smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=O)C2CC2)c(OC)cc1NC(=O)CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000881815 551556030 /nfs/dbraw/zinc/55/60/30/551556030.db2.gz XLZIIBHSDCHLLR-UHFFFAOYSA-N 1 0 508.619 3.552 40 0 KHABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 ZINC000000928160 551580912 /nfs/dbraw/zinc/58/09/12/551580912.db2.gz KMBAVWLDKCMBNH-UHFFFAOYSA-N 1 0 538.714 3.959 40 0 KHABRO CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374802 551654925 /nfs/dbraw/zinc/65/49/25/551654925.db2.gz XEVHXUIBRVWXRE-NRFANRHFSA-N 1 0 532.601 3.923 40 0 KHABRO CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374803 551654961 /nfs/dbraw/zinc/65/49/61/551654961.db2.gz XEVHXUIBRVWXRE-OAQYLSRUSA-N 1 0 532.601 3.923 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375305 551656481 /nfs/dbraw/zinc/65/64/81/551656481.db2.gz OUCSGSPYXHIUIO-DEOSSOPVSA-N 1 0 506.582 3.987 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375309 551656570 /nfs/dbraw/zinc/65/65/70/551656570.db2.gz AWAMRVFTRABZRT-VWLOTQADSA-N 1 0 518.618 3.857 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375459 551656993 /nfs/dbraw/zinc/65/69/93/551656993.db2.gz HXIUQZPFIOXQPG-DEOSSOPVSA-N 1 0 518.618 3.857 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375474 551657306 /nfs/dbraw/zinc/65/73/06/551657306.db2.gz RZEBIAOPKZCHSW-DEOSSOPVSA-N 1 0 502.619 3.891 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375475 551657272 /nfs/dbraw/zinc/65/72/72/551657272.db2.gz RZEBIAOPKZCHSW-XMMPIXPASA-N 1 0 502.619 3.891 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375611 551657433 /nfs/dbraw/zinc/65/74/33/551657433.db2.gz IFEAJUUQLIPJFI-DEOSSOPVSA-N 1 0 518.618 3.857 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375615 551657565 /nfs/dbraw/zinc/65/75/65/551657565.db2.gz VIAMXCREPUDSFD-QFIPXVFZSA-N 1 0 532.601 3.577 40 0 KHABRO Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000001381914 551658876 /nfs/dbraw/zinc/65/88/76/551658876.db2.gz QGAZISYNVVDWTM-SANMLTNESA-N 1 0 501.635 3.812 40 0 KHABRO Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000001381916 551658935 /nfs/dbraw/zinc/65/89/35/551658935.db2.gz QGAZISYNVVDWTM-AREMUKBSSA-N 1 0 501.635 3.812 40 0 KHABRO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000001382164 551659509 /nfs/dbraw/zinc/65/95/09/551659509.db2.gz ZVWPOIUAPXDLMB-NDEPHWFRSA-N 1 0 527.673 3.806 40 0 KHABRO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000001382165 551659521 /nfs/dbraw/zinc/65/95/21/551659521.db2.gz ZVWPOIUAPXDLMB-MUUNZHRXSA-N 1 0 527.673 3.806 40 0 KHABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000001382385 551659998 /nfs/dbraw/zinc/65/99/98/551659998.db2.gz MVXJZMHNEKIXSB-SANMLTNESA-N 1 0 501.635 3.758 40 0 KHABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000001382386 551659968 /nfs/dbraw/zinc/65/99/68/551659968.db2.gz MVXJZMHNEKIXSB-AREMUKBSSA-N 1 0 501.635 3.758 40 0 KHABRO Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)[C@@H](C)[NH3+])ccc1Oc1ncc(Br)cn1 ZINC000001633845 551687124 /nfs/dbraw/zinc/68/71/24/551687124.db2.gz PLLJSVYLRCMYEJ-CYBMUJFWSA-N 1 0 513.352 3.587 40 0 KHABRO COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000003841455 552420051 /nfs/dbraw/zinc/42/00/51/552420051.db2.gz WJJXMXYDNWGKTJ-VQTJNVASSA-N 1 0 518.639 3.769 40 0 biogenic,in-vitro KHABRO Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5cccc(F)c5)ccc43)C2)c2ccccc21 ZINC000003841486 552420053 /nfs/dbraw/zinc/42/00/53/552420053.db2.gz BAARKBBMTGOECP-RBUKOAKNSA-N 1 0 506.603 3.899 40 0 biogenic,in-vitro KHABRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000003918332 552422299 /nfs/dbraw/zinc/42/22/99/552422299.db2.gz AYBCFPXLXOLPIZ-JIPXPUAJSA-N 1 0 567.694 3.637 40 0 in-vitro KHABRO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000004147944 552442921 /nfs/dbraw/zinc/44/29/21/552442921.db2.gz BLFGBFOVPSVBNN-LEWJYISDSA-N 1 0 545.665 3.719 40 0 biogenic,in-vitro KHABRO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000004213752 552449574 /nfs/dbraw/zinc/44/95/74/552449574.db2.gz KFDDPVMIQMFHBI-QCGGYASCSA-N 1 0 578.662 3.919 40 0 in-man KHABRO CSCC[C@H](NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000004535845 552464148 /nfs/dbraw/zinc/46/41/48/552464148.db2.gz