/zinc/49/33/39/1066493339.db2.gz PECRXJFYORLHIM-JYRVWZFOSA-N 1 0 500.640 3.794 50 0 KHAARO Cc1cc(Cl)ccc1OCC(=O)NCCCN1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000097948360 553793311 /nfs/dbraw/zinc/79/33/11/553793311.db2.gz IRYQVDYUZOIWNE-UHFFFAOYSA-N 1 0 565.542 3.698 50 0 KHAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000097954069 553821249 /nfs/dbraw/zinc/82/12/49/553821249.db2.gz UPIOUJRHAILFFP-UHFFFAOYSA-N 1 0 547.710 3.538 50 0 KHAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)CC1 ZINC000097955569 553831302 /nfs/dbraw/zinc/83/13/02/553831302.db2.gz HHHXFKRRKMUSLJ-GHUXWVSLSA-N 1 0 570.756 3.964 50 0 KHAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)CC1 ZINC000097955570 553831355 /nfs/dbraw/zinc/83/13/55/553831355.db2.gz HHHXFKRRKMUSLJ-JZILDOMLSA-N 1 0 570.756 3.964 50 0 KHAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)Cn5nc(C)c6ccccc6c5=O)ccc4n3C)CC2)cc1 ZINC000097955863 553834632 /nfs/dbraw/zinc/83/46/32/553834632.db2.gz FNTGLNRPLHBWSB-UHFFFAOYSA-N 1 0 549.679 3.903 50 0 KHAARO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000097956664 553840438 /nfs/dbraw/zinc/84/04/38/553840438.db2.gz IQCKJUKAQJINMK-HUBRGWSESA-N 1 0 618.577 3.615 50 0 in-vitro KHAARO Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccccc4)CC2)n3C)c(=O)c2ccccc12 ZINC000097956951 553843279 /nfs/dbraw/zinc/84/32/79/553843279.db2.gz SHHQPRBXTRNRQA-UHFFFAOYSA-N 1 0 535.652 3.595 50 0 KHAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963585 553892003 /nfs/dbraw/zinc/89/20/03/553892003.db2.gz KGWVSVTXCAXHAM-IYBDPMFKSA-N 1 0 549.715 3.744 50 0 KHAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963586 553892045 /nfs/dbraw/zinc/89/20/45/553892045.db2.gz KGWVSVTXCAXHAM-HOTGVXAUSA-N 1 0 549.715 3.744 50 0 KHAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000097963587 553891996 /nfs/dbraw/zinc/89/19/96/553891996.db2.gz KGWVSVTXCAXHAM-HZPDHXFCSA-N 1 0 549.715 3.744 50 0 KHAARO CC(=O)c1ccc(NC(=S)NCCCN2CC[NH+](CCCNC(=S)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000097981323 553993248 /nfs/dbraw/zinc/99/32/48/553993248.db2.gz NVIKHZKWKXNIKK-UHFFFAOYSA-N 1 0 554.786 3.763 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000097982590 554003655 /nfs/dbraw/zinc/00/36/55/554003655.db2.gz DRDBTCZGSXVLFM-UHFFFAOYSA-N 1 0 574.744 3.600 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC)cc2OC)CC1 ZINC000097982591 554003658 /nfs/dbraw/zinc/00/36/58/554003658.db2.gz OXOXZIWFFZRSQX-UKTHLTGXSA-N 1 0 542.702 3.672 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995447 554034932 /nfs/dbraw/zinc/03/49/32/554034932.db2.gz LENCEFCQRSFUSM-HHHXNRCGSA-N 1 0 623.776 3.570 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995448 554035022 /nfs/dbraw/zinc/03/50/22/554035022.db2.gz LENCEFCQRSFUSM-MHZLTWQESA-N 1 0 623.776 3.570 50 0 KHAARO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005093 554056818 /nfs/dbraw/zinc/05/68/18/554056818.db2.gz DQWQQZLGVYVIAK-ZCYQVOJMSA-N 1 0 632.787 3.514 50 0 KHAARO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005094 554056884 /nfs/dbraw/zinc/05/68/84/554056884.db2.gz DQWQQZLGVYVIAK-UKILVPOCSA-N 1 0 632.787 3.514 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000098006373 554061792 /nfs/dbraw/zinc/06/17/92/554061792.db2.gz MQORFJWRNILJKM-ZCZAQENUSA-N 1 0 548.643 3.642 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098007028 554062380 /nfs/dbraw/zinc/06/23/80/554062380.db2.gz OXQWRDPRSYEMRK-CJYIORQLSA-N 1 0 562.670 3.637 50 0 KHAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012094 554087395 /nfs/dbraw/zinc/08/73/95/554087395.db2.gz IMEISUIRVQNIBH-HHHXNRCGSA-N 1 0 579.723 3.754 50 0 KHAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012095 554087629 /nfs/dbraw/zinc/08/76/29/554087629.db2.gz IMEISUIRVQNIBH-MHZLTWQESA-N 1 0 579.723 3.754 50 0 KHAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)n2)CC1 ZINC000098015062 554095612 /nfs/dbraw/zinc/09/56/12/554095612.db2.gz HCWBAZKZDCDWJD-UHFFFAOYSA-N 1 0 546.741 3.640 50 0 KHAARO COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000098015245 554097259 /nfs/dbraw/zinc/09/72/59/554097259.db2.gz GWCAZVLGWAWYKN-UHFFFAOYSA-N 1 0 538.693 3.672 50 0 KHAARO CC[C@@H](CO)[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048125 554159825 /nfs/dbraw/zinc/15/98/25/554159825.db2.gz FHTMETYSLCJRQS-GJZGRUSLSA-N 1 0 564.205 3.725 50 0 KHAARO CC[C@H](CO)[NH2+]C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048126 554159931 /nfs/dbraw/zinc/15/99/31/554159931.db2.gz FHTMETYSLCJRQS-CABCVRRESA-N 1 0 564.205 3.725 50 0 KHAARO CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048127 554159917 /nfs/dbraw/zinc/15/99/17/554159917.db2.gz FHTMETYSLCJRQS-LSDHHAIUSA-N 1 0 564.205 3.725 50 0 KHAARO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048128 554159913 /nfs/dbraw/zinc/15/99/13/554159913.db2.gz FHTMETYSLCJRQS-HUUCEWRRSA-N 1 0 564.205 3.725 50 0 KHAARO C[NH2+][C@@H](CNC(=O)N1CCC[C@H]([C@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@@H]1CCCOC1 ZINC000098088356 554176886 /nfs/dbraw/zinc/17/68/86/554176886.db2.gz NXWASIVXQMMPLM-NAMDQGSHSA-N 1 0 525.090 3.580 50 0 KHAARO O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000100126650 554224993 /nfs/dbraw/zinc/22/49/93/554224993.db2.gz GRCBYJFCMGRXMA-UHFFFAOYSA-N 1 0 536.665 3.950 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000100151470 554231799 /nfs/dbraw/zinc/23/17/99/554231799.db2.gz RJCXHRKTFLCZRJ-ALHGIDGMSA-N 1 0 528.996 3.838 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100164693 554236268 /nfs/dbraw/zinc/23/62/68/554236268.db2.gz MQORFJWRNILJKM-NRCOVMQDSA-N 1 0 548.643 3.642 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100166584 554236816 /nfs/dbraw/zinc/23/68/16/554236816.db2.gz OXQWRDPRSYEMRK-JBRONXBDSA-N 1 0 562.670 3.637 50 0 KHAARO O=C(CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000100166595 554236813 /nfs/dbraw/zinc/23/68/13/554236813.db2.gz YGUJCLINQPHMLA-ILQCLMRVSA-N 1 0 596.687 3.834 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100182309 554241934 /nfs/dbraw/zinc/24/19/34/554241934.db2.gz PGZILDWXWNYEMZ-FXFRUQBKSA-N 1 0 605.695 3.600 50 0 KHAARO Cc1ccc(NC(=O)Cn2c3cc(=O)n(CCCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000100432321 554392415 /nfs/dbraw/zinc/39/24/15/554392415.db2.gz MUKMIQMFBPWWBK-UHFFFAOYSA-N 1 0 572.691 3.541 50 0 KHAARO COc1ccc(CCN2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1OC ZINC000100552059 554415113 /nfs/dbraw/zinc/41/51/13/554415113.db2.gz ZUBYGKHFFFCHHL-AREMUKBSSA-N 1 0 513.638 3.781 50 0 KHAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000100828256 554482215 /nfs/dbraw/zinc/48/22/15/554482215.db2.gz NEKUBHLVGAACMZ-UHFFFAOYSA-N 1 0 562.718 3.974 50 0 KHAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000100828262 554482312 /nfs/dbraw/zinc/48/23/12/554482312.db2.gz BGPFFLHWVVMIFL-UHFFFAOYSA-N 1 0 548.691 3.584 50 0 KHAARO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000100911009 554517574 /nfs/dbraw/zinc/51/75/74/554517574.db2.gz QRBKIRKKUKQYED-KRWDZBQOSA-N 1 0 549.715 3.746 50 0 KHAARO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000100911013 554517662 /nfs/dbraw/zinc/51/76/62/554517662.db2.gz QRBKIRKKUKQYED-QGZVFWFLSA-N 1 0 549.715 3.746 50 0 KHAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000100912263 554517881 /nfs/dbraw/zinc/51/78/81/554517881.db2.gz UDDMYZRDULGDAK-UHFFFAOYSA-N 1 0 529.515 3.536 50 0 KHAARO CC[NH+]1CCN(c2c(CN(CCCOC)S(=O)(=O)c3ccc(OC)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000100913316 554518820 /nfs/dbraw/zinc/51/88/20/554518820.db2.gz JMOSRQGHRGVHAZ-UHFFFAOYSA-N 1 0 541.718 3.559 50 0 KHAARO CCCN(CCO)C(=O)CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000100961825 554542603 /nfs/dbraw/zinc/54/26/03/554542603.db2.gz MBGZYWFOXIKSEX-BHBYDHKZSA-N 1 0 536.736 3.817 50 0 KHAARO O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000101034292 554565378 /nfs/dbraw/zinc/56/53/78/554565378.db2.gz SDNYBCFROMGFTN-IBGZPJMESA-N 1 0 507.226 3.661 50 0 KHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000101081183 554578996 /nfs/dbraw/zinc/57/89/96/554578996.db2.gz GFLJEJSRTGNQRG-UHFFFAOYSA-N 1 0 560.514 3.954 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101091483 554582858 /nfs/dbraw/zinc/58/28/58/554582858.db2.gz YAPHKTAXQNRXCF-KMGQHQDOSA-N 1 0 585.414 3.827 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101091485 554582862 /nfs/dbraw/zinc/58/28/62/554582862.db2.gz YAPHKTAXQNRXCF-PXMCIRSJSA-N 1 0 585.414 3.827 50 0 KHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000101103453 554639193 /nfs/dbraw/zinc/63/91/93/554639193.db2.gz XIQGAJBUTJUYFQ-XMMPIXPASA-N 1 0 577.545 3.793 50 0 KHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000101103456 554639351 /nfs/dbraw/zinc/63/93/51/554639351.db2.gz XIQGAJBUTJUYFQ-DEOSSOPVSA-N 1 0 577.545 3.793 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101108031 554640460 /nfs/dbraw/zinc/64/04/60/554640460.db2.gz UVEMAROZZPMCTC-UOJGMACNSA-N 1 0 548.599 3.821 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101108035 554640504 /nfs/dbraw/zinc/64/05/04/554640504.db2.gz UVEMAROZZPMCTC-XPZOENDESA-N 1 0 548.599 3.821 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101108039 554640475 /nfs/dbraw/zinc/64/04/75/554640475.db2.gz UVEMAROZZPMCTC-ZVJSOJQNSA-N 1 0 548.599 3.821 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101108041 554640490 /nfs/dbraw/zinc/64/04/90/554640490.db2.gz UVEMAROZZPMCTC-FBIDWWCOSA-N 1 0 548.599 3.821 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101109337 554641138 /nfs/dbraw/zinc/64/11/38/554641138.db2.gz MKLPAYLHDZRLPE-XZSHTLEFSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101109340 554641127 /nfs/dbraw/zinc/64/11/27/554641127.db2.gz MKLPAYLHDZRLPE-GURVGDRESA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101109343 554641099 /nfs/dbraw/zinc/64/10/99/554641099.db2.gz MKLPAYLHDZRLPE-PCEYSVKOSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101109347 554641131 /nfs/dbraw/zinc/64/11/31/554641131.db2.gz MKLPAYLHDZRLPE-ZGQJUUMOSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110089 554641390 /nfs/dbraw/zinc/64/13/90/554641390.db2.gz RSXWDBTWPRRKSO-XTQYNZLPSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110091 554641306 /nfs/dbraw/zinc/64/13/06/554641306.db2.gz RSXWDBTWPRRKSO-ACIRYHQQSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110094 554641350 /nfs/dbraw/zinc/64/13/50/554641350.db2.gz RSXWDBTWPRRKSO-WEBZSHJMSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110098 554641282 /nfs/dbraw/zinc/64/12/82/554641282.db2.gz RSXWDBTWPRRKSO-BESNRVDSSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101110110 554641275 /nfs/dbraw/zinc/64/12/75/554641275.db2.gz XGQZEHCONMMZNW-ACIRYHQQSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101110113 554641372 /nfs/dbraw/zinc/64/13/72/554641372.db2.gz XGQZEHCONMMZNW-XTQYNZLPSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101110115 554641328 /nfs/dbraw/zinc/64/13/28/554641328.db2.gz XGQZEHCONMMZNW-BESNRVDSSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101110116 554641287 /nfs/dbraw/zinc/64/12/87/554641287.db2.gz XGQZEHCONMMZNW-WEBZSHJMSA-N 1 0 548.599 3.878 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000101111157 554641628 /nfs/dbraw/zinc/64/16/28/554641628.db2.gz JCADTVNRVQLKOR-ZGQJUUMOSA-N 1 0 534.572 3.512 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000101111160 554641641 /nfs/dbraw/zinc/64/16/41/554641641.db2.gz JCADTVNRVQLKOR-PCEYSVKOSA-N 1 0 534.572 3.512 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000101111161 554641636 /nfs/dbraw/zinc/64/16/36/554641636.db2.gz JCADTVNRVQLKOR-GURVGDRESA-N 1 0 534.572 3.512 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000101111163 554641667 /nfs/dbraw/zinc/64/16/67/554641667.db2.gz JCADTVNRVQLKOR-XZSHTLEFSA-N 1 0 534.572 3.512 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101111334 554641681 /nfs/dbraw/zinc/64/16/81/554641681.db2.gz UCAKZIJOXGZYRH-OVDFTCDZSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101111337 554641659 /nfs/dbraw/zinc/64/16/59/554641659.db2.gz UCAKZIJOXGZYRH-ALBQUZEBSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101111339 554641979 /nfs/dbraw/zinc/64/19/79/554641979.db2.gz UCAKZIJOXGZYRH-MFUXGYHDSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101111342 554641939 /nfs/dbraw/zinc/64/19/39/554641939.db2.gz UCAKZIJOXGZYRH-BYBRNZAOSA-N 1 0 534.572 3.569 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000101117077 554643198 /nfs/dbraw/zinc/64/31/98/554643198.db2.gz VJAWRABMSDYDMX-QYOOZWMWSA-N 1 0 509.518 3.578 50 0 KHAARO COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101117080 554643180 /nfs/dbraw/zinc/64/31/80/554643180.db2.gz VJAWRABMSDYDMX-QUMGSSFMSA-N 1 0 509.518 3.578 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101202438 554673104 /nfs/dbraw/zinc/67/31/04/554673104.db2.gz NJFVTGFMZWOVIM-KBBGZRRDSA-N 1 0 618.606 3.559 50 0 biogenic KHAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101202443 554673118 /nfs/dbraw/zinc/67/31/18/554673118.db2.gz NJFVTGFMZWOVIM-YQXAMQIPSA-N 1 0 618.606 3.559 50 0 biogenic KHAARO CC[NH+](CC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101203887 554673905 /nfs/dbraw/zinc/67/39/05/554673905.db2.gz KFCGNHSESCCJPQ-ZKNIRDGJSA-N 1 0 543.108 3.610 50 0 biogenic KHAARO CC[NH+](CC)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101203890 554673902 /nfs/dbraw/zinc/67/39/02/554673902.db2.gz KFCGNHSESCCJPQ-JBBRWPJWSA-N 1 0 543.108 3.610 50 0 biogenic KHAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101205643 554675625 /nfs/dbraw/zinc/67/56/25/554675625.db2.gz FSSDOOXNORRSON-ZORDVFMASA-N 1 0 627.786 3.654 50 0 biogenic KHAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101205645 554675652 /nfs/dbraw/zinc/67/56/52/554675652.db2.gz FSSDOOXNORRSON-PWRLTIQESA-N 1 0 627.786 3.654 50 0 biogenic KHAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101216207 554682867 /nfs/dbraw/zinc/68/28/67/554682867.db2.gz BWSVETBWDVVNIE-JOCHJYFZSA-N 1 0 564.539 3.970 50 0 KHAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101216212 554682861 /nfs/dbraw/zinc/68/28/61/554682861.db2.gz BWSVETBWDVVNIE-QFIPXVFZSA-N 1 0 564.539 3.970 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216250 554683205 /nfs/dbraw/zinc/68/32/05/554683205.db2.gz ULWDMVGKLZSMBB-XMMPIXPASA-N 1 0 543.734 3.906 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216255 554683177 /nfs/dbraw/zinc/68/31/77/554683177.db2.gz ULWDMVGKLZSMBB-DEOSSOPVSA-N 1 0 543.734 3.906 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216259 554683157 /nfs/dbraw/zinc/68/31/57/554683157.db2.gz DSRXRYRVFSCDSM-HSZRJFAPSA-N 1 0 562.111 3.846 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216262 554683180 /nfs/dbraw/zinc/68/31/80/554683180.db2.gz DSRXRYRVFSCDSM-QHCPKHFHSA-N 1 0 562.111 3.846 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216280 554683212 /nfs/dbraw/zinc/68/32/12/554683212.db2.gz TXEUGXPAVZWBTM-AREMUKBSSA-N 1 0 597.807 3.944 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216283 