QVSKZGQYQLYCFO-HRHHFINDSA-N 1 0 667.829 3.843 40 0 KHABRO CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000004535848 552464063 /nfs/dbraw/zinc/46/40/63/552464063.db2.gz QVSKZGQYQLYCFO-FEVNIDIWSA-N 1 0 667.829 3.843 40 0 KHABRO CCOC(=O)c1c[n+]([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)ccc1N ZINC000004896400 552488998 /nfs/dbraw/zinc/48/89/98/552488998.db2.gz DVKZLWGNHHSICM-KJHMZRPRSA-O 1 0 611.627 3.939 40 0 KHABRO CCOC(=O)c1c[n+]([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)ccc1N ZINC000004896401 552489022 /nfs/dbraw/zinc/48/90/22/552489022.db2.gz DVKZLWGNHHSICM-MIPYOGIXSA-O 1 0 611.627 3.939 40 0 KHABRO CCOC(=O)c1c[n+]([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)ccc1N ZINC000004896402 552489028 /nfs/dbraw/zinc/48/90/28/552489028.db2.gz DVKZLWGNHHSICM-XJYHXZFBSA-O 1 0 611.627 3.939 40 0 KHABRO CCOC(=O)c1c[n+]([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)ccc1N ZINC000004896403 552489090 /nfs/dbraw/zinc/48/90/90/552489090.db2.gz DVKZLWGNHHSICM-RRGQHJHPSA-O 1 0 611.627 3.939 40 0 KHABRO CNC(=O)c1ccc[n+]([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1 ZINC000004897177 552489051 /nfs/dbraw/zinc/48/90/51/552489051.db2.gz NDNGAXFXXZXRSA-CIXDGQAGSA-O 1 0 581.601 3.539 40 0 KHABRO CNC(=O)c1ccc[n+]([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1 ZINC000004897178 552489105 /nfs/dbraw/zinc/48/91/05/552489105.db2.gz NDNGAXFXXZXRSA-UIRWWBRLSA-O 1 0 581.601 3.539 40 0 KHABRO CNC(=O)c1ccc[n+]([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1 ZINC000004897179 552489094 /nfs/dbraw/zinc/48/90/94/552489094.db2.gz NDNGAXFXXZXRSA-TYKILGCBSA-O 1 0 581.601 3.539 40 0 KHABRO CNC(=O)c1ccc[n+]([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1 ZINC000004897180 552489093 /nfs/dbraw/zinc/48/90/93/552489093.db2.gz NDNGAXFXXZXRSA-WPJHEWCLSA-O 1 0 581.601 3.539 40 0 KHABRO O=C(CNC(=O)OCc1ccccc1)NCCCCCC[NH2+]CCCCCCNC(=O)CNC(=O)OCc1ccccc1 ZINC000004958191 552490408 /nfs/dbraw/zinc/49/04/08/552490408.db2.gz WHUFWQUXMODWOD-UHFFFAOYSA-N 1 0 597.757 3.782 40 0 KHABRO CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000005580449 552505466 /nfs/dbraw/zinc/50/54/66/552505466.db2.gz CEIALHUCRRVMCS-UHFFFAOYSA-N 1 0 541.652 3.635 40 0 KHABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1C(=O)OC ZINC000006078218 552529521 /nfs/dbraw/zinc/52/95/21/552529521.db2.gz HSWQEXHLHAOJKW-UHFFFAOYSA-N 1 0 524.643 3.974 40 0 KHABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccccc1C(=O)OC ZINC000006078359 552529484 /nfs/dbraw/zinc/52/94/84/552529484.db2.gz MVVMDEOTZYYMDL-UHFFFAOYSA-N 1 0 524.643 3.627 40 0 KHABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1C(=O)OC ZINC000006078369 552529444 /nfs/dbraw/zinc/52/94/44/552529444.db2.gz NDGXWUARBBWTRS-UHFFFAOYSA-N 1 0 510.616 3.584 40 0 KHABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000006192992 552564913 /nfs/dbraw/zinc/56/49/13/552564913.db2.gz IARXQAFKASRUSJ-UHFFFAOYSA-N 1 0 568.740 3.968 40 0 KHABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCc1ccccc1 ZINC000006192993 552564824 /nfs/dbraw/zinc/56/48/24/552564824.db2.gz XZPGAMLQSKZSEX-UHFFFAOYSA-N 1 0 508.688 3.950 40 0 KHABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000006193008 552564829 /nfs/dbraw/zinc/56/48/29/552564829.db2.gz LZRQQCOKTWRBLU-UHFFFAOYSA-N 1 0 554.713 3.925 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006193189 552565157 /nfs/dbraw/zinc/56/51/57/552565157.db2.gz RFZRBQYXMFAQJS-UHFFFAOYSA-N 1 0 524.687 3.917 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006193190 552565179 /nfs/dbraw/zinc/56/51/79/552565179.db2.gz JRFUCUFLFBVVAS-UHFFFAOYSA-N 1 0 510.660 3.874 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006193200 552565165 /nfs/dbraw/zinc/56/51/65/552565165.db2.gz BZSLRWZXBZANMR-UHFFFAOYSA-N 1 0 510.660 3.874 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006193204 552565177 /nfs/dbraw/zinc/56/51/77/552565177.db2.gz MXRVMHMFYFWTOC-UHFFFAOYSA-N 1 0 538.670 3.637 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006193205 552565154 /nfs/dbraw/zinc/56/51/54/552565154.db2.gz KRZSQJREAGSKIR-UHFFFAOYSA-N 1 0 524.643 3.594 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000006193207 552565136 /nfs/dbraw/zinc/56/51/36/552565136.db2.gz SDFJLROGXHJJRD-UHFFFAOYSA-N 1 0 510.660 3.874 40 0 KHABRO CC[NH+](CC)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006193252 552565182 /nfs/dbraw/zinc/56/51/82/552565182.db2.gz CKQFOWUZVPGDOJ-UHFFFAOYSA-N 1 0 500.690 3.969 40 0 KHABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000006193310 552565140 /nfs/dbraw/zinc/56/51/40/552565140.db2.gz UKJZQBSEOVKEGA-UHFFFAOYSA-N 1 0 556.729 3.824 40 0 KHABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000006193378 552565440 /nfs/dbraw/zinc/56/54/40/552565440.db2.gz JCHWATOULWNWLU-UHFFFAOYSA-N 1 0 554.713 3.578 40 0 KHABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000006193399 552565410 /nfs/dbraw/zinc/56/54/10/552565410.db2.gz BPFJISOYVHNTTD-UHFFFAOYSA-N 1 0 540.686 3.535 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC3CCCC3)c3ccncc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000006281125 552576974 /nfs/dbraw/zinc/57/69/74/552576974.db2.gz IXUHYJYVLHPZDV-PMERELPUSA-N 1 0 582.709 3.930 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC3CCCC3)c3ccncc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000006281130 552576982 /nfs/dbraw/zinc/57/69/82/552576982.db2.gz IXUHYJYVLHPZDV-SSEXGKCCSA-N 1 0 582.709 3.930 40 0 KHABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 ZINC000006287953 552578382 /nfs/dbraw/zinc/57/83/82/552578382.db2.gz ZOZZWXIIGHKGES-UHFFFAOYSA-N 1 0 514.820 3.823 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000006511195 552597080 /nfs/dbraw/zinc/59/70/80/552597080.db2.gz DXHZDQOYFYXCBD-MHZLTWQESA-N 1 0 583.709 3.713 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000006511198 552597051 /nfs/dbraw/zinc/59/70/51/552597051.db2.gz AYCMGGQZBZGDFG-DEOSSOPVSA-N 1 0 527.645 3.597 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511199 552597101 /nfs/dbraw/zinc/59/71/01/552597101.db2.gz XBWRZIDPRXXNBW-LJAQVGFWSA-N 1 0 595.720 3.857 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511201 552597048 /nfs/dbraw/zinc/59/70/48/552597048.db2.gz GQZLUXLOESYWGH-SANMLTNESA-N 1 0 539.656 3.741 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000006511225 552597024 /nfs/dbraw/zinc/59/70/24/552597024.db2.gz DXHZDQOYFYXCBD-HHHXNRCGSA-N 1 0 583.709 3.713 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000006511227 552597113 /nfs/dbraw/zinc/59/71/13/552597113.db2.gz AYCMGGQZBZGDFG-XMMPIXPASA-N 1 0 527.645 3.597 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511228 552597090 /nfs/dbraw/zinc/59/70/90/552597090.db2.gz XBWRZIDPRXXNBW-GDLZYMKVSA-N 1 0 595.720 3.857 40 0 KHABRO CC[NH+](CC)CCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006511229 552597093 /nfs/dbraw/zinc/59/70/93/552597093.db2.gz GQZLUXLOESYWGH-AREMUKBSSA-N 1 0 539.656 3.741 40 0 KHABRO CC[NH+](CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511794 552597224 /nfs/dbraw/zinc/59/72/24/552597224.db2.gz SDAAQQLFKPRPMV-SANMLTNESA-N 1 0 539.656 3.741 40 0 KHABRO CC[NH+](CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006511826 552597471 /nfs/dbraw/zinc/59/74/71/552597471.db2.gz SDAAQQLFKPRPMV-AREMUKBSSA-N 1 0 539.656 3.741 40 0 KHABRO C[NH+](C)CCCn1c(SCC(=O)Nc2cccc(I)c2)nnc1-c1ccncc1 ZINC000006878658 552975994 /nfs/dbraw/zinc/97/59/94/552975994.db2.gz TXVZTDKLVDJYKL-UHFFFAOYSA-N 1 0 522.416 3.627 40 0 KHABRO COc1ccccc1N1CCN(C(=O)[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3Cn2cc(CSc3ccccc3)nn2)CC1 ZINC000008254017 1066492211 /nfs/dbraw/zinc/49/22/11/1066492211.db2.gz YQXRSXHDCGSKAA-FBILRYNDSA-N 1 0 532.714 3.638 40 0 biogenic,in-vitro KHABRO CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)N(CC)C(=O)NCCC[NH+](C)C)[C@@H](CC)C2)c1 ZINC000008295696 552985438 /nfs/dbraw/zinc/98/54/38/552985438.db2.gz XFBOISGDSSPOMI-SFTDATJTSA-N 1 0 517.671 3.643 40 0 biogenic,in-vitro KHABRO CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299181 552985739 /nfs/dbraw/zinc/98/57/39/552985739.db2.gz YUDFAIUFRMRAJW-QTJGBDASSA-N 1 0 501.631 3.998 40 0 biogenic,in-vitro KHABRO CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299184 565093967 /nfs/dbraw/zinc/09/39/67/565093967.db2.gz YUDFAIUFRMRAJW-JRFVFWCSSA-N 1 0 501.631 3.998 40 0 biogenic,in-vitro KHABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(c4ccccc4OC)CC3)no2)cc1 ZINC000008623705 553103699 /nfs/dbraw/zinc/10/36/99/553103699.db2.gz NCUDUTWJAWTUPN-GOTSBHOMSA-N 1 0 