554683218 /nfs/dbraw/zinc/68/32/18/554683218.db2.gz TXEUGXPAVZWBTM-SANMLTNESA-N 1 0 597.807 3.944 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216349 554683491 /nfs/dbraw/zinc/68/34/91/554683491.db2.gz VFHQFEXDRMANDT-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216353 554683505 /nfs/dbraw/zinc/68/35/05/554683505.db2.gz VFHQFEXDRMANDT-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216383 554683390 /nfs/dbraw/zinc/68/33/90/554683390.db2.gz LZFGVOWCWMYWFH-HSZRJFAPSA-N 1 0 532.085 3.838 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216386 554683498 /nfs/dbraw/zinc/68/34/98/554683498.db2.gz LZFGVOWCWMYWFH-QHCPKHFHSA-N 1 0 532.085 3.838 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216388 554683397 /nfs/dbraw/zinc/68/33/97/554683397.db2.gz UOOKEYMYSOEBSK-AREMUKBSSA-N 1 0 555.720 3.973 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216392 554683513 /nfs/dbraw/zinc/68/35/13/554683513.db2.gz UOOKEYMYSOEBSK-SANMLTNESA-N 1 0 555.720 3.973 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216409 554683630 /nfs/dbraw/zinc/68/36/30/554683630.db2.gz OSQMLYCNJLNWQA-HHHXNRCGSA-N 1 0 567.756 3.843 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216412 554683638 /nfs/dbraw/zinc/68/36/38/554683638.db2.gz OSQMLYCNJLNWQA-MHZLTWQESA-N 1 0 567.756 3.843 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216632 554684196 /nfs/dbraw/zinc/68/41/96/554684196.db2.gz XGQVDPGIVSTFAA-HHHXNRCGSA-N 1 0 595.766 3.621 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216637 554684260 /nfs/dbraw/zinc/68/42/60/554684260.db2.gz XGQVDPGIVSTFAA-MHZLTWQESA-N 1 0 595.766 3.621 50 0 KHAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216688 554684298 /nfs/dbraw/zinc/68/42/98/554684298.db2.gz CMKUGUVJHISFRI-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216694 554684284 /nfs/dbraw/zinc/68/42/84/554684284.db2.gz CMKUGUVJHISFRI-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101232310 554689647 /nfs/dbraw/zinc/68/96/47/554689647.db2.gz GDNWFSDNPNJWKQ-HKBQPEDESA-N 1 0 543.668 3.607 50 0 KHAARO CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101232313 554689592 /nfs/dbraw/zinc/68/95/92/554689592.db2.gz GDNWFSDNPNJWKQ-WJOKGBTCSA-N 1 0 543.668 3.607 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000101233184 554689561 /nfs/dbraw/zinc/68/95/61/554689561.db2.gz WDMYXQJIFGPHOU-WGDIFIGCSA-N 1 0 561.477 3.902 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000101233188 554689680 /nfs/dbraw/zinc/68/96/80/554689680.db2.gz WDMYXQJIFGPHOU-MRDQGFSESA-N 1 0 561.477 3.902 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254092 554694485 /nfs/dbraw/zinc/69/44/85/554694485.db2.gz FJAWSIBNLDKSRU-VWLOTQADSA-N 1 0 552.697 3.935 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254094 554694464 /nfs/dbraw/zinc/69/44/64/554694464.db2.gz FJAWSIBNLDKSRU-RUZDIDTESA-N 1 0 552.697 3.935 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254593 554695258 /nfs/dbraw/zinc/69/52/58/554695258.db2.gz GAHAXCTXFGYYSG-XMMPIXPASA-N 1 0 574.147 3.716 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254596 554695152 /nfs/dbraw/zinc/69/51/52/554695152.db2.gz GAHAXCTXFGYYSG-DEOSSOPVSA-N 1 0 574.147 3.716 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254600 554695170 /nfs/dbraw/zinc/69/51/70/554695170.db2.gz VXGJLZPFYNHRFW-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254602 554695163 /nfs/dbraw/zinc/69/51/63/554695163.db2.gz VXGJLZPFYNHRFW-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254606 554695217 /nfs/dbraw/zinc/69/52/17/554695217.db2.gz NXLUXFJARBWGJE-RUZDIDTESA-N 1 0 555.770 3.776 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CC[NH+](C)CC2)cc1 ZINC000101254608 554695202 /nfs/dbraw/zinc/69/52/02/554695202.db2.gz NXLUXFJARBWGJE-VWLOTQADSA-N 1 0 555.770 3.776 50 0 KHAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254712 554695157 /nfs/dbraw/zinc/69/51/57/554695157.db2.gz GGDWLPRNDUANNO-RUZDIDTESA-N 1 0 541.693 3.583 50 0 KHAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254715 554695579 /nfs/dbraw/zinc/69/55/79/554695579.db2.gz GGDWLPRNDUANNO-VWLOTQADSA-N 1 0 541.693 3.583 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254744 554695528 /nfs/dbraw/zinc/69/55/28/554695528.db2.gz KDYLXUGANADELW-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254746 554695533 /nfs/dbraw/zinc/69/55/33/554695533.db2.gz KDYLXUGANADELW-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254767 554695547 /nfs/dbraw/zinc/69/55/47/554695547.db2.gz DFDDDJYRNCYDDD-RUZDIDTESA-N 1 0 586.158 3.875 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254769 554695572 /nfs/dbraw/zinc/69/55/72/554695572.db2.gz DFDDDJYRNCYDDD-VWLOTQADSA-N 1 0 586.158 3.875 50 0 KHAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254903 554695830 /nfs/dbraw/zinc/69/58/30/554695830.db2.gz UUIHNLYPRPRMRH-DEOSSOPVSA-N 1 0 588.572 3.816 50 0 KHAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254905 554695813 /nfs/dbraw/zinc/69/58/13/554695813.db2.gz UUIHNLYPRPRMRH-XMMPIXPASA-N 1 0 588.572 3.816 50 0 KHAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254909 554695772 /nfs/dbraw/zinc/69/57/72/554695772.db2.gz OBUIAEJTBHJCMA-QHCPKHFHSA-N 1 0 558.546 3.726 50 0 KHAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254911 554695783 /nfs/dbraw/zinc/69/57/83/554695783.db2.gz OBUIAEJTBHJCMA-HSZRJFAPSA-N 1 0 558.546 3.726 50 0 KHAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254913 554695819 /nfs/dbraw/zinc/69/58/19/554695819.db2.gz LGOFREFRRZNXKO-JOCHJYFZSA-N 1 0 562.509 3.557 50 0 KHAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254915 554695863 /nfs/dbraw/zinc/69/58/63/554695863.db2.gz LGOFREFRRZNXKO-QFIPXVFZSA-N 1 0 562.509 3.557 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254923 554695846 /nfs/dbraw/zinc/69/58/46/554695846.db2.gz WWWQGOUSLFXEMQ-DEOSSOPVSA-N 1 0 616.582 3.594 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254926 554695824 /nfs/dbraw/zinc/69/58/24/554695824.db2.gz WWWQGOUSLFXEMQ-XMMPIXPASA-N 1 0 616.582 3.594 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254950 554695940 /nfs/dbraw/zinc/69/59/40/554695940.db2.gz BOFQNNXBDBVOTL-XMMPIXPASA-N 1 0 588.572 3.816 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254953 554696136 /nfs/dbraw/zinc/69/61/36/554696136.db2.gz BOFQNNXBDBVOTL-DEOSSOPVSA-N 1 0 588.572 3.816 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254966 554696252 /nfs/dbraw/zinc/69/62/52/554696252.db2.gz NTAQMIOTFUKDBI-RUZDIDTESA-N 1 0 630.609 3.984 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254969 554696116 /nfs/dbraw/zinc/69/61/16/554696116.db2.gz NTAQMIOTFUKDBI-VWLOTQADSA-N 1 0 630.609 3.984 50 0 KHAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254972 554696235 /nfs/dbraw/zinc/69/62/35/554696235.db2.gz BRRFWARTUGZQEP-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254976 554696261 /nfs/dbraw/zinc/69/62/61/554696261.db2.gz BRRFWARTUGZQEP-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255365 554696428 /nfs/dbraw/zinc/69/64/28/554696428.db2.gz MCZDBAJZGSLCBQ-RUZDIDTESA-N 1 0 541.693 3.583 50 0 KHAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255371 554696487 /nfs/dbraw/zinc/69/64/87/554696487.db2.gz MCZDBAJZGSLCBQ-VWLOTQADSA-N 1 0 541.693 3.583 50 0 KHAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255389 554696753 /nfs/dbraw/zinc/69/67/53/554696753.db2.gz DLRWGNBEBMQYJD-XMMPIXPASA-N 1 0 544.121 3.707 50 0 KHAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255393 554696790 /nfs/dbraw/zinc/69/67/90/554696790.db2.gz DLRWGNBEBMQYJD-DEOSSOPVSA-N 1 0 544.121 3.707 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255470 554696721 /nfs/dbraw/zinc/69/67/21/554696721.db2.gz IQYWFUHXKBTQGC-RUZDIDTESA-N 1 0 552.697 3.935 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255476 554696700 /nfs/dbraw/zinc/69/67/00/554696700.db2.gz IQYWFUHXKBTQGC-VWLOTQADSA-N 1 0 552.697 3.935 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255497 554696798 /nfs/dbraw/zinc/69/67/98/554696798.db2.gz PGGRTEYLGSCINL-RUZDIDTESA-N 1 0 552.697 3.935 50 0 KHAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255503 554696678 /nfs/dbraw/zinc/69/66/78/554696678.db2.gz PGGRTEYLGSCINL-VWLOTQADSA-N 1 0 552.697 3.935 50 0 KHAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101255549 554696728 /nfs/dbraw/zinc/69/67/28/554696728.db2.gz MGUUEWBCLCHZFW-OAQYLSRUSA-N 1 0 550.512 3.580 50 0 KHAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101255552 554696806 /nfs/dbraw/zinc/69/68/06/554696806.db2.gz MGUUEWBCLCHZFW-NRFANRHFSA-N 1 0 550.512 3.580 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000101308170 554715977 /nfs/dbraw/zinc/71/59/77/554715977.db2.gz DZICIYTVAWFXMK-RRHHDSEZSA-N 1 0 522.388 3.862 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000101308177 554716186 /nfs/dbraw/zinc/71/61/86/554716186.db2.gz DZICIYTVAWFXMK-YHZQYDDPSA-N 1 0 522.388 3.862 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000101308184 554716140 /nfs/dbraw/zinc/71/61/40/554716140.db2.gz DZICIYTVAWFXMK-JLFWUPFSSA-N 1 0 522.388 3.862 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000101308190 554716121 /nfs/dbraw/zinc/71/61/21/554716121.db2.gz DZICIYTVAWFXMK-RJESQKRESA-N 1 0 522.388 3.862 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101312632 554720882 /nfs/dbraw/zinc/72/08/82/554720882.db2.gz GTHSUEMIAWOLAO-ZUVQJFRASA-N 1 0 525.458 3.718 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101312636 554720916 /nfs/dbraw/zinc/72/09/16/554720916.db2.gz GTHSUEMIAWOLAO-CQAGSAPUSA-N 1 0 525.458 3.718 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101312638 554720897 /nfs/dbraw/zinc/72/08/97/554720897.db2.gz GTHSUEMIAWOLAO-IMIIHFCZSA-N 1 0 525.458 3.718 50 0 KHAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101312641 554720912 /nfs/dbraw/zinc/72/09/12/554720912.db2.gz GTHSUEMIAWOLAO-MSZDEVHKSA-N 1 0 525.458 3.718 50 0 KHAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101317594 554724576 /nfs/dbraw/zinc/72/45/76/554724576.db2.gz SVRWIZXDYYZCMO-UHFFFAOYSA-N 1 0 550.100 3.952 50 0 KHAARO CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]31C(=O)Nc3ccccc31)CCC2 ZINC000101325748 554728908 /nfs/dbraw/zinc/72/89/08/554728908.db2.gz JGIADVWTMSGSDA-YJKJJXLUSA-N 1 0 541.629 3.581 50 0 KHAARO CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]31C(=O)Nc3ccccc31)CCC2 ZINC000101325753 554728944 /nfs/dbraw/zinc/72/89/44/554728944.db2.gz JGIADVWTMSGSDA-ARKIEBMJSA-N 1 0 541.629 3.581 50 0 KHAARO CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]31C(=O)Nc3ccccc31)CCC2 ZINC000101325757 554728961 /nfs/dbraw/zinc/72/89/61/554728961.db2.gz JGIADVWTMSGSDA-IOHLZXCOSA-N 1 0 541.629 3.581 50 0 KHAARO CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]31C(=O)Nc3ccccc31)CCC2 ZINC000101325758 554728981 /nfs/dbraw/zinc/72/89/81/554728981.db2.gz JGIADVWTMSGSDA-IEGWVXRMSA-N 1 0 541.629 3.581 50 0 KHAARO O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101329643 554730317 /nfs/dbraw/zinc/73/03/17/554730317.db2.gz ZOTZLRKHELHZAI-UHFFFAOYSA-N 1 0 607.633 3.992 50 0 KHAARO CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1 ZINC000101329893 554730695 /nfs/dbraw/zinc/73/06/95/554730695.db2.gz AITVBVYODXQBCU-UHFFFAOYSA-N 1 0 581.717 3.925 50 0 KHAARO Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1 ZINC000101329895 554730689 /nfs/dbraw/zinc/73/06/89/554730689.db2.gz ORHSTEKXUJUAOA-UHFFFAOYSA-N 1 0 567.690 3.671 50 0 KHAARO O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101329897 554730665 /nfs/dbraw/zinc/73/06/65/554730665.db2.gz XDSWMKCXGVVYIV-UHFFFAOYSA-N 1 0 585.749 3.731 50 0 KHAARO CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000101329904 554730708 /nfs/dbraw/zinc/73/07/08/554730708.db2.gz AVBAXKYDPVUNLF-UHFFFAOYSA-N 1 0 597.716 3.762 50 0 KHAARO Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)c(C)c1 ZINC000101329907 554730615 /nfs/dbraw/zinc/73/06/15/554730615.db2.gz BGONIDJRABYZSZ-UHFFFAOYSA-N 1 0 581.717 3.980 50 0 KHAARO O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101329912 554730650 /nfs/dbraw/zinc/73/06/50/554730650.db2.gz DRODJHNRDLOSAD-UHFFFAOYSA-N 1 0 571.653 3.502 50 0 KHAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)NC1CCCC1 ZINC000101330010 554730621 /nfs/dbraw/zinc/73/06/21/554730621.db2.gz TZYQXFSAUNOTIN-UHFFFAOYSA-N 1 0 593.728 3.665 50 0 KHAARO O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101330354 554731255 /nfs/dbraw/zinc/73/12/55/554731255.db2.gz NTMIRIUVWNQDPS-UHFFFAOYSA-N 1 0 585.680 3.892 50 0 KHAARO O=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101330761 554731425 /nfs/dbraw/zinc/73/14/25/554731425.db2.gz JTESUKFKAVJQRK-UHFFFAOYSA-N 1 0 556.638 3.746 50 0 KHAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000101341001 554735377 /nfs/dbraw/zinc/73/53/77/554735377.db2.gz YPAIOEMTLYSBHP-UHFFFAOYSA-N 1 0 552.654 3.528 50 0 KHAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000101341033 554735317 /nfs/dbraw/zinc/73/53/17/554735317.db2.gz PUJDWYIJDWODOE-UHFFFAOYSA-N 1 0 552.654 3.528 50 0 KHAARO Cc1ccc(Cn2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000101341211 554735738 /nfs/dbraw/zinc/73/57/38/554735738.db2.gz HLDMUPSRUFJEHV-UHFFFAOYSA-N 1 0 548.691 3.698 50 0 KHAARO Cc1ccccc1Cn1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000101341425 554735715 /nfs/dbraw/zinc/73/57/15/554735715.db2.gz WCWDDRIHJZRFDL-UHFFFAOYSA-N 1 0 548.691 3.698 50 0 KHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cccc(Nc4nc5ccccc5n5nnnc45)c3)CC2)c1 ZINC000101360846 554742452 /nfs/dbraw/zinc/74/24/52/554742452.db2.gz IDAXDSAOIBYNCU-UHFFFAOYSA-N 1 0 535.656 3.975 50 0 KHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc(Nc4nc5ccccc5n5nnnc45)cc3)CC2)c1 ZINC000101361675 554743274 /nfs/dbraw/zinc/74/32/74/554743274.db2.gz AJOOENMBYJRBHO-UHFFFAOYSA-N 1 0 535.656 3.975 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101384885 554749017 /nfs/dbraw/zinc/74/90/17/554749017.db2.gz LGCAMOACTWRKSG-XTQYNZLPSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101384889 554749029 /nfs/dbraw/zinc/74/90/29/554749029.db2.gz LGCAMOACTWRKSG-ACIRYHQQSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101384896 554748984 /nfs/dbraw/zinc/74/89/84/554748984.db2.gz LGCAMOACTWRKSG-WEBZSHJMSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101384902 554748969 /nfs/dbraw/zinc/74/89/69/554748969.db2.gz LGCAMOACTWRKSG-BESNRVDSSA-N 1 0 547.615 3.911 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000101385479 554749632 /nfs/dbraw/zinc/74/96/32/554749632.db2.gz GFMHPHQBITXXLU-GFGYWFAOSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000101385481 554749651 /nfs/dbraw/zinc/74/96/51/554749651.db2.gz GFMHPHQBITXXLU-YCYTWPSCSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000101385483 554749623 /nfs/dbraw/zinc/74/96/23/554749623.db2.gz GFMHPHQBITXXLU-MUSMBDMCSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]31)C(=O)N2 ZINC000101385486 554749658 /nfs/dbraw/zinc/74/96/58/554749658.db2.gz GFMHPHQBITXXLU-PTLRTPRYSA-N 1 0 548.599 3.669 