504.631 3.866 40 0 biogenic,in-vitro KHABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)n2)cc1OC ZINC000008635507 560107089 /nfs/dbraw/zinc/10/70/89/560107089.db2.gz LEPDNNZUZROFIG-BWAGFHJFSA-N 1 0 550.656 3.738 40 0 biogenic,in-vitro KHABRO S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cccn2)cc1 ZINC000008636252 560106639 /nfs/dbraw/zinc/10/66/39/560106639.db2.gz DRKDOZYJIPVGNG-IBGGVINMSA-N 1 0 515.731 3.691 40 0 biogenic,in-vitro KHABRO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccccc32)cc1 ZINC000009046109 553203605 /nfs/dbraw/zinc/20/36/05/553203605.db2.gz NCWMIZJSSSWXSP-VWDBNSKXSA-N 1 0 504.546 3.538 40 0 KHABRO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000009046112 553203808 /nfs/dbraw/zinc/20/38/08/553203808.db2.gz NCWMIZJSSSWXSP-NHICWYPXSA-N 1 0 504.546 3.538 40 0 KHABRO C[NH2+][C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(c4ccccc4OC)CC3)c(=O)cc21 ZINC000009066940 553206422 /nfs/dbraw/zinc/20/64/22/553206422.db2.gz PATQVDXEEHNQRS-HSZRJFAPSA-O 1 0 532.661 3.593 40 0 KHABRO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(c4ccccc4OC)CC3)c(=O)cc21 ZINC000009066944 553206406 /nfs/dbraw/zinc/20/64/06/553206406.db2.gz PATQVDXEEHNQRS-QHCPKHFHSA-O 1 0 532.661 3.593 40 0 KHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)C1 ZINC000009694780 553299661 /nfs/dbraw/zinc/29/96/61/553299661.db2.gz BALQRXXXRFCHLD-OYRHEFFESA-N 1 0 504.672 3.737 40 0 KHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)C1 ZINC000009694781 553299670 /nfs/dbraw/zinc/29/96/70/553299670.db2.gz BALQRXXXRFCHLD-SFTDATJTSA-N 1 0 504.672 3.737 40 0 KHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)C1 ZINC000009694782 553299651 /nfs/dbraw/zinc/29/96/51/553299651.db2.gz BALQRXXXRFCHLD-NHCUHLMSSA-N 1 0 504.672 3.737 40 0 KHABRO CC(C)[N@H+](CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)Cc1ccco1 ZINC000009831386 553309400 /nfs/dbraw/zinc/30/94/00/553309400.db2.gz HFHOSGDEVHSOFC-UHFFFAOYSA-N 1 0 512.614 3.645 40 0 KHABRO Cc1ccc(Cn2c3nnc(CCC(=O)NCC[N@H+](Cc4ccco4)C(C)C)n3c3ccccc3c2=O)cc1 ZINC000009831422 553309390 /nfs/dbraw/zinc/30/93/90/553309390.db2.gz BVCSLRKIJDNXBN-UHFFFAOYSA-N 1 0 526.641 3.953 40 0 KHABRO CC(C)CCn1c2nnc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2c2ccccc2c1=O ZINC000009831583 553309755 /nfs/dbraw/zinc/30/97/55/553309755.db2.gz AHTZPCPMDJCPSJ-UHFFFAOYSA-N 1 0 500.647 3.804 40 0 KHABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000010111150 553328243 /nfs/dbraw/zinc/32/82/43/553328243.db2.gz GKFGERKBJANKAB-UHFFFAOYSA-N 1 0 503.665 3.590 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(C)cc2)cc1OC ZINC000010111188 553328402 /nfs/dbraw/zinc/32/84/02/553328402.db2.gz YMHUYRYIOPSMDB-UHFFFAOYSA-N 1 0 503.665 3.590 40 0 KHABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000010277546 553331446 /nfs/dbraw/zinc/33/14/46/553331446.db2.gz HARAOXOIHJUWDY-UHFFFAOYSA-N 1 0 508.482 3.945 40 0 KHABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000010278193 553331437 /nfs/dbraw/zinc/33/14/37/553331437.db2.gz ADZGWCLJUKXFRC-UHFFFAOYSA-N 1 0 505.706 3.995 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C)cc2)cc1Br ZINC000010450093 553337094 /nfs/dbraw/zinc/33/70/94/553337094.db2.gz LCYIMLCKNZZFPH-UHFFFAOYSA-N 1 0 524.481 3.564 40 0 KHABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000010450102 553337128 /nfs/dbraw/zinc/33/71/28/553337128.db2.gz IYYMTBFSLAFYBW-UHFFFAOYSA-N 1 0 524.481 3.645 40 0 KHABRO CC1CC[NH+](CCCNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000010540368 553337452 /nfs/dbraw/zinc/33/74/52/553337452.db2.gz HPNIFYIEIAXVBE-UHFFFAOYSA-N 1 0 508.482 3.883 40 0 KHABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000010540372 553337474 /nfs/dbraw/zinc/33/74/74/553337474.db2.gz LVCKTBOAILLWNR-UHFFFAOYSA-N 1 0 508.482 3.883 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccc(Cl)cc2)cc1OC ZINC000010540817 553337652 /nfs/dbraw/zinc/33/76/52/553337652.db2.gz GBZVCGYKBMKZBJ-UHFFFAOYSA-N 1 0 524.083 3.791 40 0 KHABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1)Cc1ccccc1 ZINC000012482063 553375491 /nfs/dbraw/zinc/37/54/91/553375491.db2.gz JUCOJCXSYMOEGY-NSOVKSMOSA-N 1 0 515.702 3.809 40 0 biogenic,in-vitro KHABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3ccc(F)cc3)CC2)no1)Cc1ccccc1 