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)c1 ZINC000101385506 554749681 /nfs/dbraw/zinc/74/96/81/554749681.db2.gz POZRZOQTBBSMDJ-GBXYDCMPSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)c1 ZINC000101385510 554749735 /nfs/dbraw/zinc/74/97/35/554749735.db2.gz POZRZOQTBBSMDJ-ANARSLNQSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)c1 ZINC000101385514 554749716 /nfs/dbraw/zinc/74/97/16/554749716.db2.gz POZRZOQTBBSMDJ-APSVEGKFSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)c1 ZINC000101385519 554749643 /nfs/dbraw/zinc/74/96/43/554749643.db2.gz POZRZOQTBBSMDJ-JLMYGFKKSA-N 1 0 526.980 3.998 50 0 KHAARO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101387447 554753160 /nfs/dbraw/zinc/75/31/60/554753160.db2.gz ZWVPDEQZRALXNA-YIZCCYSQSA-N 1 0 548.599 3.724 50 0 KHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101387451 554753168 /nfs/dbraw/zinc/75/31/68/554753168.db2.gz ZWVPDEQZRALXNA-VVPNKDTJSA-N 1 0 548.599 3.724 50 0 KHAARO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101387457 554753210 /nfs/dbraw/zinc/75/32/10/554753210.db2.gz ZWVPDEQZRALXNA-WZUKXRJWSA-N 1 0 548.599 3.724 50 0 KHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101387460 554753401 /nfs/dbraw/zinc/75/34/01/554753401.db2.gz ZWVPDEQZRALXNA-FOLYNEBTSA-N 1 0 548.599 3.724 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101387802 554753379 /nfs/dbraw/zinc/75/33/79/554753379.db2.gz DYCBCGJEMXOJHO-XZSHTLEFSA-N 1 0 518.573 3.847 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101387808 554753408 /nfs/dbraw/zinc/75/34/08/554753408.db2.gz DYCBCGJEMXOJHO-PCEYSVKOSA-N 1 0 518.573 3.847 50 0 KHAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101387812 554753413 /nfs/dbraw/zinc/75/34/13/554753413.db2.gz DYCBCGJEMXOJHO-ZGQJUUMOSA-N 1 0 518.573 3.847 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101388924 554753679 /nfs/dbraw/zinc/75/36/79/554753679.db2.gz RGTCLZAHQBUAES-VXVLLVOOSA-N 1 0 540.963 3.718 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101388927 554753673 /nfs/dbraw/zinc/75/36/73/554753673.db2.gz RGTCLZAHQBUAES-WENIATCFSA-N 1 0 540.963 3.718 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101388934 554753610 /nfs/dbraw/zinc/75/36/10/554753610.db2.gz RGTCLZAHQBUAES-ZFASCNIYSA-N 1 0 540.963 3.718 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101388940 554753616 /nfs/dbraw/zinc/75/36/16/554753616.db2.gz RGTCLZAHQBUAES-ZUWWUPDZSA-N 1 0 540.963 3.718 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101389068 554753800 /nfs/dbraw/zinc/75/38/00/554753800.db2.gz VXSPMTRZHHSUEC-XZSHTLEFSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101389073 554753788 /nfs/dbraw/zinc/75/37/88/554753788.db2.gz VXSPMTRZHHSUEC-GURVGDRESA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101389080 554753849 /nfs/dbraw/zinc/75/38/49/554753849.db2.gz VXSPMTRZHHSUEC-PCEYSVKOSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3C)cc1 ZINC000101389085 554753835 /nfs/dbraw/zinc/75/38/35/554753835.db2.gz VXSPMTRZHHSUEC-ZGQJUUMOSA-N 1 0 533.588 3.602 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390012 554754060 /nfs/dbraw/zinc/75/40/60/554754060.db2.gz PTXPZNZZBNRQDI-XZSHTLEFSA-N 1 0 520.589 3.961 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390016 554754111 /nfs/dbraw/zinc/75/41/11/554754111.db2.gz PTXPZNZZBNRQDI-ZGQJUUMOSA-N 1 0 520.589 3.961 50 0 KHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101390019 554754038 /nfs/dbraw/zinc/75/40/38/554754038.db2.gz PTXPZNZZBNRQDI-PCEYSVKOSA-N 1 0 520.589 3.961 50 0 KHAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390257 554754030 /nfs/dbraw/zinc/75/40/30/554754030.db2.gz RHSPXIGVAZSTAE-XTQYNZLPSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390261 554754087 /nfs/dbraw/zinc/75/40/87/554754087.db2.gz RHSPXIGVAZSTAE-ACIRYHQQSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390266 554754103 /nfs/dbraw/zinc/75/41/03/554754103.db2.gz RHSPXIGVAZSTAE-WEBZSHJMSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000101390268 554754024 /nfs/dbraw/zinc/75/40/24/554754024.db2.gz RHSPXIGVAZSTAE-BESNRVDSSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390504 554754301 /nfs/dbraw/zinc/75/43/01/554754301.db2.gz XAGUWEUGOILZHF-CKXMCULTSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390507 554754409 /nfs/dbraw/zinc/75/44/09/554754409.db2.gz XAGUWEUGOILZHF-WPQKMFINSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390510 554754387 /nfs/dbraw/zinc/75/43/87/554754387.db2.gz XAGUWEUGOILZHF-YSGXDJDMSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@H]31)C(=O)N2 ZINC000101390514 554754351 /nfs/dbraw/zinc/75/43/51/554754351.db2.gz XAGUWEUGOILZHF-QNNAYCHJSA-N 1 0 547.615 3.856 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390897 554754381 /nfs/dbraw/zinc/75/43/81/554754381.db2.gz VKCGAKGSUZPTSS-ZASNTINBSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390903 554754363 /nfs/dbraw/zinc/75/43/63/554754363.db2.gz VKCGAKGSUZPTSS-ZRIOWSNCSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390908 554754313 /nfs/dbraw/zinc/75/43/13/554754313.db2.gz VKCGAKGSUZPTSS-YDXRHMNESA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000101390913 554754321 /nfs/dbraw/zinc/75/43/21/554754321.db2.gz VKCGAKGSUZPTSS-SODQHWRNSA-N 1 0 554.006 3.947 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391142 554754269 /nfs/dbraw/zinc/75/42/69/554754269.db2.gz INFMZOKDRQGTML-IDCDSMMUSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391146 554754399 /nfs/dbraw/zinc/75/43/99/554754399.db2.gz INFMZOKDRQGTML-CHCBTGSZSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391151 554754566 /nfs/dbraw/zinc/75/45/66/554754566.db2.gz INFMZOKDRQGTML-HNFJUSDZSA-N 1 0 526.980 3.998 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)c1 ZINC000101391157 554754506 /nfs/dbraw/zinc/75/45/06/554754506.db2.gz INFMZOKDRQGTML-MVPDCNEZSA-N 1 0 526.980 3.998 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391340 554754775 /nfs/dbraw/zinc/75/47/75/554754775.db2.gz UQRYPVGZWLLCCE-CTQZMECCSA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391345 554754778 /nfs/dbraw/zinc/75/47/78/554754778.db2.gz UQRYPVGZWLLCCE-LKYDWOEASA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391350 554754794 /nfs/dbraw/zinc/75/47/94/554754794.db2.gz UQRYPVGZWLLCCE-GVVNTEAZSA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000101391353 554754809 /nfs/dbraw/zinc/75/48/09/554754809.db2.gz UQRYPVGZWLLCCE-PFGOARBGSA-N 1 0 554.990 3.760 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391428 554755038 /nfs/dbraw/zinc/75/50/38/554755038.db2.gz FWQJHPJFHQXZDV-XZSHTLEFSA-N 1 0 520.589 3.961 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391432 554754949 /nfs/dbraw/zinc/75/49/49/554754949.db2.gz FWQJHPJFHQXZDV-ZGQJUUMOSA-N 1 0 520.589 3.961 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)c1 ZINC000101391437 554754988 /nfs/dbraw/zinc/75/49/88/554754988.db2.gz FWQJHPJFHQXZDV-PCEYSVKOSA-N 1 0 520.589 3.961 50 0 KHAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391477 554754917 /nfs/dbraw/zinc/75/49/17/554754917.db2.gz UUTVXPBLASTPMZ-VVPNKDTJSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391482 554754971 /nfs/dbraw/zinc/75/49/71/554754971.db2.gz UUTVXPBLASTPMZ-YIZCCYSQSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391487 554754965 /nfs/dbraw/zinc/75/49/65/554754965.db2.gz UUTVXPBLASTPMZ-FOLYNEBTSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000101391494 554755031 /nfs/dbraw/zinc/75/50/31/554755031.db2.gz UUTVXPBLASTPMZ-WZUKXRJWSA-N 1 0 548.599 3.669 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)c1 ZINC000101392263 554756000 /nfs/dbraw/zinc/75/60/00/554756000.db2.gz UUWOXPVNPCBTJI-XZSHTLEFSA-N 1 0 520.589 3.961 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)c1 ZINC000101392268 554755945 /nfs/dbraw/zinc/75/59/45/554755945.db2.gz UUWOXPVNPCBTJI-PCEYSVKOSA-N 1 0 520.589 3.961 50 0 KHAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)c1 ZINC000101392272 554756019 /nfs/dbraw/zinc/75/60/19/554756019.db2.gz UUWOXPVNPCBTJI-ZGQJUUMOSA-N 1 0 520.589 3.961 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392322 554755959 /nfs/dbraw/zinc/75/59/59/554755959.db2.gz VMSNXNXFRGHQLI-ACIRYHQQSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392325 554755995 /nfs/dbraw/zinc/75/59/95/554755995.db2.gz VMSNXNXFRGHQLI-XTQYNZLPSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392331 554755980 /nfs/dbraw/zinc/75/59/80/554755980.db2.gz VMSNXNXFRGHQLI-BESNRVDSSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101392334 554755976 /nfs/dbraw/zinc/75/59/76/554755976.db2.gz VMSNXNXFRGHQLI-WEBZSHJMSA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392481 554756036 /nfs/dbraw/zinc/75/60/36/554756036.db2.gz FDRPPJHHXIOWSH-CPBHOCDRSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392484 554755955 /nfs/dbraw/zinc/75/59/55/554755955.db2.gz FDRPPJHHXIOWSH-YTEUAAESSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392486 554756030 /nfs/dbraw/zinc/75/60/30/554756030.db2.gz FDRPPJHHXIOWSH-YRIIQKNPSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101392490 554755947 /nfs/dbraw/zinc/75/59/47/554755947.db2.gz FDRPPJHHXIOWSH-TUAOVVRQSA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393075 554756280 /nfs/dbraw/zinc/75/62/80/554756280.db2.gz ILIWLGIVKAWZIS-OVDFTCDZSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393081 554756197 /nfs/dbraw/zinc/75/61/97/554756197.db2.gz ILIWLGIVKAWZIS-ALBQUZEBSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393084 554756304 /nfs/dbraw/zinc/75/63/04/554756304.db2.gz ILIWLGIVKAWZIS-MFUXGYHDSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000101393088 554756190 /nfs/dbraw/zinc/75/61/90/554756190.db2.gz ILIWLGIVKAWZIS-BYBRNZAOSA-N 1 0 533.588 3.602 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101393575 554756255 /nfs/dbraw/zinc/75/62/55/554756255.db2.gz YAPHKTAXQNRXCF-XOSJJEKJSA-N 1 0 585.414 3.827 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101393578 554756243 /nfs/dbraw/zinc/75/62/43/554756243.db2.gz YAPHKTAXQNRXCF-CVRJGYJLSA-N 1 0 585.414 3.827 50 0 KHAARO CCCC[N@H+](CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)Cc1ccccc1 ZINC000101415201 554764451 /nfs/dbraw/zinc/76/44/51/554764451.db2.gz WJDQWACBGRSXCZ-UHFFFAOYSA-N 1 0 538.714 3.745 50 0 KHAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415548 554764606 /nfs/dbraw/zinc/76/46/06/554764606.db2.gz KIEIMOLSXHLMNO-ZRZAMGCNSA-N 1 0 552.741 3.846 50 0 KHAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415552 554764601 /nfs/dbraw/zinc/76/46/01/554764601.db2.gz KIEIMOLSXHLMNO-GOTSBHOMSA-N 1 0 552.741 3.846 50 0 KHAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415556 554764612 /nfs/dbraw/zinc/76/46/12/554764612.db2.gz KIEIMOLSXHLMNO-DHIUTWEWSA-N 1 0 552.741 3.846 50 0 KHAARO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422878 554767706 /nfs/dbraw/zinc/76/77/06/554767706.db2.gz RQIYYPJHJQVIET-UHFFFAOYSA-N 1 0 568.653 3.967 50 0 KHAARO CCn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447899 554774747 /nfs/dbraw/zinc/77/47/47/554774747.db2.gz FZXDCCJGBFCKLT-UHFFFAOYSA-N 1 0 538.714 3.836 50 0 KHAARO CCn1cc(C(=O)NCC[N@H+](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448434 554774932 /nfs/dbraw/zinc/77/49/32/554774932.db2.gz WTDSXECITJICLB-UHFFFAOYSA-N 1 0 572.731 3.673 50 0 KHAARO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000101454555 554776460 /nfs/dbraw/zinc/77/64/60/554776460.db2.gz YZTBRJRFDWYVCE-KXQOOQHDSA-N 1 0 534.657 3.520 50 0 KHAARO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000101454556 554776451 /nfs/dbraw/zinc/77/64/51/554776451.db2.gz YZTBRJRFDWYVCE-LHEWISCISA-N 1 0 534.657 3.520 50 0 KHAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000101455125 554776976 /nfs/dbraw/zinc/77/69/76/554776976.db2.gz DPFHKYFYEQZDCS-LDLOPFEMSA-N 1 0 544.721 3.998 50 0 KHAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000101455132 554776901 /nfs/dbraw/zinc/77/69/01/554776901.db2.gz DPFHKYFYEQZDCS-KDXMTYKHSA-N 1 0 544.721 3.998 50 0 KHAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000101501708 554788713 /nfs/dbraw/zinc/78/87/13/554788713.db2.gz NAXMHYCVFQAJNO-VQHVLOKHSA-N 1 0 536.645 3.825 50 0 KHAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000101501774 554788744 /nfs/dbraw/zinc/78/87/44/554788744.db2.gz VTQHNPLLURYOAW-GQCTYLIASA-N 1 0 536.645 3.680 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000101502959 554789041 /nfs/dbraw/zinc/78/90/41/554789041.db2.gz ILIWLGIVKAWZIS-GMVMSBRFSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000101502960 554789057 /nfs/dbraw/zinc/78/90/57/554789057.db2.gz ILIWLGIVKAWZIS-QUULSXEQSA-N 1 0 533.588 3.602 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 ZINC000101503005 554789262 /nfs/dbraw/zinc/78/92/62/554789262.db2.gz LGCAMOACTWRKSG-XDZDDBEASA-N 1 0 547.615 3.911 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 ZINC000101503010 554789241 /nfs/dbraw/zinc/78/92/41/554789241.db2.gz LGCAMOACTWRKSG-MYECLKKLSA-N 1 0 547.615 3.911 50 0 KHAARO CC[C@@H](C)[N@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C1CCCCC1 ZINC000101507753 554791463 /nfs/dbraw/zinc/79/14/63/554791463.db2.gz NSEAMXFRYMHLOB-JOCHJYFZSA-N 1 0 548.750 3.526 50 0 KHAARO CC[C@H](C)[N@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C1CCCCC1 ZINC000101507756 554791494 /nfs/dbraw/zinc/79/14/94/554791494.db2.gz NSEAMXFRYMHLOB-QFIPXVFZSA-N 1 0 548.750 3.526 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000101511922 554793097 /nfs/dbraw/zinc/79/30/97/554793097.db2.gz JYSZDYGVTVUJGJ-UHFFFAOYSA-N 1 0 554.757 3.801 50 0 KHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000101523528 554794046 /nfs/dbraw/zinc/79/40/46/554794046.db2.gz ORDYOUKBVLTKBR-RUZDIDTESA-N 1 0 544.748 3.714 50 0 KHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000101523534 554794058 /nfs/dbraw/zinc/79/40/58/554794058.db2.gz ORDYOUKBVLTKBR-VWLOTQADSA-N 1 0 544.748 3.714 50 0 KHAARO CCOc1cc2sc(N3CCC(C(=O)NCCCN4CC[NH+](CC)CC4)CC3)nc2cc1Br ZINC000101582962 554800998 /nfs/dbraw/zinc/80/09/98/554800998.db2.gz QHAYCUPBWBKJLN-UHFFFAOYSA-N 1 0 538.556 3.818 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 ZINC000101592566 554803176 /nfs/dbraw/zinc/80/31/76/554803176.db2.gz RSXWDBTWPRRKSO-XDZDDBEASA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 ZINC000101592572 554803085 /nfs/dbraw/zinc/80/30/85/554803085.db2.gz RSXWDBTWPRRKSO-MYECLKKLSA-N 1 0 548.599 3.878 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)cc1 ZINC000101592586 554803105 /nfs/dbraw/zinc/80/31/05/554803105.db2.gz MKLPAYLHDZRLPE-PXFJVXAFSA-N 1 0 534.572 3.569 50 0 KHAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)cc1 ZINC000101592590 554803133 /nfs/dbraw/zinc/80/31/33/554803133.db2.gz MKLPAYLHDZRLPE-BCVXLEMTSA-N 1 0 534.572 3.569 50 0 KHAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101618162 554806402 /nfs/dbraw/zinc/80/64/02/554806402.db2.gz VVOUDPOJJXOYGZ-FQLXRVMXSA-N 1 0 546.737 3.999 50 0 KHAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101618164 554806374 /nfs/dbraw/zinc/80/63/74/554806374.db2.gz VVOUDPOJJXOYGZ-WDYNHAJCSA-N 1 0 546.737 3.999 50 0 KHAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101618167 554806395 /nfs/dbraw/zinc/80/63/95/554806395.db2.gz VVOUDPOJJXOYGZ-URLMMPGGSA-N 1 0 546.737 3.999 50 0 KHAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101618171 554806722 /nfs/dbraw/zinc/80/67/22/554806722.db2.gz VVOUDPOJJXOYGZ-VMPREFPWSA-N 1 0 546.737 3.999 50 0 KHAARO COc1ccccc1C[NH+]1CCC(CNC(=O)CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)CC1 ZINC000101625455 554811297 /nfs/dbraw/zinc/81/12/97/554811297.db2.gz UQRHRAGXXIBTNI-UHFFFAOYSA-N 1 0 565.719 3.735 50 0 KHAARO Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000101625460 554811171 /nfs/dbraw/zinc/81/11/71/554811171.db2.gz OQFSUZFWFOJGHZ-UHFFFAOYSA-N 1 0 553.683 3.866 50 0 KHAARO Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000101625471 554811269 /nfs/dbraw/zinc/81/12/69/554811269.db2.gz RVWLNEDHMIQMBP-UHFFFAOYSA-N 1 0 553.683 3.866 50 0 KHAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCCN1CCOCC1 ZINC000101625935 554811205 /nfs/dbraw/zinc/81/12/05/554811205.db2.gz BUGWSXIKHRRAFF-LITSAYRRSA-N 1 0 572.169 3.720 50 0 KHAARO O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC[NH+]3CCCCC3)o1)C(=O)CO2 ZINC000101636296 554812878 /nfs/dbraw/zinc/81/28/78/554812878.db2.gz QEIDMMSQXZFPQO-UHFFFAOYSA-N 1 0 535.572 3.822 50 0 KHAARO O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC[NH+]3CCCCC3)o1)C(=O)CO2 ZINC000101636322 554812895 /nfs/dbraw/zinc/81/28/95/554812895.db2.gz HYAUBDREZIRNFQ-UHFFFAOYSA-N 1 0 535.572 3.822 50 0 KHAARO O=C(COc1cccc(F)c1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC[NH+]3CCCCC3)o1)C(=O)CO2 ZINC000101636330 554812922 /nfs/dbraw/zinc/81/29/22/554812922.db2.gz GINZQXNKJWPMOL-UHFFFAOYSA-N 1 0 535.572 3.822 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1Cl ZINC000101642100 554814458 /nfs/dbraw/zinc/81/44/58/554814458.db2.gz WNCWIRXKKJAHSE-UHFFFAOYSA-N 1 0 595.144 3.947 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1C ZINC000101642130 554814675 /nfs/dbraw/zinc/81/46/75/554814675.db2.gz ALJPIFIRVSVQNO-UHFFFAOYSA-N 1 0 574.726 3.602 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000101642732 554814691 /nfs/dbraw/zinc/81/46/91/554814691.db2.gz YJNGPOSNXRMULX-UHFFFAOYSA-N 1 0 574.726 3.602 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000101642761 554814718 /nfs/dbraw/zinc/81/47/18/554814718.db2.gz HWTHPSNUDMTSEO-UHFFFAOYSA-N 1 0 595.144 3.947 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1C ZINC000101644248 554814859 /nfs/dbraw/zinc/81/48/59/554814859.db2.gz RKIIVSGYBDKCDU-UHFFFAOYSA-N 1 0 574.726 3.602 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000101644280 554814792 /nfs/dbraw/zinc/81/47/92/554814792.db2.gz GIHTVZQDEIHRJU-UHFFFAOYSA-N 1 0 595.144 3.947 50 0 KHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000101666605 554822577 /nfs/dbraw/zinc/82/25/77/554822577.db2.gz OOHDSSLHWXRQAY-WLBXEJSFSA-N 1 0 535.733 3.519 50 0 KHAARO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OCC)c1OCC ZINC000101670256 554823533 /nfs/dbraw/zinc/82/35/33/554823533.db2.gz NTBYYUDSFSRPBS-VWLOTQADSA-N 1 0 575.710 3.611 50 0 KHAARO COc1cc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000101671932 554825459 /nfs/dbraw/zinc/82/54/59/554825459.db2.gz OGIRBWABCVNBEI-JZMUPVMCSA-N 1 0 557.578 3.866 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672133 554825564 /nfs/dbraw/zinc/82/55/64/554825564.db2.gz BIJSPWHNVUCAIE-MUSMBDMCSA-N 1 0 568.605 3.530 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672137 554825590 /nfs/dbraw/zinc/82/55/90/554825590.db2.gz BIJSPWHNVUCAIE-PTLRTPRYSA-N 1 0 568.605 3.530 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672139 554825616 /nfs/dbraw/zinc/82/56/16/554825616.db2.gz BIJSPWHNVUCAIE-GFGYWFAOSA-N 1 0 568.605 3.530 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000101672142 554825518 /nfs/dbraw/zinc/82/55/18/554825518.db2.gz BIJSPWHNVUCAIE-YCYTWPSCSA-N 1 0 568.605 3.530 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674240 554827759 /nfs/dbraw/zinc/82/77/59/554827759.db2.gz IHDOVVNBQYMCSF-ZGQJUUMOSA-N 1 0 552.562 3.651 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674242 554827779 /nfs/dbraw/zinc/82/77/79/554827779.db2.gz IHDOVVNBQYMCSF-PCEYSVKOSA-N 1 0 552.562 3.651 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674246 554827782 /nfs/dbraw/zinc/82/77/82/554827782.db2.gz IHDOVVNBQYMCSF-GURVGDRESA-N 1 0 552.562 3.651 50 0 KHAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000101674251 554827769 /nfs/dbraw/zinc/82/77/69/554827769.db2.gz IHDOVVNBQYMCSF-XZSHTLEFSA-N 1 0 552.562 3.651 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000101676692 554828078 /nfs/dbraw/zinc/82/80/78/554828078.db2.gz ZMGFBPHBKBONET-CEYNDMKZSA-N 1 0 591.572 3.895 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000101676699 554827986 /nfs/dbraw/zinc/82/79/86/554827986.db2.gz ZMGFBPHBKBONET-RRQZXNHTSA-N 1 0 591.572 3.895 50 0 KHAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000101680857 554828486 /nfs/dbraw/zinc/82/84/86/554828486.db2.gz VRSSLSZLSIBTFC-UHFFFAOYSA-N 1 0 550.725 3.777 50 0 KHAARO CCOc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc32)CC1 ZINC000101680972 554828483 /nfs/dbraw/zinc/82/84/83/554828483.db2.gz PTPBSPWYFVTJJX-UHFFFAOYSA-N 1 0 566.724 3.743 50 0 KHAARO Cc1cc(C)n(CCNC(=O)c2ccc(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)n1 ZINC000101740549 554834237 /nfs/dbraw/zinc/83/42/37/554834237.db2.gz MPMNQWVQALTJID-UHFFFAOYSA-N 1 0 539.680 3.766 50 0 KHAARO C[C@H](C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccs3)c2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101740953 1066198573 /nfs/dbraw/zinc/19/85/73/1066198573.db2.gz AHLNBAGOVJNQEP-QFIPXVFZSA-N 1 0 545.709 3.943 50 0 KHAARO C[C@@H](C(=O)N1CCN(CCOc2cccc(C[N@H+](C)Cc3cccs3)c2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101740956 1066198661 /nfs/dbraw/zinc/19/86/61/1066198661.db2.gz AHLNBAGOVJNQEP-JOCHJYFZSA-N 1 0 545.709 3.943 50 0 KHAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)N(Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554834999 /nfs/dbraw/zinc/83/49/99/554834999.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 1 0 556.711 3.928 50 0 KHAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1OC ZINC000101811782 554839804 /nfs/dbraw/zinc/83/98/04/554839804.db2.gz SXHNYXKNOOZPST-FCHUYYIVSA-N 1 0 549.599 3.965 50 0 KHAARO Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCCN4CCOCC4)N32)cc1 ZINC000101920136 554851393 /nfs/dbraw/zinc/85/13/93/554851393.db2.gz OGMHNARXVKTWGX-RUZDIDTESA-N 1 0 512.676 3.750 50 0 KHAARO Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCCN4CCOCC4)N32)cc1 ZINC000101920139 554851383 /nfs/dbraw/zinc/85/13/83/554851383.db2.gz OGMHNARXVKTWGX-VWLOTQADSA-N 1 0 512.676 3.750 50 0 KHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000101965043 554853974 /nfs/dbraw/zinc/85/39/74/554853974.db2.gz ZAWSOECREMGNGP-XZWHSSHBSA-N 1 0 540.708 3.854 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000102038657 554869118 /nfs/dbraw/zinc/86/91/18/554869118.db2.gz RHPXSPCRSBATBH-ZWBDOSIPSA-N 1 0 536.632 3.999 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@]3([NH2+][C@@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000102038665 554869080 /nfs/dbraw/zinc/86/90/80/554869080.db2.gz RHPXSPCRSBATBH-BCZYHNNCSA-N 1 0 536.632 3.999 50 0 KHAARO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)ccc2N1C(=O)C1CC1 ZINC000102050578 554870780 /nfs/dbraw/zinc/87/07/80/554870780.db2.gz CNXUKLMFUZCXQR-JOCHJYFZSA-N 1 0 564.752 3.556 50 0 KHAARO C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)ccc2N1C(=O)C1CC1 ZINC000102050586 554870791 /nfs/dbraw/zinc/87/07/91/554870791.db2.gz CNXUKLMFUZCXQR-QFIPXVFZSA-N 1 0 564.752 3.556 50 0 KHAARO C[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132070 554886194 /nfs/dbraw/zinc/88/61/94/554886194.db2.gz ZOWDUODFXDGTDF-UHFFFAOYSA-N 1 0 546.663 3.632 50 0 KHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CN1CCN(C(=O)c2csc(Nc3cccc(Cl)c3)n2)CC1 ZINC000102155350 554889868 /nfs/dbraw/zinc/88/98/68/554889868.db2.gz KBSNQTGOZZGZAV-UHFFFAOYSA-N 1 0 541.121 3.888 50 0 KHAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102188363 554894040 /nfs/dbraw/zinc/89/40/40/554894040.db2.gz NUQKNRMFKHOTTJ-UHFFFAOYSA-N 1 0 557.445 3.982 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000102191949 554894896 /nfs/dbraw/zinc/89/48/96/554894896.db2.gz CZLBPDNXRLFZMM-UHFFFAOYSA-N 1 0 562.690 3.814 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000102191968 554894942 /nfs/dbraw/zinc/89/49/42/554894942.db2.gz RGNBUSNODOBXJF-UHFFFAOYSA-N 1 0 562.690 3.814 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1C ZINC000102193806 554895357 /nfs/dbraw/zinc/89/53/57/554895357.db2.gz GNLMNPIBIUUHAG-UHFFFAOYSA-N 1 0 558.727 3.984 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000102193885 554895456 /nfs/dbraw/zinc/89/54/56/554895456.db2.gz JDFZKSFFLMTKMB-UHFFFAOYSA-N 1 0 558.727 3.984 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1C ZINC000102193944 554895382 /nfs/dbraw/zinc/89/53/82/554895382.db2.gz HAFBNBSFIZYLHP-UHFFFAOYSA-N 1 0 544.700 3.593 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1 ZINC000102194038 554895417 /nfs/dbraw/zinc/89/54/17/554895417.db2.gz RLFLJDSNHCNFJP-UHFFFAOYSA-N 1 0 544.700 3.675 50 0 KHAARO Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](C5CCCCC5)CC4)C3)c2)no1 ZINC000102214035 554897642 /nfs/dbraw/zinc/89/76/42/554897642.db2.gz PTEICSHLCNUTCA-FQEVSTJZSA-N 1 0 536.098 3.576 50 0 KHAARO Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](C5CCCCC5)CC4)C3)c2)no1 ZINC000102214042 554897592 /nfs/dbraw/zinc/89/75/92/554897592.db2.gz PTEICSHLCNUTCA-HXUWFJFHSA-N 1 0 536.098 3.576 50 0 KHAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000102215157 554898156 /nfs/dbraw/zinc/89/81/56/554898156.db2.gz IGWQKMHWIUAEJZ-RPLLCQBOSA-N 1 0 545.650 3.752 50 0 KHAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335879 554912661 /nfs/dbraw/zinc/91/26/61/554912661.db2.gz DZBWTCVUDPPXIU-WIOYSNFSSA-N 1 0 540.707 3.896 50 0 KHAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102335887 554912656 /nfs/dbraw/zinc/91/26/56/554912656.db2.gz DZBWTCVUDPPXIU-CLLDFNAGSA-N 1 0 540.707 3.896 50 0 KHAARO Cc1nc(SCC(N)=O)nc(C)c1CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102381346 554918528 /nfs/dbraw/zinc/91/85/28/554918528.db2.gz HQLPTMGJAQAJSH-UHFFFAOYSA-N 1 0 539.652 3.815 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000102398569 554919477 /nfs/dbraw/zinc/91/94/77/554919477.db2.gz IUONLQIHESDKBD-UHFFFAOYSA-N 1 0 537.664 3.875 50 0 KHAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102420437 554925414 /nfs/dbraw/zinc/92/54/14/554925414.db2.gz HKXUIYJDINQPEG-LBNVMWSVSA-N 1 0 551.728 3.548 50 0 KHAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000102428682 554926266 /nfs/dbraw/zinc/92/62/66/554926266.db2.gz JWUVILRUUQKMIN-XZOQPEGZSA-N 1 0 535.607 3.767 50 0 KHAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1 ZINC000102433447 554927292 /nfs/dbraw/zinc/92/72/92/554927292.db2.gz DGXVNMOXVNTOBH-BDYUSTAISA-N 1 0 584.643 3.722 50 0 KHAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1 ZINC000102434015 554927537 /nfs/dbraw/zinc/92/75/37/554927537.db2.gz GAFOZYYABFYZLX-SQHAQQRYSA-N 1 0 548.713 3.748 50 0 KHAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1 ZINC000102434163 554927541 /nfs/dbraw/zinc/92/75/41/554927541.db2.gz GAFOZYYABFYZLX-IGKIAQTJSA-N 1 0 548.713 3.748 50 0 KHAARO CCN(CC[NH+](CC)CC)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000102457422 554934844 /nfs/dbraw/zinc/93/48/44/554934844.db2.gz ATXPMLXTFKSQLK-UHFFFAOYSA-N 1 0 550.700 3.907 50 0 KHAARO O=C(CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@@H]2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000102545354 554959044 /nfs/dbraw/zinc/95/90/44/554959044.db2.gz RQYBUBPTBRWHSO-MUUNZHRXSA-N 1 0 543.712 3.799 50 0 KHAARO O=C(CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000102545362 554959075 /nfs/dbraw/zinc/95/90/75/554959075.db2.gz RQYBUBPTBRWHSO-NDEPHWFRSA-N 1 0 543.712 3.799 50 0 KHAARO C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000102596572 1066208901 /nfs/dbraw/zinc/20/89/01/1066208901.db2.gz IBBCXTRNTWTJLX-UHFFFAOYSA-N 1 0 543.740 3.770 50 0 KHAARO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3ccc(Cl)cc3)C2)cc1 ZINC000102605647 1066209011 /nfs/dbraw/zinc/20/90/11/1066209011.db2.gz DDXCOYYEICYELP-UIOOFZCWSA-N 1 0 550.055 3.947 50 0 KHAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000102613522 554983059 /nfs/dbraw/zinc/98/30/59/554983059.db2.gz VOIDHOLQKBJVJP-ZHACJKMWSA-N 1 0 552.672 3.868 50 0 KHAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000102613540 554983045 /nfs/dbraw/zinc/98/30/45/554983045.db2.gz MEXIRIFXWGJMQZ-ZHACJKMWSA-N 1 0 544.649 3.877 50 0 KHAARO COc1ccc(CN2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1cccc2nsnc21 ZINC000102627464 554988227 /nfs/dbraw/zinc/98/82/27/554988227.db2.gz LKWBTLBATRXLTN-UHFFFAOYSA-N 1 0 553.710 3.688 50 0 KHAARO CCn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634404 554990338 /nfs/dbraw/zinc/99/03/38/554990338.db2.gz TWYSOFFZVXEHGD-UHFFFAOYSA-N 1 0 540.668 3.931 50 0 KHAARO CCn1c2c(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634420 554990532 /nfs/dbraw/zinc/99/05/32/554990532.db2.gz NTKZDVNQRIQLOZ-UHFFFAOYSA-N 1 0 586.712 3.864 50 0 KHAARO CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634435 554990430 /nfs/dbraw/zinc/99/04/30/554990430.db2.gz HLSMGPKKWKTEAP-UHFFFAOYSA-N 1 0 586.712 3.864 50 0 KHAARO CCn1c2c(C(=O)NCC3CC[NH+](CCc4ccc(OC)cc4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634448 554990374 /nfs/dbraw/zinc/99/03/74/554990374.db2.gz CQCHTAVPAHKIPL-UHFFFAOYSA-N 1 0 612.775 3.776 50 0 KHAARO COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC[C@H]1CCC[N@@H+]1C ZINC000102661924 1066209876 /nfs/dbraw/zinc/20/98/76/1066209876.db2.gz MLXDWOPCJIQSCD-YKSBVNFPSA-N 1 0 581.682 3.705 50 0 KHAARO COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC[C@@H]1CCC[N@@H+]1C ZINC000102661926 1066209401 /nfs/dbraw/zinc/20/94/01/1066209401.db2.gz MLXDWOPCJIQSCD-RDPSFJRHSA-N 1 0 581.682 3.705 50 0 KHAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3ccc(OC)c4ccccc34)C2)nn1 ZINC000102664099 1066209432 /nfs/dbraw/zinc/20/94/32/1066209432.db2.gz QFOYNKVINGELSO-YWEHKCAJSA-N 1 0 572.641 3.530 50 0 KHAARO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(O)CC3)C2)c1OC ZINC000102679903 555005124 /nfs/dbraw/zinc/00/51/24/555005124.db2.gz VKFUMQNYXXXZAR-RBJSKKJNSA-N 1 0 568.734 3.619 50 0 KHAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C3CC[NH+](CCc4ccccc4)CC3)C2)nn1 ZINC000102682757 1066209584 /nfs/dbraw/zinc/20/95/84/1066209584.db2.gz DGXVNMOXVNTOBH-VPUSJEBWSA-N 1 0 584.643 3.722 50 0 KHAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)[nH+]1 ZINC000102683476 555006610 /nfs/dbraw/zinc/00/66/10/555006610.db2.gz YXDXQNLQTNCXOB-UHFFFAOYSA-N 1 0 577.277 3.979 50 0 KHAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC[C@H]1CO ZINC000102694786 555009650 /nfs/dbraw/zinc/00/96/50/555009650.db2.gz DQQMWSQCZHFASK-SAAIGDAKSA-N 1 0 559.677 3.877 50 0 KHAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C/C=C/c3ccccc3OC)C2)nn1 ZINC000102705106 555014349 /nfs/dbraw/zinc/01/43/49/555014349.db2.gz QZUGQIJDEVNGDK-BASMTRSQSA-N 1 0 543.546 3.737 50 0 KHAARO CCOc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OCC)c1OCC ZINC000102707261 555015404 /nfs/dbraw/zinc/01/54/04/555015404.db2.gz NTBYYUDSFSRPBS-RUZDIDTESA-N 1 0 575.710 3.611 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)C1 ZINC000102719407 555019693 /nfs/dbraw/zinc/01/96/93/555019693.db2.gz GUAQDQMGDRBSAM-OYRHEFFESA-N 1 0 550.791 3.563 50 0 KHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)C1 ZINC000102719411 555019644 /nfs/dbraw/zinc/01/96/44/555019644.db2.gz GUAQDQMGDRBSAM-SFTDATJTSA-N 1 0 550.791 3.563 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)C1 ZINC000102719417 555019593 /nfs/dbraw/zinc/01/95/93/555019593.db2.gz GUAQDQMGDRBSAM-NHCUHLMSSA-N 1 0 550.791 3.563 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)C1 ZINC000102719958 555019862 /nfs/dbraw/zinc/01/98/62/555019862.db2.gz AINMAWNTJHQLQH-ATLLOTDBSA-N 1 0 565.111 3.925 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)C1 ZINC000102719963 555019900 /nfs/dbraw/zinc/01/99/00/555019900.db2.gz AINMAWNTJHQLQH-GAKIBJFNSA-N 1 0 565.111 3.925 50 0 KHAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@H]1c1cccc(OC)c1 ZINC000102743511 555034238 /nfs/dbraw/zinc/03/42/38/555034238.db2.gz DPRNIVBOZDVBBA-VWLOTQADSA-N 1 0 510.660 3.920 50 0 KHAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102743512 555034224 /nfs/dbraw/zinc/03/42/24/555034224.db2.gz DPRNIVBOZDVBBA-RUZDIDTESA-N 1 0 510.660 3.920 50 0 KHAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102743522 555034202 /nfs/dbraw/zinc/03/42/02/555034202.db2.gz QKHLIWDUGWHVPF-VWLOTQADSA-N 1 0 510.660 3.920 50 0 KHAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102743523 555034214 /nfs/dbraw/zinc/03/42/14/555034214.db2.gz QKHLIWDUGWHVPF-RUZDIDTESA-N 1 0 510.660 3.920 50 0 KHAARO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@H]1c1ccccc1 ZINC000102743528 555034143 /nfs/dbraw/zinc/03/41/43/555034143.db2.gz FNPGSODFRDYXFT-SANMLTNESA-N 1 0 524.687 3.928 50 0 KHAARO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@@H]1c1ccccc1 ZINC000102743529 555034171 /nfs/dbraw/zinc/03/41/71/555034171.db2.gz FNPGSODFRDYXFT-AREMUKBSSA-N 1 0 524.687 3.928 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000102766868 555055476 /nfs/dbraw/zinc/05/54/76/555055476.db2.gz YKLONMVNALBYFO-OSPHWJPCSA-N 1 0 551.084 3.821 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000102766869 555055532 /nfs/dbraw/zinc/05/55/32/555055532.db2.gz YKLONMVNALBYFO-XDHUDOTRSA-N 1 0 551.084 3.821 50 0 KHAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCN3CC[NH+](C)CC3)C2=O)cc1Br ZINC000102768862 555056329 /nfs/dbraw/zinc/05/63/29/555056329.db2.gz YCJWSUBFABUWET-JJIBRWJFSA-N 1 0 559.530 3.691 50 0 KHAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(O)c2c1 ZINC000102771218 555059731 /nfs/dbraw/zinc/05/97/31/555059731.db2.gz FUDCFGVJQIVKRE-UHFFFAOYSA-N 1 0 538.714 3.633 50 0 KHAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000102771836 555060883 /nfs/dbraw/zinc/06/08/83/555060883.db2.gz QKYLTPJMTZLPDL-UHFFFAOYSA-N 1 0 569.632 3.503 50 0 KHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000102784341 555067287 /nfs/dbraw/zinc/06/72/87/555067287.db2.gz MDFCABWTJCQRJK-UHFFFAOYSA-N 1 0 550.725 3.777 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)cc21 ZINC000102792913 555069989 /nfs/dbraw/zinc/06/99/89/555069989.db2.gz ZSFJNRGMELSUNK-UHFFFAOYSA-N 1 0 617.610 3.930 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc21 ZINC000102793315 555070943 /nfs/dbraw/zinc/07/09/43/555070943.db2.gz UEHYGKPEHBWSGC-UHFFFAOYSA-N 1 0 534.520 3.981 50 0 KHAARO COc1cc2nc(CN(Cc3ccccc3C[NH+]3CCCC3)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)[nH]c(=O)c2cc1OC ZINC000102816918 555076123 /nfs/dbraw/zinc/07/61/23/555076123.db2.gz NIMLXPWJHXCGKR-UHFFFAOYSA-N 1 0 626.714 3.992 50 0 KHAARO CC[N@H+](CCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)Cc1ccccc1 ZINC000102839895 555080979 /nfs/dbraw/zinc/08/09/79/555080979.db2.gz RXNPUOWSHCBRBK-UHFFFAOYSA-N 1 0 550.519 3.550 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@H]4CC)C3)cc21 ZINC000102843168 555083162 /nfs/dbraw/zinc/08/31/62/555083162.db2.gz PDHUCTZMUHAVDS-NHCUHLMSSA-N 1 0 583.593 3.530 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@@H]4CC)C3)cc21 ZINC000102843170 555083216 /nfs/dbraw/zinc/08/32/16/555083216.db2.gz PDHUCTZMUHAVDS-RTWAWAEBSA-N 1 0 583.593 3.530 50 0 KHAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000102867473 555097015 /nfs/dbraw/zinc/09/70/15/555097015.db2.gz FVRNZDWBEPEVJR-XZOQPEGZSA-N 1 0 516.689 3.525 50 0 KHAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000102867476 555096989 /nfs/dbraw/zinc/09/69/89/555096989.db2.gz FVRNZDWBEPEVJR-DHIUTWEWSA-N 1 0 516.689 3.525 50 0 KHAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000102867505 555097063 /nfs/dbraw/zinc/09/70/63/555097063.db2.gz IRUSOTFJGQTYJZ-BOCITWAFSA-N 1 0 507.468 3.579 50 0 KHAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000102867507 555097002 /nfs/dbraw/zinc/09/70/02/555097002.db2.gz IRUSOTFJGQTYJZ-IMIIHFCZSA-N 1 0 507.468 3.579 50 0 KHAARO CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936037 555163659 /nfs/dbraw/zinc/16/36/59/555163659.db2.gz UMCQZBJOPVOIPQ-QFIPXVFZSA-N 1 0 539.599 3.736 50 0 KHAARO CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1 ZINC000102936040 555163690 /nfs/dbraw/zinc/16/36/90/555163690.db2.gz UMCQZBJOPVOIPQ-JOCHJYFZSA-N 1 0 539.599 3.736 50 0 KHAARO CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102936162 555163669 /nfs/dbraw/zinc/16/36/69/555163669.db2.gz LFDVSUVTEWAKLC-OAQYLSRUSA-N 1 0 539.599 3.735 50 0 KHAARO CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102936164 555163646 /nfs/dbraw/zinc/16/36/46/555163646.db2.gz LFDVSUVTEWAKLC-NRFANRHFSA-N 1 0 539.599 3.735 50 0 KHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O ZINC000102938514 555167061 /nfs/dbraw/zinc/16/70/61/555167061.db2.gz YLESNBYTWZDZEO-UHFFFAOYSA-N 1 0 548.709 3.913 50 0 KHAARO COCC[NH+](CCOC)C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000102939942 555168523 /nfs/dbraw/zinc/16/85/23/555168523.db2.gz LOKDUNPJXLPMPA-KRWDZBQOSA-N 1 0 608.258 3.959 50 0 KHAARO COCC[NH+](CCOC)C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000102939945 555168539 /nfs/dbraw/zinc/16/85/39/555168539.db2.gz LOKDUNPJXLPMPA-QGZVFWFLSA-N 1 0 608.258 3.959 50 0 KHAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2cccc(OC)c2OC)CC1 ZINC000102952465 1066320225 /nfs/dbraw/zinc/32/02/25/1066320225.db2.gz JELDRQBZKBQNBR-KAMYIIQDSA-N 1 0 542.702 3.672 50 0 KHAARO COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000102996052 555195458 /nfs/dbraw/zinc/19/54/58/555195458.db2.gz SMDHLVOKVVUETG-UHFFFAOYSA-N 1 0 531.432 3.616 50 0 KHAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000103010998 555205895 /nfs/dbraw/zinc/20/58/95/555205895.db2.gz FDHNRASITDMHQQ-NXOTUFOLSA-N 1 0 559.622 3.965 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103013212 555207742 /nfs/dbraw/zinc/20/77/42/555207742.db2.gz MQORFJWRNILJKM-WPCYABMESA-N 1 0 548.643 3.642 50 0 KHAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103013912 555207999 /nfs/dbraw/zinc/20/79/99/555207999.db2.gz OXQWRDPRSYEMRK-KJDXMVLPSA-N 1 0 562.670 3.637 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5N(CC(=O)N5CCc6ccccc65)C4=O)[C@H]3C2=O)cc1 ZINC000103017894 555210280 /nfs/dbraw/zinc/21/02/80/555210280.db2.gz PGZILDWXWNYEMZ-PZBSYGIKSA-N 1 0 605.695 3.600 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5N(CC(=O)N5CCc6ccccc65)C4=O)[C@H]3C2=O)cc1 ZINC000103017900 555210470 /nfs/dbraw/zinc/21/04/70/555210470.db2.gz PGZILDWXWNYEMZ-CFCKTANGSA-N 1 0 605.695 3.600 50 0 KHAARO COc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3c(F)cccc3F)C2)c1 ZINC000103024027 555214316 /nfs/dbraw/zinc/21/43/16/555214316.db2.gz UYCHPBQETHMPIC-XWDJFTLGSA-N 1 0 548.627 3.806 50 0 KHAARO COc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3c(F)cccc3F)C2)c1 ZINC000103024030 555214287 /nfs/dbraw/zinc/21/42/87/555214287.db2.gz UYCHPBQETHMPIC-NANFOGFDSA-N 1 0 548.627 3.806 50 0 KHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000103051225 555233640 /nfs/dbraw/zinc/23/36/40/555233640.db2.gz COBNHKGYYFLROF-UHFFFAOYSA-N 1 0 534.682 3.758 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054765 555236269 /nfs/dbraw/zinc/23/62/69/555236269.db2.gz MZGKSDNMYFMOOE-HJPURHCSSA-N 1 0 534.488 3.651 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054768 555236343 /nfs/dbraw/zinc/23/63/43/555236343.db2.gz MZGKSDNMYFMOOE-QMHKHESXSA-N 1 0 534.488 3.651 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054770 555236339 /nfs/dbraw/zinc/23/63/39/555236339.db2.gz MZGKSDNMYFMOOE-MWTRTKDXSA-N 1 0 534.488 3.651 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054772 555236351 /nfs/dbraw/zinc/23/63/51/555236351.db2.gz MZGKSDNMYFMOOE-WAIKUNEKSA-N 1 0 534.488 3.651 50 0 KHAARO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054836 555236565 /nfs/dbraw/zinc/23/65/65/555236565.db2.gz INKGXTBOSQIHKM-DEOSSOPVSA-N 1 0 534.488 3.653 50 0 KHAARO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](C4CCCC4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054839 555236587 /nfs/dbraw/zinc/23/65/87/555236587.db2.gz INKGXTBOSQIHKM-XMMPIXPASA-N 1 0 534.488 3.653 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(C)C3CC[NH+](C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103058302 555239120 /nfs/dbraw/zinc/23/91/20/555239120.db2.gz IZZRDTAKVGENNT-URXFXBBRSA-N 1 0 549.638 3.855 50 0 KHAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(C)C3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103058304 555239074 /nfs/dbraw/zinc/23/90/74/555239074.db2.gz IZZRDTAKVGENNT-XUZZJYLKSA-N 1 0 549.638 3.855 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(C)C3CC[NH+](C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103058308 555239129 /nfs/dbraw/zinc/23/91/29/555239129.db2.gz IZZRDTAKVGENNT-QPPBQGQZSA-N 1 0 549.638 3.855 50 0 KHAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(C)C3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103058309 555239141 /nfs/dbraw/zinc/23/91/41/555239141.db2.gz IZZRDTAKVGENNT-ZJSXRUAMSA-N 1 0 549.638 3.855 50 0 KHAARO CCN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058318 555239154 /nfs/dbraw/zinc/23/91/54/555239154.db2.gz PDXAYISOJZSMDY-SANMLTNESA-N 1 0 556.494 3.957 50 0 KHAARO CCN1C2=C(C(=O)N(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058320 555239132 /nfs/dbraw/zinc/23/91/32/555239132.db2.gz PDXAYISOJZSMDY-AREMUKBSSA-N 1 0 556.494 3.957 50 0 KHAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103100780 555278209 /nfs/dbraw/zinc/27/82/09/555278209.db2.gz OOBJUTIVDLSUNK-UHFFFAOYSA-N 1 0 594.782 3.532 50 0 KHAARO COc1c(C)cnc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c1C ZINC000103108878 555284252 /nfs/dbraw/zinc/28/42/52/555284252.db2.gz LXXGWZGDBLUDQJ-IBGZPJMESA-N 1 0 532.688 3.549 50 0 KHAARO COc1c(C)cnc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c1C ZINC000103108882 555284263 /nfs/dbraw/zinc/28/42/63/555284263.db2.gz LXXGWZGDBLUDQJ-LJQANCHMSA-N 1 0 532.688 3.549 50 0 KHAARO O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2CCCN1CCOCC1)N1CCOCC1 ZINC000103116528 555288504 /nfs/dbraw/zinc/28/85/04/555288504.db2.gz XTEWSMOOEFBRIX-UHFFFAOYSA-N 1 0 551.134 3.725 50 0 KHAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(F)c2F)C1 ZINC000103124800 555292803 /nfs/dbraw/zinc/29/28/03/555292803.db2.gz KYKFUYQIDMSSFA-UNVADFLRSA-N 1 0 536.591 3.936 50 0 KHAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(F)c2F)C1 ZINC000103124804 555292790 /nfs/dbraw/zinc/29/27/90/555292790.db2.gz KYKFUYQIDMSSFA-XVTSZCMISA-N 1 0 536.591 3.936 50 0 KHAARO CSCC[C@@H]1[NH2+][C@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103129963 555298664 /nfs/dbraw/zinc/29/86/64/555298664.db2.gz OQKYSKQSCSKLKF-BCZYHNNCSA-N 1 0 568.699 3.702 50 0 KHAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103129969 555298696 /nfs/dbraw/zinc/29/86/96/555298696.db2.gz OQKYSKQSCSKLKF-ZWBDOSIPSA-N 1 0 568.699 3.702 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000103130043 555298702 /nfs/dbraw/zinc/29/87/02/555298702.db2.gz RHPXSPCRSBATBH-PVJLDVRHSA-N 1 0 536.632 3.999 50 0 KHAARO CN1C2=C(C(=O)N(CCC(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2cccc(Cl)c2Cl)NC1=O ZINC000103137740 555308082 /nfs/dbraw/zinc/30/80/82/555308082.db2.gz FIVGXTXRPUMMLW-VWLOTQADSA-N 1 0 544.483 3.766 50 0 KHAARO CN1C2=C(C(=O)N(CCC(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Cl)c2Cl)NC1=O ZINC000103137743 555308115 /nfs/dbraw/zinc/30/81/15/555308115.db2.gz FIVGXTXRPUMMLW-RUZDIDTESA-N 1 0 544.483 3.766 50 0 KHAARO Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)NCC[NH+]4CCCCC4)n3)C[C@@H]2C)c1 ZINC000103144209 555312202 /nfs/dbraw/zinc/31/22/02/555312202.db2.gz WALQOQNDOLCLMD-FQEVSTJZSA-N 1 0 546.141 3.875 50 0 KHAARO Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)NCC[NH+]4CCCCC4)n3)C[C@H]2C)c1 ZINC000103144212 555312193 /nfs/dbraw/zinc/31/21/93/555312193.db2.gz WALQOQNDOLCLMD-HXUWFJFHSA-N 1 0 546.141 3.875 50 0 KHAARO O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000103154943 555319492 /nfs/dbraw/zinc/31/94/92/555319492.db2.gz RRAYKOGQUHMMIC-AHWVRZQESA-N 1 0 534.598 3.546 50 0 KHAARO COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000103278073 555350388 /nfs/dbraw/zinc/35/03/88/555350388.db2.gz PWPJJVQHWJJHCS-VWLOTQADSA-N 1 0 505.644 3.977 50 0 KHAARO COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000103278076 555350413 /nfs/dbraw/zinc/35/04/13/555350413.db2.gz PWPJJVQHWJJHCS-RUZDIDTESA-N 1 0 505.644 3.977 50 0 KHAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103280652 555351464 /nfs/dbraw/zinc/35/14/64/555351464.db2.gz WENYDZVUVLBJAZ-AREMUKBSSA-N 1 0 567.687 3.885 50 0 KHAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103280655 555351512 /nfs/dbraw/zinc/35/15/12/555351512.db2.gz WENYDZVUVLBJAZ-SANMLTNESA-N 1 0 567.687 3.885 50 0 KHAARO O=C(c1ccccc1Cl)N1CCCN(c2nc(CN3CCN(Cc4ccc(Cl)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000103307421 555356692 /nfs/dbraw/zinc/35/66/92/555356692.db2.gz JHUASBPWCLVCTA-UHFFFAOYSA-N 1 0 555.510 3.747 50 0 KHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@H+](CCO)C[C@H]12 ZINC000103405470 555391822 /nfs/dbraw/zinc/39/18/22/555391822.db2.gz WYIVSGKTNNUPOE-JTHBVZDNSA-N 1 0 503.828 3.551 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000103582109 555451553 /nfs/dbraw/zinc/45/15/53/555451553.db2.gz VJPKZSNKKBQLCA-CYFREDJKSA-N 1 0 501.425 3.864 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000103582116 555451483 /nfs/dbraw/zinc/45/14/83/555451483.db2.gz