ZINC000012482147 1066881102 /nfs/dbraw/zinc/88/11/02/1066881102.db2.gz HQTAXDRJHWJSAK-DQEYMECFSA-N 1 0 519.665 3.953 40 0 biogenic,in-vitro KHABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1)c1ccccc1 ZINC000012482598 553375858 /nfs/dbraw/zinc/37/58/58/553375858.db2.gz GKZTZHYAKLLQAA-UIOOFZCWSA-N 1 0 501.675 3.814 40 0 biogenic,in-vitro KHABRO COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 ZINC000012482690 553375883 /nfs/dbraw/zinc/37/58/83/553375883.db2.gz VFIVDTRWRDZONZ-ZEQRLZLVSA-N 1 0 517.674 3.827 40 0 biogenic,in-vitro KHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)N1CCc2ccccc2C1 ZINC000012483046 553376247 /nfs/dbraw/zinc/37/62/47/553376247.db2.gz VLMMCIZUXFKERH-BDYUSTAISA-N 1 0 513.686 3.740 40 0 biogenic,in-vitro KHABRO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064423 553443921 /nfs/dbraw/zinc/44/39/21/553443921.db2.gz WHPVSYJLEHUPCT-JTHBVZDNSA-N 1 0 508.623 3.751 40 0 KHABRO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064424 553443990 /nfs/dbraw/zinc/44/39/90/553443990.db2.gz WHPVSYJLEHUPCT-GMAHTHKFSA-N 1 0 508.623 3.751 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494741 553460324 /nfs/dbraw/zinc/46/03/24/553460324.db2.gz SQBKNIPVEBGCMJ-DEOSSOPVSA-N 1 0 504.591 3.630 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(C)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494869 553460824 /nfs/dbraw/zinc/46/08/24/553460824.db2.gz HEIUOWUTJCKTIJ-VWLOTQADSA-N 1 0 518.618 3.938 40 0 KHABRO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494887 553460776 /nfs/dbraw/zinc/46/07/76/553460776.db2.gz IZLRCQBMTOWACV-LADGPHEKSA-N 1 0 516.602 3.884 40 0 KHABRO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494890 553460842 /nfs/dbraw/zinc/46/08/42/553460842.db2.gz IZLRCQBMTOWACV-UPVQGACJSA-N 1 0 516.602 3.884 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495047 553461016 /nfs/dbraw/zinc/46/10/16/553461016.db2.gz XBUKSHGDJIDPEQ-QHCPKHFHSA-N 1 0 506.582 3.987 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495079 553461323 /nfs/dbraw/zinc/46/13/23/553461323.db2.gz XIRKDYVDQYUNKU-DEOSSOPVSA-N 1 0 522.581 3.769 40 0 KHABRO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495088 553461269 /nfs/dbraw/zinc/46/12/69/553461269.db2.gz ZALHTMDKRYWOHA-JTHBVZDNSA-N 1 0 520.565 3.715 40 0 KHABRO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495090 553461274 /nfs/dbraw/zinc/46/12/74/553461274.db2.gz ZALHTMDKRYWOHA-GMAHTHKFSA-N 1 0 520.565 3.715 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495185 553461671 /nfs/dbraw/zinc/46/16/71/553461671.db2.gz JLNREFRZGXGCQF-DEOSSOPVSA-N 1 0 518.618 3.857 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500352 553466095 /nfs/dbraw/zinc/46/60/95/553466095.db2.gz GCVNREKQFCFVBM-VWLOTQADSA-N 1 0 506.582 3.925 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500358 553465993 /nfs/dbraw/zinc/46/59/93/553465993.db2.gz XOWZPATYVSIPAT-SANMLTNESA-N 1 0 518.618 3.794 40 0 KHABRO Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500660 553466048 /nfs/dbraw/zinc/46/60/48/553466048.db2.gz ITVXSOCELMHKAW-MUUNZHRXSA-N 1 0 529.689 3.793 40 0 KHABRO Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500661 553466014 /nfs/dbraw/zinc/46/60/14/553466014.db2.gz ITVXSOCELMHKAW-NDEPHWFRSA-N 1 0 529.689 3.793 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013647043 553480006 /nfs/dbraw/zinc/48/00/06/553480006.db2.gz UKCPUCJYOLTGQW-UHFFFAOYSA-N 1 0 503.665 3.590 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2cc(C)cc(C)c2)cc1OC ZINC000013647734 553480201 /nfs/dbraw/zinc/48/02/01/553480201.db2.gz ADBGCIIMNGNGLC-UHFFFAOYSA-N 1 0 517.692 3.754 40 0 KHABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013648891 553480309 /nfs/dbraw/zinc/48/03/09/553480309.db2.gz YTYDXWIBKWQZFC-UHFFFAOYSA-N 1 0 533.691 3.536 40 0 KHABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000013668539 553481005 /nfs/dbraw/zinc/48/10/05/553481005.db2.gz ZZKJFFFBJQGQJX-UHFFFAOYSA-N 1 0 503.665 3.590 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cc(C)cc(C)c2)cc1OC ZINC000013669097 553481240 /nfs/dbraw/zinc/48/12/40/553481240.db2.gz RFZAYILMUJYLKH-UHFFFAOYSA-N 1 0 503.665 3.508 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2cc(C)cc(C)c2)cc1OC ZINC000013670155 553481682 /nfs/dbraw/zinc/48/16/82/553481682.db2.gz LBVNJKCPRHTIOU-UHFFFAOYSA-N 1 0 517.692 3.898 40 0 KHABRO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013670533 553481789 /nfs/dbraw/zinc/48/17/89/553481789.db2.gz SPLUUOLPDVALBR-UHFFFAOYSA-N 1 0 505.706 3.995 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(Cl)cc2)cc1OC ZINC000013671598 553482112 /nfs/dbraw/zinc/48/21/12/553482112.db2.gz WKHKYPMJYSXGOY-UHFFFAOYSA-N 1 0 524.083 3.935 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1OC ZINC000013673885 553482441 /nfs/dbraw/zinc/48/24/41/553482441.db2.gz BMSQIWPGBAJNGP-UHFFFAOYSA-N 1 0 510.056 3.545 40 0 KHABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cccc(Br)c2)cc1 ZINC000013675219 553482592 /nfs/dbraw/zinc/48/25/92/553482592.db2.gz OYKFLLGHTOIGPO-UHFFFAOYSA-N 1 0 508.482 3.945 40 0 KHABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013675410 553482654 /nfs/dbraw/zinc/48/26/54/553482654.db2.gz ZHCOTJTYHLICMF-UHFFFAOYSA-N 1 0 533.691 3.680 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000015319393 553531720 /nfs/dbraw/zinc/53/17/20/553531720.db2.gz JMXMFWMSRKNQRT-NCSMZBETSA-N 1 0 525.605 3.769 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000015319396 553531747 /nfs/dbraw/zinc/53/17/47/553531747.db2.gz JMXMFWMSRKNQRT-JLZOGSKTSA-N 1 0 525.605 3.769 40 0 KHABRO COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1 ZINC000015673585 553534010 /nfs/dbraw/zinc/53/40/10/553534010.db2.gz FBVRMVWAQQFVDU-GOTSBHOMSA-N 1 0 504.631 3.769 40 0 biogenic,in-vitro KHABRO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195635 553556467 /nfs/dbraw/zinc/55/64/67/553556467.db2.gz ZQTKOMNSVPUQCG-UHFFFAOYSA-N 1 0 500.770 3.719 40 0 KHABRO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016385008 553561899 /nfs/dbraw/zinc/56/18/99/553561899.db2.gz QFXNHEJYRCGNLV-UHFFFAOYSA-N 1 0 515.195 3.820 40 0 KHABRO C[C@@]1(C[NH+]2CCCCC2)COc2c(I)cc(I)cc2C1=O ZINC000016578170 553568727 /nfs/dbraw/zinc/56/87/27/553568727.db2.gz LUVOHNIKHKFDCP-MRXNPFEDSA-N 1 0 511.141 3.963 40 0 KHABRO C[C@]1(C[NH+]2CCCCC2)COc2c(I)cc(I)cc2C1=O ZINC000016578172 553568691 /nfs/dbraw/zinc/56/86/91/553568691.db2.gz LUVOHNIKHKFDCP-INIZCTEOSA-N 1 0 511.141 3.963 40 0 KHABRO Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)[C@H](C)[NH3+])ccc1Oc1ncc(Br)cn1 ZINC000017219391 553590927 /nfs/dbraw/zinc/59/09/27/553590927.db2.gz PLLJSVYLRCMYEJ-ZDUSSCGKSA-N 1 0 513.352 3.587 40 0 KHABRO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817950 553619013 /nfs/dbraw/zinc/61/90/13/553619013.db2.gz AXRSJOFRAYYSJT-KAYWLYCHSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817953 193886716 /nfs/dbraw/zinc/88/67/16/193886716.db2.gz AXRSJOFRAYYSJT-RRPNLBNLSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817956 553619084 /nfs/dbraw/zinc/61/90/84/553619084.db2.gz AXRSJOFRAYYSJT-SXOMAYOGSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817958 193886884 /nfs/dbraw/zinc/88/68/84/193886884.db2.gz AXRSJOFRAYYSJT-SVBPBHIXSA-N 1 0 526.637 3.809 40 0 KHABRO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019941317 553643379 /nfs/dbraw/zinc/64/33/79/553643379.db2.gz QYPSLFJDMJSJEG-NDEPHWFRSA-N 1 0 527.673 3.920 40 0 KHABRO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019941318 553643421 /nfs/dbraw/zinc/64/34/21/553643421.db2.gz QYPSLFJDMJSJEG-MUUNZHRXSA-N 1 0 527.673 3.920 40 0 KHABRO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019941542 553644774 /nfs/dbraw/zinc/64/47/74/553644774.db2.gz YGAGHUFSHXFJQU-NDEPHWFRSA-N 1 0 527.673 3.920 40 0 KHABRO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019941543 553644732 /nfs/dbraw/zinc/64/47/32/553644732.db2.gz YGAGHUFSHXFJQU-MUUNZHRXSA-N 1 0 527.673 3.920 40 0 KHABRO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000020080012 553677837 /nfs/dbraw/zinc/67/78/37/553677837.db2.gz UQLORGJESYJRFP-HHHXNRCGSA-N 1 0 513.646 3.611 40 0 KHABRO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000020080014 553677767 /nfs/dbraw/zinc/67/77/67/553677767.db2.gz UQLORGJESYJRFP-MHZLTWQESA-N 1 0 513.646 3.611 40 0 KHABRO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080217 553678317 /nfs/dbraw/zinc/67/83/17/553678317.db2.gz DGGDVMLSNCQZHT-HHHXNRCGSA-N 1 0 513.646 3.611 40 0 KHABRO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080220 553678278 /nfs/dbraw/zinc/67/82/78/553678278.db2.gz DGGDVMLSNCQZHT-MHZLTWQESA-N 1 0 513.646 3.611 40 0 KHABRO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080229 553678311 /nfs/dbraw/zinc/67/83/11/553678311.db2.gz FRAPINACJHBWKM-HHHXNRCGSA-N 1 0 531.636 3.750 40 0 KHABRO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080232 553678322 /nfs/dbraw/zinc/67/83/22/553678322.db2.gz FRAPINACJHBWKM-MHZLTWQESA-N 1 0 531.636 3.750 40 0 KHABRO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020080639 553679125 /nfs/dbraw/zinc/67/91/25/553679125.db2.gz DTDAEKMLDVHOIL-VWLOTQADSA-N 1 0 523.682 3.717 40 0 KHABRO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020080643 553679073 /nfs/dbraw/zinc/67/90/73/553679073.db2.gz DTDAEKMLDVHOIL-RUZDIDTESA-N 1 0 523.682 3.717 40 0 KHABRO COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000020080646 553679141 /nfs/dbraw/zinc/67/91/41/553679141.db2.gz WOGYNDYPYXVZFQ-AREMUKBSSA-N 1 0 521.666 3.687 40 0 KHABRO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000020080648 553679107 /nfs/dbraw/zinc/67/91/07/553679107.db2.gz WOGYNDYPYXVZFQ-SANMLTNESA-N 1 0 521.666 3.687 40 0 KHABRO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1)OCO3 ZINC000020080846 553679461 /nfs/dbraw/zinc/67/94/61/553679461.db2.gz NRRMHHZXIWIQLR-AREMUKBSSA-N 1 0 519.650 3.788 40 0 KHABRO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1)OCO3 ZINC000020080849 553679557 /nfs/dbraw/zinc/67/95/57/553679557.db2.gz NRRMHHZXIWIQLR-SANMLTNESA-N 1 0 519.650 3.788 40 0 KHABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347400 553640092 /nfs/dbraw/zinc/64/00/92/553640092.db2.gz NBPFHMQFQYDYGP-RPLLCQBOSA-N 1 0 501.627 3.582 40 0 KHABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347402 553640027 /nfs/dbraw/zinc/64/00/27/553640027.db2.gz NBPFHMQFQYDYGP-IGKIAQTJSA-N 1 0 501.627 3.582 40 0 KHABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347404 553639975 /nfs/dbraw/zinc/63/99/75/553639975.db2.gz NBPFHMQFQYDYGP-SHQCIBLASA-N 1 0 501.627 3.582 40 0 KHABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347405 553640010 /nfs/dbraw/zinc/64/00/10/553640010.db2.gz NBPFHMQFQYDYGP-SQHAQQRYSA-N 1 0 501.627 3.582 40 0 KHABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020464704 553656846 /nfs/dbraw/zinc/65/68/46/553656846.db2.gz FXMQZEPAPMENGX-PUHDZGQXSA-N 1 0 509.474 3.596 40 0 biogenic,in-vitro KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020637162 553681433 /nfs/dbraw/zinc/68/14/33/553681433.db2.gz AGZKYVZJUCJVEM-WOJBJXKFSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020637164 553681456 /nfs/dbraw/zinc/68/14/56/553681456.db2.gz AGZKYVZJUCJVEM-VQTJNVASSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020637167 553681480 /nfs/dbraw/zinc/68/14/80/553681480.db2.gz AGZKYVZJUCJVEM-UXHICEINSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020637169 553681477 /nfs/dbraw/zinc/68/14/77/553681477.db2.gz AGZKYVZJUCJVEM-PMACEKPBSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801755 553698406 /nfs/dbraw/zinc/69/84/06/553698406.db2.gz LCEDMGOFHKDXTL-WOJBJXKFSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020801758 553698272 /nfs/dbraw/zinc/69/82/72/553698272.db2.gz LCEDMGOFHKDXTL-VQTJNVASSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801761 553698410 /nfs/dbraw/zinc/69/84/10/553698410.db2.gz LCEDMGOFHKDXTL-UXHICEINSA-N 1 0 508.928 3.887 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020801764 553698376 /nfs/dbraw/zinc/69/83/76/553698376.db2.gz LCEDMGOFHKDXTL-PMACEKPBSA-N 1 0 508.928 3.887 40 0 KHABRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1 ZINC000022061375 553725151 /nfs/dbraw/zinc/72/51/51/553725151.db2.gz QEQWNPDNPZKKNH-UHFFFAOYSA-N 1 0 509.614 3.829 40 0 in-vitro KHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000022108636 553726125 /nfs/dbraw/zinc/72/61/25/553726125.db2.gz PFSJPITXGFZMGY-UHFFFAOYSA-N 1 0 507.572 3.768 40 0 KHABRO Fc1ccc(NC(=S)NCCCN2CC[NH+](CCCNC(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000022584823 553747504 /nfs/dbraw/zinc/74/75/04/553747504.db2.gz GHCBMIVHVFPAAK-UHFFFAOYSA-N 1 0 506.692 3.636 40 0 KHABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCN3CCOCC3)C[C@@H](c3ccc(F)cc3)N21 ZINC000022796381 291812313 /nfs/dbraw/zinc/81/23/13/291812313.db2.gz DEMBFOPUNBCTCM-VPIUVCPKSA-N 