SSMVSHYGRCXYNC-VGSWGCGISA-N 1 0 507.816 3.900 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000103582123 555451520 /nfs/dbraw/zinc/45/15/20/555451520.db2.gz SSMVSHYGRCXYNC-JTSKRJEESA-N 1 0 507.816 3.900 50 0 KHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@H]2C)c1 ZINC000103711669 555464626 /nfs/dbraw/zinc/46/46/26/555464626.db2.gz UOSJYDWHBBYCAJ-JWQCQUIFSA-N 1 0 544.748 3.795 50 0 KHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000103978753 1066318757 /nfs/dbraw/zinc/31/87/57/1066318757.db2.gz NTABIFJFULKRAX-RRPNLBNLSA-N 1 0 532.660 3.894 50 0 KHAARO COc1cc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103865 571373998 /nfs/dbraw/zinc/37/39/98/571373998.db2.gz OGIRBWABCVNBEI-JYICUVCFSA-N 1 0 557.578 3.866 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000104765995 571385879 /nfs/dbraw/zinc/38/58/79/571385879.db2.gz WDMYXQJIFGPHOU-QLXKLKPCSA-N 1 0 561.477 3.902 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000104795316 571386293 /nfs/dbraw/zinc/38/62/93/571386293.db2.gz VGXWCTGZPNHIEB-MHECFPHRSA-N 1 0 577.545 3.791 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000104795324 571386265 /nfs/dbraw/zinc/38/62/65/571386265.db2.gz YKLONMVNALBYFO-BXKMTCNYSA-N 1 0 551.084 3.821 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)C1 ZINC000104795335 571386297 /nfs/dbraw/zinc/38/62/97/571386297.db2.gz AINMAWNTJHQLQH-FUMQJTLXSA-N 1 0 565.111 3.925 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)C1 ZINC000104795338 571386279 /nfs/dbraw/zinc/38/62/79/571386279.db2.gz AINMAWNTJHQLQH-QJMRKGMQSA-N 1 0 565.111 3.925 50 0 KHAARO O=C(NCC[NH+]1CCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104916654 571387604 /nfs/dbraw/zinc/38/76/04/571387604.db2.gz PQZBCIJUUFDXPQ-AOYPEHQESA-N 1 0 516.608 3.659 50 0 KHAARO O=C(NCC[NH+]1CCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104916657 571387556 /nfs/dbraw/zinc/38/75/56/571387556.db2.gz PQZBCIJUUFDXPQ-AZGAKELHSA-N 1 0 516.608 3.659 50 0 KHAARO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104919779 571387805 /nfs/dbraw/zinc/38/78/05/571387805.db2.gz FYMVXXRPZSBVBD-JBRSBNLGSA-N 1 0 503.565 3.743 50 0 KHAARO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104919781 571387857 /nfs/dbraw/zinc/38/78/57/571387857.db2.gz FYMVXXRPZSBVBD-SONWIMMPSA-N 1 0 503.565 3.743 50 0 KHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000105000121 571389046 /nfs/dbraw/zinc/38/90/46/571389046.db2.gz QSTMPOJKYWVMPT-CUNXSJBXSA-N 1 0 519.130 3.803 50 0 KHAARO COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000105004206 571389115 /nfs/dbraw/zinc/38/91/15/571389115.db2.gz LMOZQHKGDPOHTA-SQJMNOBHSA-N 1 0 502.677 3.759 50 0 KHAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061982 571390932 /nfs/dbraw/zinc/39/09/32/571390932.db2.gz LXOZVQVXEQLWMH-RLWLMLJZSA-N 1 0 509.697 3.926 50 0 KHAARO CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000106005660 571410192 /nfs/dbraw/zinc/41/01/92/571410192.db2.gz PPKPYZUJHFHWHW-IIBYNOLFSA-N 1 0 511.541 3.884 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449647 571424776 /nfs/dbraw/zinc/42/47/76/571424776.db2.gz CVOPJGXEVFAMOX-ZOTUOOSYSA-N 1 0 594.753 3.900 50 0 biogenic KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449650 571424828 /nfs/dbraw/zinc/42/48/28/571424828.db2.gz CVOPJGXEVFAMOX-ZSHJDDHQSA-N 1 0 594.753 3.900 50 0 biogenic KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450027 571425013 /nfs/dbraw/zinc/42/50/13/571425013.db2.gz LWGSDZZKBRFSEJ-RDGATRHJSA-N 1 0 580.726 3.656 50 0 biogenic KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450030 571424993 /nfs/dbraw/zinc/42/49/93/571424993.db2.gz LWGSDZZKBRFSEJ-DHLKQENFSA-N 1 0 580.726 3.656 50 0 biogenic KHAARO COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C2(C(=O)Nc3ccc4c(ccn4C)c3)CC[NH+](C)CC2)cc1OC ZINC000108834885 571426815 /nfs/dbraw/zinc/42/68/15/571426815.db2.gz SXHIUVWXDRFLFP-UHFFFAOYSA-N 1 0 637.737 3.966 50 0 KHAARO O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000113564228 571440682 /nfs/dbraw/zinc/44/06/82/571440682.db2.gz ZPEXFBLUAVXYIF-GFMRDNFCSA-N 1 0 563.705 3.504 50 0 KHAARO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000115723221 571443370 /nfs/dbraw/zinc/44/33/70/571443370.db2.gz UFPFGVNKHCLJJO-HVETUWLQSA-N 1 0 500.640 3.850 50 0 KHAARO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000115723223 571443399 /nfs/dbraw/zinc/44/33/99/571443399.db2.gz UFPFGVNKHCLJJO-XGRCMKMKSA-N 1 0 500.640 3.850 50 0 KHAARO C[NH2+][C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000116345872 571443276 /nfs/dbraw/zinc/44/32/76/571443276.db2.gz UFPFGVNKHCLJJO-NPFVIJTESA-N 1 0 500.640 3.850 50 0 KHAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000141405656 571455911 /nfs/dbraw/zinc/45/59/11/571455911.db2.gz OQKYSKQSCSKLKF-GOFRPNEHSA-N 1 0 568.699 3.702 50 0 KHAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000141405844 571455964 /nfs/dbraw/zinc/45/59/64/571455964.db2.gz OQKYSKQSCSKLKF-AFGJWPEXSA-N 1 0 568.699 3.702 50 0 KHAARO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H]([NH+]2CCN(CCO)CC2)C3)ncc1Cl ZINC000146905479 571456772 /nfs/dbraw/zinc/45/67/72/571456772.db2.gz BCSHRERPHLTPEE-NRFANRHFSA-N 1 0 580.133 3.843 50 0 investigational KHAARO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C(C)C)cc2ccccc21 ZINC000150340719 571457961 /nfs/dbraw/zinc/45/79/61/571457961.db2.gz QBKHTBZTARAYHC-PHDGFQFKSA-N 1 0 679.822 3.717 50 0 KHAARO Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(CC(=O)Nc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000150350718 571462052 /nfs/dbraw/zinc/46/20/52/571462052.db2.gz WSCROLIQNBDMMN-UHFFFAOYSA-N 1 0 637.560 3.996 50 0 KHAARO CCN(CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O)c1cccc(C)c1 ZINC000150402085 571478401 /nfs/dbraw/zinc/47/84/01/571478401.db2.gz FXNHQBJXKMJYBE-UHFFFAOYSA-N 1 0 652.843 3.627 50 0 KHAARO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C(C)C)cc2ccccc21 ZINC000150655056 571526433 /nfs/dbraw/zinc/52/64/33/571526433.db2.gz QBKHTBZTARAYHC-MZSJJGOWSA-N 1 0 679.822 3.717 50 0 KHAARO CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1 ZINC000150656106 571526870 /nfs/dbraw/zinc/52/68/70/571526870.db2.gz RZKSQRIPRKWVBU-MHZLTWQESA-N 1 0 669.818 3.678 50 0 in-vitro KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@H](C)[C@@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000169620714 571554459 /nfs/dbraw/zinc/55/44/59/571554459.db2.gz SHKVOZPHCCIAOL-DXPBDYEMSA-N 1 0 573.447 3.736 50 0 KHAARO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677248 571554706 /nfs/dbraw/zinc/55/47/06/571554706.db2.gz FYMVXXRPZSBVBD-ARNLJNQMSA-N 1 0 503.565 3.743 50 0 KHAARO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169677711 571554991 /nfs/dbraw/zinc/55/49/91/571554991.db2.gz YFWXAFMLTMAONR-UZTOHYMASA-N 1 0 515.651 3.627 50 0 KHAARO COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000169677858 571555242 /nfs/dbraw/zinc/55/52/42/571555242.db2.gz LMOZQHKGDPOHTA-PXDATVDWSA-N 1 0 502.677 3.759 50 0 KHAARO O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679098 571556327 /nfs/dbraw/zinc/55/63/27/571556327.db2.gz RRAYKOGQUHMMIC-RSXGOPAZSA-N 1 0 534.598 3.546 50 0 KHAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000169691973 571558652 /nfs/dbraw/zinc/55/86/52/571558652.db2.gz WDMYXQJIFGPHOU-QUGAMOGWSA-N 1 0 561.477 3.902 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000169694145 571558641 /nfs/dbraw/zinc/55/86/41/571558641.db2.gz VGXWCTGZPNHIEB-HOYKHHGWSA-N 1 0 577.545 3.791 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000169694146 571558605 /nfs/dbraw/zinc/55/86/05/571558605.db2.gz ZMGFBPHBKBONET-MPCDZSKCSA-N 1 0 591.572 3.895 50 0 KHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000169694147 571558667 /nfs/dbraw/zinc/55/86/67/571558667.db2.gz ZMGFBPHBKBONET-HHJKRLRDSA-N 1 0 591.572 3.895 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000169694149 571558663 /nfs/dbraw/zinc/55/86/63/571558663.db2.gz YKLONMVNALBYFO-MZNJEOGPSA-N 1 0 551.084 3.821 50 0 KHAARO C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1 ZINC000220197997 571604024 /nfs/dbraw/zinc/60/40/24/571604024.db2.gz WNEODWDFDXWOLU-QHCPKHFHSA-N 1 0 664.811 3.574 50 0 in-vitro KHAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225380556 571747891 /nfs/dbraw/zinc/74/78/91/571747891.db2.gz NJFVTGFMZWOVIM-YTXSASNOSA-N 1 0 618.606 3.559 50 0 KHAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225380585 571747795 /nfs/dbraw/zinc/74/77/95/571747795.db2.gz NJFVTGFMZWOVIM-UHASXDTDSA-N 1 0 618.606 3.559 50 0 KHAARO CC[NH+](CC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225389347 571758635 /nfs/dbraw/zinc/75/86/35/571758635.db2.gz KFCGNHSESCCJPQ-LCIYGTCESA-N 1 0 543.108 3.610 50 0 KHAARO CC[NH+](CC)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000225389386 571758643 /nfs/dbraw/zinc/75/86/43/571758643.db2.gz KFCGNHSESCCJPQ-LPSUVQJGSA-N 1 0 543.108 3.610 50 0 KHAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225401925 571771276 /nfs/dbraw/zinc/77/12/76/571771276.db2.gz FSSDOOXNORRSON-RNBBJCFKSA-N 1 0 627.786 3.654 50 0 KHAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225401969 571771300 /nfs/dbraw/zinc/77/13/00/571771300.db2.gz FSSDOOXNORRSON-PAFPPNBASA-N 1 0 627.786 3.654 50 0 KHAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@H+]4CCCC[C@@H]4CC)C3)cc21 ZINC000226651863 572139630 /nfs/dbraw/zinc/13/96/30/572139630.db2.gz PDHUCTZMUHAVDS-SFTDATJTSA-N 1 0 583.593 3.530 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000229661463 572159561 /nfs/dbraw/zinc/15/95/61/572159561.db2.gz XAGUWEUGOILZHF-FFAHVWSXSA-N 1 0 547.615 3.856 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229666029 572159410 /nfs/dbraw/zinc/15/94/10/572159410.db2.gz UUTVXPBLASTPMZ-SQZFZZOSSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000229667184 572159455 /nfs/dbraw/zinc/15/94/55/572159455.db2.gz GFMHPHQBITXXLU-FBCZBLESSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000229670544 572159704 /nfs/dbraw/zinc/15/97/04/572159704.db2.gz RHSPXIGVAZSTAE-ZQPSKXNCSA-N 1 0 547.615 3.856 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229982235 572176750 /nfs/dbraw/zinc/17/67/50/572176750.db2.gz HTKSYLRHCHFDLG-QWPFQWAGSA-N 1 0 554.990 3.713 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000229982244 572176524 /nfs/dbraw/zinc/17/65/24/572176524.db2.gz HTKSYLRHCHFDLG-XAOHGYBUSA-N 1 0 554.990 3.713 50 0 KHAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230011131 572178242 /nfs/dbraw/zinc/17/82/42/572178242.db2.gz FJMKGXIUJXDRSC-HVSOMOSWSA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230011138 572178542 /nfs/dbraw/zinc/17/85/42/572178542.db2.gz FJMKGXIUJXDRSC-GYMZGOSFSA-N 1 0 554.990 3.760 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)[NH2+][C@@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1 ZINC000230022128 572179414 /nfs/dbraw/zinc/17/94/14/572179414.db2.gz RJCXHRKTFLCZRJ-MOOFCHRGSA-N 1 0 528.996 3.838 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)[NH2+][C@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1 ZINC000230022140 572179724 /nfs/dbraw/zinc/17/97/24/572179724.db2.gz RJCXHRKTFLCZRJ-ZDTDYCBWSA-N 1 0 528.996 3.838 50 0 KHAARO O=C(CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O)N1CCc2ccccc21 ZINC000230030515 572180020 /nfs/dbraw/zinc/18/00/20/572180020.db2.gz YGUJCLINQPHMLA-IYMBJGSBSA-N 1 0 596.687 3.834 50 0 KHAARO O=C(CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O)N1CCc2ccccc21 ZINC000230030522 572180306 /nfs/dbraw/zinc/18/03/06/572180306.db2.gz YGUJCLINQPHMLA-USYAYQHBSA-N 1 0 596.687 3.834 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000230044071 572181002 /nfs/dbraw/zinc/18/10/02/572181002.db2.gz XAGUWEUGOILZHF-RBUURGHLSA-N 1 0 547.615 3.856 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230044914 572181131 /nfs/dbraw/zinc/18/11/31/572181131.db2.gz YAPHKTAXQNRXCF-FZYNUTEISA-N 1 0 585.414 3.827 50 0 KHAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230044921 572181207 /nfs/dbraw/zinc/18/12/07/572181207.db2.gz YAPHKTAXQNRXCF-LGZHOBANSA-N 1 0 585.414 3.827 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230045621 572181623 /nfs/dbraw/zinc/18/16/23/572181623.db2.gz UQRYPVGZWLLCCE-QWPFQWAGSA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 ZINC000230045628 572181504 /nfs/dbraw/zinc/18/15/04/572181504.db2.gz UQRYPVGZWLLCCE-XAOHGYBUSA-N 1 0 554.990 3.760 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230045947 572181718 /nfs/dbraw/zinc/18/17/18/572181718.db2.gz RGTCLZAHQBUAES-UNESRPHWSA-N 1 0 540.963 3.718 50 0 KHAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000230045958 572181782 /nfs/dbraw/zinc/18/17/82/572181782.db2.gz RGTCLZAHQBUAES-BJWNKAMFSA-N 1 0 540.963 3.718 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000230051277 572181820 /nfs/dbraw/zinc/18/18/20/572181820.db2.gz UUTVXPBLASTPMZ-QTAFEOSRSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000230053033 572181550 /nfs/dbraw/zinc/18/15/50/572181550.db2.gz GFMHPHQBITXXLU-SLXDEKLDSA-N 1 0 548.599 3.669 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000230057949 572181885 /nfs/dbraw/zinc/18/18/85/572181885.db2.gz RHSPXIGVAZSTAE-YDCVZUCISA-N 1 0 547.615 3.856 50 0 KHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000230068481 572182221 /nfs/dbraw/zinc/18/22/21/572182221.db2.gz NICBOWWTHZBNQJ-SVBPBHIXSA-N 1 0 527.662 3.870 50 0 KHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000230068486 572182356 /nfs/dbraw/zinc/18/23/56/572182356.db2.gz NICBOWWTHZBNQJ-SXOMAYOGSA-N 1 0 527.662 3.870 50 0 KHAARO Cc1cc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@H](NCc4ccccc4)C2)C3=O)ccc1Cl ZINC000230106825 572184028 /nfs/dbraw/zinc/18/40/28/572184028.db2.gz UNYDDUCQXKYUGF-WNJJXGMVSA-N 1 0 593.109 3.811 50 0 KHAARO Cc1cc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN([N+](=O)[O-])[C@H](NCc4ccccc4)C2)C3=O)ccc1Cl ZINC000230106831 572183989 /nfs/dbraw/zinc/18/39/89/572183989.db2.gz UNYDDUCQXKYUGF-LITSAYRRSA-N 1 0 593.109 3.811 50 0 KHAARO C[NH+]1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 ZINC000231558892 562881183 /nfs/dbraw/zinc/88/11/83/562881183.db2.gz DJOVLOYCGXNVPI-UHFFFAOYSA-N 1 0 555.601 3.897 50 0 in-vitro KHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244735064 572199784 /nfs/dbraw/zinc/19/97/84/572199784.db2.gz NSODTIBRLQHEEU-BOFKSZNZSA-N 1 0 521.702 3.892 50 0 KHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000244735065 572199846 /nfs/dbraw/zinc/19/98/46/572199846.db2.gz NSODTIBRLQHEEU-KPOFERKLSA-N 1 0 521.702 3.892 50 0 KHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000245228501 572205329 /nfs/dbraw/zinc/20/53/29/572205329.db2.gz CILHQSKOHBAUFX-RPWUZVMVSA-N 1 0 501.679 3.716 50 0 KHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000245228502 572205355 /nfs/dbraw/zinc/20/53/55/572205355.db2.gz CILHQSKOHBAUFX-ZEQRLZLVSA-N 1 0 501.679 3.716 50 0 KHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@@H]2C)c1 ZINC000245228581 562881305 /nfs/dbraw/zinc/88/13/05/562881305.db2.gz UOSJYDWHBBYCAJ-DQEYMECFSA-N 1 0 544.748 3.795 50 0 KHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@H]2C)c1 ZINC000245228582 562881319 /nfs/dbraw/zinc/88/13/19/562881319.db2.gz UOSJYDWHBBYCAJ-RPBOFIJWSA-N 1 0 544.748 3.795 50 0 KHAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235673 572210246 /nfs/dbraw/zinc/21/02/46/572210246.db2.gz NARPJTZOCATBAH-FKEHITKOSA-N 1 0 589.696 3.594 50 0 KHAARO CCN(CC)C(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245235674 572210101 /nfs/dbraw/zinc/21/01/01/572210101.db2.gz NARPJTZOCATBAH-RMYVIZGWSA-N 1 0 589.696 3.594 50 0 KHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000245237488 572211031 /nfs/dbraw/zinc/21/10/31/572211031.db2.gz KTQMOAFYOUHWPJ-AUSIDOKSSA-N 1 0 521.108 3.674 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000245238491 572212015 /nfs/dbraw/zinc/21/20/15/572212015.db2.gz RJCXHRKTFLCZRJ-HGDKAPMVSA-N 1 0 528.996 3.838 50 0 KHAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000245255056 572221970 /nfs/dbraw/zinc/22/19/70/572221970.db2.gz FDHNRASITDMHQQ-PWDPMQEGSA-N 1 0 559.622 3.965 50 0 KHAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000245255057 572222007 /nfs/dbraw/zinc/22/20/07/572222007.db2.gz FDHNRASITDMHQQ-YXKGNLPJSA-N 1 0 559.622 3.965 50 0 KHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000245298167 572227070 /nfs/dbraw/zinc/22/70/70/572227070.db2.gz XWHBDSXZCBIVML-QUCCMNQESA-N 1 0 501.697 3.552 50 0 KHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000245298170 572226985 /nfs/dbraw/zinc/22/69/85/572226985.db2.gz XWHBDSXZCBIVML-UYAOXDASSA-N 1 0 501.697 3.552 50 0 KHAARO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000245310367 572228103 /nfs/dbraw/zinc/22/81/03/572228103.db2.gz ILUQVSSPLZCOND-POTDNYQPSA-N 1 0 509.518 3.578 50 0 KHAARO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN32)cc1 ZINC000245310368 572228048 /nfs/dbraw/zinc/22/80/48/572228048.db2.gz ILUQVSSPLZCOND-XPGKHFPBSA-N 1 0 509.518 3.578 50 0 KHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326457 572232333 /nfs/dbraw/zinc/23/23/33/572232333.db2.gz KIPYSZPQMVMUOI-KCWPFWIISA-N 1 0 527.021 3.572 50 0 KHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326458 572232361 /nfs/dbraw/zinc/23/23/61/572232361.db2.gz KIPYSZPQMVMUOI-YIXXDRMTSA-N 1 0 527.021 3.572 50 0 KHAARO CCN(CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343041 572237358 /nfs/dbraw/zinc/23/73/58/572237358.db2.gz CRQWXIBZKSRTPM-LEWJYISDSA-N 1 0 507.081 3.667 50 0 KHAARO CCN(CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 ZINC000245343042 572237237 /nfs/dbraw/zinc/23/72/37/572237237.db2.gz CRQWXIBZKSRTPM-NHCUHLMSSA-N 1 0 507.081 3.667 50 0 KHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000245343516 572239057 /nfs/dbraw/zinc/23/90/57/572239057.db2.gz QSTMPOJKYWVMPT-AMGIVPHBSA-N 1 0 519.130 3.803 50 0 KHAARO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245343736 572239872 /nfs/dbraw/zinc/23/98/72/572239872.db2.gz YFWXAFMLTMAONR-XHCCPWGMSA-N 1 0 515.651 3.627 50 0 KHAARO O=C(NCc1ccccn1)[C@@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468072 572242622 /nfs/dbraw/zinc/24/26/22/572242622.db2.gz DHVRYHUBXPNMEK-SHQCIBLASA-N 1 0 507.562 3.694 50 0 KHAARO O=C(NCc1ccccn1)[C@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468082 572242641 /nfs/dbraw/zinc/24/26/41/572242641.db2.gz DHVRYHUBXPNMEK-SQHAQQRYSA-N 1 0 507.562 3.694 50 0 KHAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730711 572244213 /nfs/dbraw/zinc/24/42/13/572244213.db2.gz GXDDIZBLQSUDOA-BJKOFHAPSA-N 1 0 525.621 3.876 50 0 KHAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730716 572244100 /nfs/dbraw/zinc/24/41/00/572244100.db2.gz GXDDIZBLQSUDOA-DNQXCXABSA-N 1 0 525.621 3.876 50 0 KHAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744281 572244371 /nfs/dbraw/zinc/24/43/71/572244371.db2.gz QKNDXRKLKKBHMM-CLJLJLNGSA-N 1 0 525.621 3.876 50 0 KHAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744285 572244378 /nfs/dbraw/zinc/24/43/78/572244378.db2.gz QKNDXRKLKKBHMM-IZZNHLLZSA-N 1 0 525.621 3.876 50 0 KHAARO O=C(CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000247804755 572244989 /nfs/dbraw/zinc/24/49/89/572244989.db2.gz YGUJCLINQPHMLA-YYHMRPRLSA-N 1 0 596.687 3.834 50 0 KHAARO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247835369 572245558 /nfs/dbraw/zinc/24/55/58/572245558.db2.gz MYUKAGCSYARXIH-ORQYLMBXSA-N 1 0 500.780 3.842 50 0 KHAARO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000247835418 572245662 /nfs/dbraw/zinc/24/56/62/572245662.db2.gz MYUKAGCSYARXIH-YDSTWLSQSA-N 1 0 500.780 3.842 50 0 KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000247837124 572246075 /nfs/dbraw/zinc/24/60/75/572246075.db2.gz MMNUQQYQOPVVFV-HUULLNBQSA-N 1 0 554.990 3.776 50 0 KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247866876 572246739 /nfs/dbraw/zinc/24/67/39/572246739.db2.gz YCGSGWVEFHDMJF-DTSJKDQCSA-N 1 0 554.990 3.776 50 0 KHAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247866880 572246818 /nfs/dbraw/zinc/24/68/18/572246818.db2.gz YCGSGWVEFHDMJF-OJKVMUNDSA-N 1 0 554.990 3.776 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000247867337 572246880 /nfs/dbraw/zinc/24/68/80/572246880.db2.gz BIJSPWHNVUCAIE-BCZYHNNCSA-N 1 0 568.605 3.530 50 0 KHAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1OC ZINC000247867341 572246831 /nfs/dbraw/zinc/24/68/31/572246831.db2.gz BIJSPWHNVUCAIE-ZWBDOSIPSA-N 1 0 568.605 3.530 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000247913704 572249343 /nfs/dbraw/zinc/24/93/43/572249343.db2.gz FDRPPJHHXIOWSH-HNRABGRISA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000247913708 572249324 /nfs/dbraw/zinc/24/93/24/572249324.db2.gz FDRPPJHHXIOWSH-JPPUBGEISA-N 1 0 554.006 3.947 50 0 KHAARO CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247930673 572249937 /nfs/dbraw/zinc/24/99/37/572249937.db2.gz JPQPMIBJUYLDLZ-FQEVSTJZSA-N 1 0 524.463 3.691 50 0 KHAARO CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247930678 572249932 /nfs/dbraw/zinc/24/99/32/572249932.db2.gz JPQPMIBJUYLDLZ-HXUWFJFHSA-N 1 0 524.463 3.691 50 0 KHAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000247946858 572250319 /nfs/dbraw/zinc/25/03/19/572250319.db2.gz PGZILDWXWNYEMZ-OHZVFQBGSA-N 1 0 605.695 3.600 50 0 KHAARO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000247952481 572250660 /nfs/dbraw/zinc/25/06/60/572250660.db2.gz RHSPXIGVAZSTAE-JVPIYLDOSA-N 1 0 547.615 3.856 50 0 KHAARO CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960425 572250959 /nfs/dbraw/zinc/25/09/59/572250959.db2.gz VEEAZULPCFUMKZ-FQEVSTJZSA-N 1 0 524.463 3.691 50 0 KHAARO CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960427 572250911 /nfs/dbraw/zinc/25/09/11/572250911.db2.gz 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Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](CC(C)C)[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]43)C2=O)cc1 ZINC000247998328 572251977 /nfs/dbraw/zinc/25/19/77/572251977.db2.gz RHPXSPCRSBATBH-PTLRTPRYSA-N 1 0 536.632 3.999 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000248000947 572251979 /nfs/dbraw/zinc/25/19/79/572251979.db2.gz SHKVOZPHCCIAOL-CBYCEKHASA-N 1 0 573.447 3.736 50 0 KHAARO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@H](C)[C@@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000248000951 572251951 /nfs/dbraw/zinc/25/19/51/572251951.db2.gz SHKVOZPHCCIAOL-RIGAIPTQSA-N 1 0 573.447 3.736 50 0 KHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@H+](CCO)C[C@H]12 ZINC000248050234 572252900 /nfs/dbraw/zinc/25/29/00/572252900.db2.gz WYIVSGKTNNUPOE-GMAHTHKFSA-N 1 0 503.828 3.551 50 0 KHAARO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248060275 572253002 /nfs/dbraw/zinc/25/30/02/572253002.db2.gz 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554.990 3.914 50 0 KHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)C1 ZINC000253530842 572298550 /nfs/dbraw/zinc/29/85/50/572298550.db2.gz WPERURXSMBHWJK-VAMGGRTRSA-N 1 0 502.681 3.601 50 0 KHAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257175508 1066294145 /nfs/dbraw/zinc/29/41/45/1066294145.db2.gz BATFXFJQZALQNQ-JOCHJYFZSA-N 1 0 517.596 3.558 50 0 KHAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257175509 1066497317 /nfs/dbraw/zinc/49/73/17/1066497317.db2.gz BATFXFJQZALQNQ-QFIPXVFZSA-N 1 0 517.596 3.558 50 0 KHAARO COc1cccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCC[N@@H+]5CCC[C@@H](CN3C(=O)c3cccnc3)[C@@H]45)CC2)c1 ZINC000257176262 1066294208 /nfs/dbraw/zinc/29/42/08/1066294208.db2.gz AHZXTGNSYWHBCD-YKHAVDHNSA-N 1 0 545.728 3.924 50 0 KHAARO CCn1nc(C)c(CNC(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)c1C ZINC000257177512 1066294109 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NYGPYWAORVKEPD-BHBYDHKZSA-N 1 0 587.731 3.947 50 0 KHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 ZINC000299775071 572136333 /nfs/dbraw/zinc/13/63/33/572136333.db2.gz JMYDXACANRWPCS-UHFFFAOYSA-N 1 0 543.693 3.937 50 0 KHAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C/C=C/c3ccccc3)C2)c(OC)c1C ZINC000299781155 1066318916 /nfs/dbraw/zinc/31/89/16/1066318916.db2.gz KNWMBYWERWHLQQ-XFUVCZHPSA-N 1 0 500.643 3.970 50 0 KHAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299781614 572136492 /nfs/dbraw/zinc/13/64/92/572136492.db2.gz MESMPSVMXKNDSK-UHFFFAOYSA-N 1 0 562.674 3.712 50 0 KHAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(-n3nc(C)cc3C)c2)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000299782987 1066319853 /nfs/dbraw/zinc/31/98/53/1066319853.db2.gz WHMQWWZJKHDTHA-WNJJXGMVSA-N 1 0 529.685 3.542 50 0 KHAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000299783585 1066319732 /nfs/dbraw/zinc/31/97/32/1066319732.db2.gz WUKKZYQNBGDBCE-IHLOFXLRSA-N 1 0 540.708 3.971 50 0 KHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 ZINC000299787955 572137191 /nfs/dbraw/zinc/13/71/91/572137191.db2.gz ZFGZPPAZWRBRGG-UHFFFAOYSA-N 1 0 525.653 3.685 50 0 KHAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC(O)CC1 ZINC000299788160 572137370 /nfs/dbraw/zinc/13/73/70/572137370.db2.gz SAXMRORRRREEPI-RBJSKKJNSA-N 1 0 559.677 3.877 50 0 KHAARO O=C(CC[C@H]1C[N@@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCC[C@H]1CO ZINC000299793832 572137387 /nfs/dbraw/zinc/13/73/87/572137387.db2.gz HNTRDWUUGNKNCS-FEVNIDIWSA-N 1 0 534.720 3.569 50 0 KHAARO CCN(CC[NH+](CC)CC)C(=O)C1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 ZINC000299795180 572137334 /nfs/dbraw/zinc/13/73/34/572137334.db2.gz LVMLQYUVEGJYQD-IBGZPJMESA-N 1 0 511.692 3.907 50 0 KHAARO CCN(CC[NH+](CC)CC)C(=O)C1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 ZINC000299795201 572137113 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COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000409413640 1066197740 /nfs/dbraw/zinc/19/77/40/1066197740.db2.gz JPYAWLAHXCJTSN-OKWBYJIHSA-N 1 0 590.721 3.948 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000409413979 1066197829 /nfs/dbraw/zinc/19/78/29/1066197829.db2.gz HQDLHZFLKUXGOT-FATZWSQISA-N 1 0 530.669 3.931 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000409413981 1066207272 /nfs/dbraw/zinc/20/72/72/1066207272.db2.gz HQDLHZFLKUXGOT-GZWANVBQSA-N 1 0 530.669 3.931 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000409414336 1066288866 /nfs/dbraw/zinc/28/88/66/1066288866.db2.gz KNWUYFXLJBXQFJ-MMOLPGFLSA-N 1 0 546.668 3.932 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414341 1066207356 /nfs/dbraw/zinc/20/73/56/1066207356.db2.gz KNWUYFXLJBXQFJ-YOLRXJNRSA-N 1 0 546.668 3.932 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000409415110 1066197783 /nfs/dbraw/zinc/19/77/83/1066197783.db2.gz UAWOKHDTIZDFHQ-HUROMRQRSA-N 1 0 537.705 3.541 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000409415111 1066197886 /nfs/dbraw/zinc/19/78/86/1066197886.db2.gz UAWOKHDTIZDFHQ-MSLLRLGPSA-N 1 0 537.705 3.541 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000409415112 1066288813 /nfs/dbraw/zinc/28/88/13/1066288813.db2.gz UAWOKHDTIZDFHQ-RNJDCESWSA-N 1 0 537.705 3.541 50 0 KHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000409415113 1066197689 /nfs/dbraw/zinc/19/76/89/1066197689.db2.gz UAWOKHDTIZDFHQ-YGPDHOBYSA-N 1 0 537.705 3.541 50 0 KHAARO CC1(C)CCc2c(cc(OCC(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000524729061 1066200265 /nfs/dbraw/zinc/20/02/65/1066200265.db2.gz BAZSRMNLTKOBHQ-RTWAWAEBSA-N 1 0 573.690 3.551 50 0 KHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524729493 1066201458 /nfs/dbraw/zinc/20/14/58/1066201458.db2.gz VTGPAWNMVLUPTI-GOEWEAILSA-N 1 0 516.642 3.541 50 0 KHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524729494 1066201508 /nfs/dbraw/zinc/20/15/08/1066201508.db2.gz VTGPAWNMVLUPTI-MCPPRULHSA-N 1 0 516.642 3.541 50 0 KHAARO O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729657 1066200362 /nfs/dbraw/zinc/20/03/62/1066200362.db2.gz CJDGYPLYDVGTQX-FXZPAHAQSA-N 1 0 579.701 3.759 50 0 KHAARO O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729658 1066200228 /nfs/dbraw/zinc/20/02/28/1066200228.db2.gz CJDGYPLYDVGTQX-MKVNITDJSA-N 1 0 579.701 3.759 50 0 KHAARO COc1cc([C@H](CC(=O)NC2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730965 1066203095 /nfs/dbraw/zinc/20/30/95/1066203095.db2.gz DWXUHRPAPFZIBA-FQEVSTJZSA-N 1 0 532.597 3.547 50 0 KHAARO COc1cc([C@@H](CC(=O)NC2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730966 1066203211 /nfs/dbraw/zinc/20/32/11/1066203211.db2.gz DWXUHRPAPFZIBA-HXUWFJFHSA-N 1 0 532.597 3.547 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000524731410 1066204059 /nfs/dbraw/zinc/20/40/59/1066204059.db2.gz WOHWTHAGILHZGW-AZCYMXHYSA-N 1 0 532.641 3.589 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000524731411 1066204467 /nfs/dbraw/zinc/20/44/67/1066204467.db2.gz WOHWTHAGILHZGW-NSLQWWKHSA-N 1 0 532.641 3.589 50 0 KHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccccc1 ZINC000526052633 1066206379 /nfs/dbraw/zinc/20/63/79/1066206379.db2.gz YBWVVFSEVYBNDX-BAGYTPMASA-N 1 0 503.672 3.810 50 0 KHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccccc1 ZINC000526052634 1066212828 /nfs/dbraw/zinc/21/28/28/1066212828.db2.gz YBWVVFSEVYBNDX-HJNYFJLDSA-N 1 0 503.672 3.810 50 0 KHAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000575443260 1066490787 /nfs/dbraw/zinc/49/07/87/1066490787.db2.gz RSNGYMXYLYKGCN-FQEVSTJZSA-N 1 0 514.807 3.958 50 0 KHAARO [NH3+][C@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000575443262 1066490818 /nfs/dbraw/zinc/49/08/18/1066490818.db2.gz RSNGYMXYLYKGCN-HXUWFJFHSA-N 1 0 514.807 3.958 50 0 KHAARO COc1ccc(NC(=O)C2(N(CCc3c[nH]c4ccccc34)C(=O)CN3C(=O)c4ccccc4C3=O)CC[NH+](C)CC2)c(OC)c1 ZINC000575443635 1066491351 /nfs/dbraw/zinc/49/13/51/1066491351.db2.gz FGLNTLTYOVYMHX-UHFFFAOYSA-N 1 0 623.710 3.956 50 0 KHAARO C[NH+]1CCC(C(=O)NCCCn2ccnc2)(N(CCc2c[nH]c3ccccc23)C(=O)Cc2ccccc2)CC1 ZINC000575443874 1066491258 /nfs/dbraw/zinc/49/12/58/1066491258.db2.gz PQZKOTWVDOWWHL-UHFFFAOYSA-N 1 0 526.685 3.649 50 0 KHAARO C[NH+]1CCC(C(=O)NCCCn2ccnc2)(N(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2)CC1 ZINC000575443903 1066491215 /nfs/dbraw/zinc/49/12/15/1066491215.db2.gz VGJFTCWRGVGABG-UHFFFAOYSA-N 1 0 512.658 3.720 50 0 KHAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@H]2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000581793559 1066513214 /nfs/dbraw/zinc/51/32/14/1066513214.db2.gz HNPJPTHHBGUKPP-DEOSSOPVSA-N 1 0 520.077 3.894 50 0 KHAARO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000581793560 1066513038 /nfs/dbraw/zinc/51/30/38/1066513038.db2.gz HNPJPTHHBGUKPP-XMMPIXPASA-N 1 0 520.077 3.894 50 0 KHAARO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1 ZINC000581813823 1066513142 /nfs/dbraw/zinc/51/31/42/1066513142.db2.gz INDSNWKEHIGUDQ-AREMUKBSSA-N 1 0 593.798 3.612 50 0 KHAARO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1 ZINC000581813828 1066512952 /nfs/dbraw/zinc/51/29/52/1066512952.db2.gz INDSNWKEHIGUDQ-SANMLTNESA-N 1 0 593.798 3.612 50 0 KHAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@H](c3ccc(O)c(OC)c3)c3oc(C)cc(=O)c3O)CC2)cc1 ZINC000604404840 1066507753 /nfs/dbraw/zinc/50/77/53/1066507753.db2.gz HCQLOGMPWGLSAD-HSZRJFAPSA-N 1 0 522.598 3.679 50 0 KHAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@@H](c3ccc(O)c(OC)c3)c3oc(C)cc(=O)c3O)CC2)cc1 ZINC000604404842 1066507696 /nfs/dbraw/zinc/50/76/96/1066507696.db2.gz HCQLOGMPWGLSAD-QHCPKHFHSA-N 1 0 522.598 3.679 50 0 KHAARO CC(C)n1cnc(S(=O)(=O)N2CCC(N3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@@H](C)C3)CC2)c1 ZINC000618256241 1066510043 /nfs/dbraw/zinc/51/00/43/1066510043.db2.gz GODMQBDPHSKHSD-INIZCTEOSA-N 1 0 535.036 3.895 50 0 KHAARO CC(C)n1cnc(S(=O)(=O)N2CCC(N3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@H](C)C3)CC2)c1 ZINC000618256243 1066509997 /nfs/dbraw/zinc/50/99/97/1066509997.db2.gz GODMQBDPHSKHSD-MRXNPFEDSA-N 1 0 535.036 3.895 50 0 KHAARO O=S(=O)(c1cccnc1)N1CCC([NH+]2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256275 1066509783 /nfs/dbraw/zinc/50/97/83/1066509783.db2.gz HBFAIADYZPETDM-UHFFFAOYSA-N 1 0 504.962 3.845 50 0 KHAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c(C)c1 ZINC000618256569 1066509918 /nfs/dbraw/zinc/50/99/18/1066509918.db2.gz JQRQNAUHHWOIQD-UHFFFAOYSA-N 1 0 524.609 3.948 50 0 KHAARO CC(C)n1cnc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)c1 ZINC000618256616 1066510160 /nfs/dbraw/zinc/51/01/60/1066510160.db2.gz KBQJDZAKPSXDLQ-UHFFFAOYSA-N 1 0 501.575 3.574 50 0 KHAARO Cc1noc(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000618256650 1066510092 /nfs/dbraw/zinc/51/00/92/1066510092.db2.gz KZDMUFJUYVQCHG-CYBMUJFWSA-N 1 0 521.993 3.722 50 0 KHAARO Cc1noc(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000618256653 1066510178 /nfs/dbraw/zinc/51/01/78/1066510178.db2.gz KZDMUFJUYVQCHG-ZDUSSCGKSA-N 1 0 521.993 3.722 50 0 KHAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC([NH+]2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256901 1066493670 /nfs/dbraw/zinc/49/36/70/1066493670.db2.gz NJVCFTYRUXFJHX-UHFFFAOYSA-N 1 0 536.020 3.801 50 0 KHAARO C[C@H]1CN(C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257484 1066509818 /nfs/dbraw/zinc/50/98/18/1066509818.db2.gz XMJPCKKBCWUXFW-HNNXBMFYSA-N 1 0 503.978 3.513 50 0 KHAARO C[C@@H]1CN(C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257485 1066510121 /nfs/dbraw/zinc/51/01/21/1066510121.db2.gz XMJPCKKBCWUXFW-OAHLLOKOSA-N 1 0 503.978 3.513 50 0 KHAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(Cl)cc(Cl)c4NC3=O)[C@H]2C1=O)c1ccccc1 ZINC000685944143 1066289814 /nfs/dbraw/zinc/28/98/14/1066289814.db2.gz RKYQZIFUFNLMDH-DFQPOLAXSA-N 1 0 513.425 3.523 50 0 KHAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21c2cc(Cl)cc(Cl)c2NC1=O)c1ccccc1 ZINC000685944144 1066289886 /nfs/dbraw/zinc/28/98/86/1066289886.db2.gz RKYQZIFUFNLMDH-JBKUAXTLSA-N 1 0 513.425 3.523 50 0 KHAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4cc(Cl)cc(Cl)c4NC3=O)[C@H]2C1=O)c1ccccc1 ZINC000685944145 1066289968 /nfs/dbraw/zinc/28/99/68/1066289968.db2.gz RKYQZIFUFNLMDH-VOUZHKRMSA-N 1 0 513.425 3.523 50 0 KHAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21c2cc(Cl)cc(Cl)c2NC1=O)c1ccccc1 ZINC000685944146 1066289997 /nfs/dbraw/zinc/28/99/97/1066289997.db2.gz RKYQZIFUFNLMDH-VWQVHKGQSA-N 1 0 513.425 3.523 50 0 KHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)c(=O)[nH]2)C1 ZINC000823043428 1066510747 /nfs/dbraw/zinc/51/07/47/1066510747.db2.gz MAUOLYCGFGZSAD-FQEVSTJZSA-N 1 0 507.660 3.921 50 0 KHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)c(=O)[nH]2)C1 ZINC000823043429 1066510461 /nfs/dbraw/zinc/51/04/61/1066510461.db2.gz MAUOLYCGFGZSAD-HXUWFJFHSA-N 1 0 507.660 3.921 50 0 KHAARO COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)cc1 ZINC000824692079 1066512201 /nfs/dbraw/zinc/51/22/01/1066512201.db2.gz FOKKEMWBSJLTON-UHFFFAOYSA-N 1 0 546.576 3.954 50 0 KHAARO COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000824692085 1066512288 /nfs/dbraw/zinc/51/22/88/1066512288.db2.gz GOTHVZAFXHJLBT-UHFFFAOYSA-N 1 0 507.631 3.979 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000888088906 1066322092 /nfs/dbraw/zinc/32/20/92/1066322092.db2.gz WYHCDWCIVMAGRU-IMXIINTDSA-N 1 0 532.641 3.542 50 0 KHAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000888088907 1066321783 /nfs/dbraw/zinc/32/17/83/1066321783.db2.gz WYHCDWCIVMAGRU-SGXKSUMTSA-N 1 0 532.641 3.542 50 0 KHAARO COc1cc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc(OC)c1OC ZINC000952855792 1066516590 /nfs/dbraw/zinc/51/65/90/1066516590.db2.gz ACHADOLOFFOSMJ-SVEHJYQDSA-N 1 0 575.662 3.785 50 0 KHAARO COCCN1CC(=O)N[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952855989 1066516676 /nfs/dbraw/zinc/51/66/76/1066516676.db2.gz ZQWXXMBQOPQLMV-IZEXYCQBSA-N 1 0 613.715 3.671 50 0 KHAARO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](CCc3cccc(C)n3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856017 1066516517 /nfs/dbraw/zinc/51/65/17/1066516517.db2.gz BUMLZJDTBXPMBK-XZWHSSHBSA-N 1 0 558.679 3.985 50 0 KHAARO COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(Cn4ccnc4)o3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952856051 1066516650 /nfs/dbraw/zinc/51/66/50/1066516650.db2.gz FJGODLLLDDSOIH-IUDBTDONSA-N 1 0 639.709 3.789 50 0 KHAARO CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856062 1066516991 /nfs/dbraw/zinc/51/69/91/1066516991.db2.gz GCEGKEDVSLLEBZ-KYJUHHDHSA-N 1 0 600.716 3.988 50 0 KHAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856113 1066517088 /nfs/dbraw/zinc/51/70/88/1066517088.db2.gz KRONNAIPZYWEMZ-WUFINQPMSA-N 1 0 586.689 3.978 50 0 KHAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cc(C3CCCCC3)no1)CCCNC(=O)CC2 ZINC000952856147 1066517058 /nfs/dbraw/zinc/51/70/58/1066517058.db2.gz NSJGQOQFCHGDMI-DEOSSOPVSA-N 1 0 611.784 3.808 50 0 KHAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856172 1066517036 /nfs/dbraw/zinc/51/70/36/1066517036.db2.gz QAVRONXNRRWMTN-QVWWMRLHSA-N 1 0 556.663 3.806 50 0 KHAARO O=C(C[NH2+]C1CC1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856374 1066517623 /nfs/dbraw/zinc/51/76/23/1066517623.db2.gz HAEQVTPODWTGNQ-LJAQVGFWSA-N 1 0 513.594 3.923 50 0 KHAARO O=C1COc2ccc3c(c2)CCN(C(=O)c2ccc(C[NH+]4CCCC4)o2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856930 1066518628 /nfs/dbraw/zinc/51/86/28/1066518628.db2.gz OKROUZUHWRUOIN-LJAQVGFWSA-N 1 0 515.610 3.941 50 0 KHAARO CCCCc1ncc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)[nH]1 ZINC000952857166 1066518919 /nfs/dbraw/zinc/51/89/19/1066518919.db2.gz MAGBRVXZXPJAHB-MFMCTBQISA-N 1 0 513.642 3.883 50 0 KHAARO C[NH+]1CCC(CC(=O)N2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952857336 1066519055 /nfs/dbraw/zinc/51/90/55/1066519055.db2.gz SCCCPZHAXIRSKX-SMCANUKXSA-N 1 0 540.668 3.551 50 0 KHAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3[nH+]c(C)n4ccccc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857376 1066518967 /nfs/dbraw/zinc/51/89/67/1066518967.db2.gz XGOTVEONTMJIMP-NYDCQLBNSA-N 1 0 628.730 3.663 50 0 KHAARO COc1cc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)cc(OC)c1OC ZINC000952857875 1066519981 /nfs/dbraw/zinc/51/99/81/1066519981.db2.gz ZRZZIOWZPCHCSG-XDFJSJKPSA-N 1 0 557.647 3.843 50 0 KHAARO COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952858567 1066520425 /nfs/dbraw/zinc/52/04/25/1066520425.db2.gz DCOFBLJJDWGGCC-UMSFTDKQSA-N 1 0 693.849 3.898 50 0 KHAARO CN1CC(=O)N[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952858993 1066520918 /nfs/dbraw/zinc/52/09/18/1066520918.db2.gz MGCRZQJDTORUDS-IOWSJCHKSA-N 1 0 584.717 3.861 50 0 KHAARO CCn1nc(C)c(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1C ZINC000952859242 1066520928 /nfs/dbraw/zinc/52/09/28/1066520928.db2.gz PXAKSLZFUFWFAR-MFMCTBQISA-N 1 0 513.642 3.650 50 0 KHAARO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](CCc3ccccn3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859403 1066520986 /nfs/dbraw/zinc/52/09/86/1066520986.db2.gz WEJXTKMMYVYXMJ-URLMMPGGSA-N 1 0 544.652 3.677 50 0 KHAARO COc1cccc2c1OCCCn1cc(nn1)CC[N@H+](Cc1ccc(C)s1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952859574 1066521463 /nfs/dbraw/zinc/52/14/63/1066521463.db2.gz YPOMVCOXDHSCHD-NDEPHWFRSA-N 1 0 602.761 3.641 50 0 KHAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861546 1066521435 /nfs/dbraw/zinc/52/14/35/1066521435.db2.gz ANPFPAQKGFCTDV-IOWSJCHKSA-N 1 0 611.743 3.541 50 0 KHAARO CC1=C(CC[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)C(C)(C)CCC1 ZINC000952861764 1066522164 /nfs/dbraw/zinc/52/21/64/1066522164.db2.gz ALVNFNWPNDBODM-QHCPKHFHSA-N 1 0 556.748 3.867 50 0 KHAARO COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1cnc(-c3ccccc3C)s1)CCCNC2=O ZINC000952861774 1066522069 /nfs/dbraw/zinc/52/20/69/1066522069.db2.gz GUFHJRBQRKKVRY-QHCPKHFHSA-N 1 0 607.777 3.885 50 0 KHAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862147 1066522486 /nfs/dbraw/zinc/52/24/86/1066522486.db2.gz GGYCTDBVRFCRTK-KYJUHHDHSA-N 1 0 592.668 3.846 50 0 KHAARO CCCn1cc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c(C)n1 ZINC000952862336 1066522635 /nfs/dbraw/zinc/52/26/35/1066522635.db2.gz LLHRMCUHTYPWMK-MFMCTBQISA-N 1 0 513.642 3.732 50 0 KHAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccc(F)cc1Cl)CCCNC(=O)CC2 ZINC000952862645 1066523600 /nfs/dbraw/zinc/52/36/00/1066523600.db2.gz KFRIPZKDZNYCFP-NRFANRHFSA-N 1 0 591.124 3.565 50 0 KHAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(C[NH+](C)C)cs3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862954 1066523942 /nfs/dbraw/zinc/52/39/42/1066523942.db2.gz OGEHZZKJCICLFI-XCZPVHLTSA-N 1 0 548.709 3.882 50 0 KHAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3CCc4ccccc4CC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863147 1066524591 /nfs/dbraw/zinc/52/45/91/1066524591.db2.gz BXTMUNVOLVFAKN-CONSDPRKSA-N 1 0 570.690 3.609 50 0 KHAARO CCOC(=O)N1CCC([N@@H+]2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952863300 1066524402 /nfs/dbraw/zinc/52/44/02/1066524402.db2.gz HVTVVQYWSMVCSE-VMPREFPWSA-N 1 0 548.684 3.763 50 0 KHAARO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C3([NH+]4CCCC4)CCCC3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863312 1066524532 /nfs/dbraw/zinc/52/45/32/1066524532.db2.gz HWHIQUCLDAOUQB-XZWHSSHBSA-N 1 0 604.748 3.974 50 0 KHAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccncc3Cl)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863939 1066526062 /nfs/dbraw/zinc/52/60/62/1066526062.db2.gz FAAVGXGIQGHHHQ-VMPREFPWSA-N 1 0 610.111 3.755 50 0 KHAARO COCCN1CC(=O)N[C@H]2CN(Cc3sc(C)nc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864136 1066526113 /nfs/dbraw/zinc/52/61/13/1066526113.db2.gz LOXNANPPAJNGCL-WNJJXGMVSA-N 1 0 608.761 3.868 50 0 KHAARO CCCn1ncc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1C ZINC000952864524 1066527098 /nfs/dbraw/zinc/52/70/98/1066527098.db2.gz IMAXZJZATRXDCG-MFMCTBQISA-N 1 0 513.642 3.732 50 0 KHAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](CCC(C)C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864546 1066527031 /nfs/dbraw/zinc/52/70/31/1066527031.db2.gz IRWPCIVLTCWNIW-NSOVKSMOSA-N 1 0 554.688 3.552 50 0 KHAARO COc1ccnc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952864569 1066526850 /nfs/dbraw/zinc/52/68/50/1066526850.db2.gz IXRVTXZCTSMEIG-MFMCTBQISA-N 1 0 512.610 3.563 50 0 KHAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864784 1066527590 /nfs/dbraw/zinc/52/75/90/1066527590.db2.gz LXZHRVNCAOHEFR-SVBPBHIXSA-N 1 0 554.688 3.552 50 0 KHAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cnc(C3CCCCC3)nc1)CCCNC(=O)CC2 ZINC000952865006 1066528045 /nfs/dbraw/zinc/52/80/45/1066528045.db2.gz KYCNKQPHINMUIZ-VWLOTQADSA-N 1 0 622.811 3.610 50 0 KHAARO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865055 1066527939 /nfs/dbraw/zinc/52/79/39/1066527939.db2.gz MZAWBULDJZTDJX-KYJUHHDHSA-N 1 0 592.737 3.734 50 0 KHAARO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865438 1066529110 /nfs/dbraw/zinc/52/91/10/1066529110.db2.gz XUFULFOAYIKTMN-NYDCQLBNSA-N 1 0 584.717 3.923 50 0 KHAARO O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2C[N@H+](C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]2N1 ZINC000952865472 1066528846 /nfs/dbraw/zinc/52/88/46/1066528846.db2.gz YYHNDEMYVGWXKX-ACHIHNKUSA-N 1 0 581.717 3.842 50 0 KHAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3(c4ccccc4)CC[NH+](C)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865489 1066529075 /nfs/dbraw/zinc/52/90/75/1066529075.db2.gz ZHIWTWQBMFZGES-SMCANUKXSA-N 1 0 596.728 3.749 50 0 KHAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865595 1066528947 /nfs/dbraw/zinc/52/89/47/1066528947.db2.gz SMOGXDVHUXRGGW-SMCANUKXSA-N 1 0 582.701 3.863 50 0 KHAARO CCOC(=O)N1CCC([N@@H+]2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952865711 1066529505 /nfs/dbraw/zinc/52/95/05/1066529505.db2.gz XDAPBGKONDQTEE-IZEXYCQBSA-N 1 0 620.747 3.731 50 0 KHAARO COc1ccc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c(OC)c1OC ZINC000952866097 1066530299 /nfs/dbraw/zinc/53/02/99/1066530299.db2.gz ZXXHWUSJMBVOOR-XDFJSJKPSA-N 1 0 557.647 3.843 50 0 KHAARO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc3ccc(OCCO)cc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952867573 1066530026 /nfs/dbraw/zinc/53/00/26/1066530026.db2.gz PRFIWCGLSKUWQS-CONSDPRKSA-N 1 0 589.689 3.658 50 0 KHAARO COCCN1CC(=O)N[C@H]2C[N@@H+](C3CCCCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952867822 1066530271 /nfs/dbraw/zinc/53/02/71/1066530271.db2.gz SECSOLYNJABGAU-FIBWVYCGSA-N 1 0 565.711 3.927 50 0 KHAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCCNC(=O)CC2 ZINC000952869104 1066525574 /nfs/dbraw/zinc/52/55/74/1066525574.db2.gz XGJOVXUYGWOURC-YGPDHOBYSA-N 1 0 582.786 3.564 50 0 KHAARO NC(=O)C1CC[NH+](CCC(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)CC1 ZINC000952869152 1066525606 /nfs/dbraw/zinc/52/56/06/1066525606.db2.gz DMGROSKWIPCLQP-JGCGQSQUSA-N 1 0 598.700 3.758 50 0 KHAARO