1 0 506.622 3.573 40 0 biogenic,in-vitro KHABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H]([NH2+]CCN3CCOCC3)C[C@@H](c3ccc(F)cc3)N21 ZINC000022796388 291812307 /nfs/dbraw/zinc/81/23/07/291812307.db2.gz DEMBFOPUNBCTCM-DXXVALNZSA-N 1 0 506.622 3.573 40 0 biogenic,in-vitro KHABRO Cc1ccccc1C(=O)N/C(=C/c1ccc(-c2cccnc2Cl)o1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022797028 553751115 /nfs/dbraw/zinc/75/11/15/553751115.db2.gz FEEUQLPDCLBVSQ-LYBHJNIJSA-N 1 0 522.049 3.828 40 0 KHABRO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022829663 553754430 /nfs/dbraw/zinc/75/44/30/553754430.db2.gz HCNVCYZFCYEURM-UHFFFAOYSA-N 1 0 520.699 3.758 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000022838928 553758159 /nfs/dbraw/zinc/75/81/59/553758159.db2.gz WCYROWFQKKDZFL-CLJLJLNGSA-N 1 0 514.601 3.939 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000022838933 553758113 /nfs/dbraw/zinc/75/81/13/553758113.db2.gz WCYROWFQKKDZFL-IZZNHLLZSA-N 1 0 514.601 3.939 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000022838937 553758144 /nfs/dbraw/zinc/75/81/44/553758144.db2.gz WCYROWFQKKDZFL-FTJBHMTQSA-N 1 0 514.601 3.939 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000022838942 553758151 /nfs/dbraw/zinc/75/81/51/553758151.db2.gz WCYROWFQKKDZFL-UIOOFZCWSA-N 1 0 514.601 3.939 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000022860785 553762841 /nfs/dbraw/zinc/76/28/41/553762841.db2.gz MEIUOIVLDZPICB-KAYWLYCHSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000022860791 553762906 /nfs/dbraw/zinc/76/29/06/553762906.db2.gz MEIUOIVLDZPICB-RRPNLBNLSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000022860794 553762833 /nfs/dbraw/zinc/76/28/33/553762833.db2.gz MEIUOIVLDZPICB-SXOMAYOGSA-N 1 0 526.637 3.809 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000022860796 553762880 /nfs/dbraw/zinc/76/28/80/553762880.db2.gz MEIUOIVLDZPICB-SVBPBHIXSA-N 1 0 526.637 3.809 40 0 KHABRO COc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000022867563 553764060 /nfs/dbraw/zinc/76/40/60/553764060.db2.gz NUBLXIHTXOFJKY-NDEPHWFRSA-N 1 0 543.672 3.620 40 0 KHABRO COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000022867584 553764124 /nfs/dbraw/zinc/76/41/24/553764124.db2.gz NUBLXIHTXOFJKY-MUUNZHRXSA-N 1 0 543.672 3.620 40 0 KHABRO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022871802 553765831 /nfs/dbraw/zinc/76/58/31/553765831.db2.gz TYWJUNUMVSKRKJ-PMERELPUSA-N 1 0 549.679 3.966 40 0 KHABRO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022871855 553765838 /nfs/dbraw/zinc/76/58/38/553765838.db2.gz TYWJUNUMVSKRKJ-SSEXGKCCSA-N 1 0 549.679 3.966 40 0 KHABRO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022872837 553766221 /nfs/dbraw/zinc/76/62/21/553766221.db2.gz XYJIJTJDCSFARP-PMERELPUSA-N 1 0 549.679 3.966 40 0 KHABRO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022872896 553766069 /nfs/dbraw/zinc/76/60/69/553766069.db2.gz XYJIJTJDCSFARP-SSEXGKCCSA-N 1 0 549.679 3.966 40 0 KHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022914733 553766579 /nfs/dbraw/zinc/76/65/79/553766579.db2.gz CMNNHTKQYWQTPY-KUYHAWHLSA-N 1 0 519.686 3.646 40 0 KHABRO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc2cc1C3 ZINC000026638176 561806155 /nfs/dbraw/zinc/80/61/55/561806155.db2.gz KUDUHLYXWIVQRQ-HKBQPEDESA-N 1 0 558.635 3.529 40 0 KHABRO CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc2cc1C3 ZINC000026638182 561806163 /nfs/dbraw/zinc/80/61/63/561806163.db2.gz KUDUHLYXWIVQRQ-WJOKGBTCSA-N 1 0 558.635 3.529 40 0 KHABRO Cc1ccc(OCC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1C ZINC000028295331 553841738 /nfs/dbraw/zinc/84/17/38/553841738.db2.gz NBFVLPNUVVYAQF-XMMPIXPASA-N 1 0 501.627 3.500 40 0 KHABRO Cc1ccc(OCC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1C ZINC000028295333 553841801 /nfs/dbraw/zinc/84/18/01/553841801.db2.gz NBFVLPNUVVYAQF-DEOSSOPVSA-N 1 0 501.627 3.500 40 0 KHABRO 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 ZINC000029748778 553850062 /nfs/dbraw/zinc/85/00/62/553850062.db2.gz NARPJTZOCATBAH-HHPKZISASA-N 1 0 589.696 3.594 40 0 KHABRO 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 ZINC000029748780 553850115 /nfs/dbraw/zinc/85/01/15/553850115.db2.gz NARPJTZOCATBAH-IPONXPDWSA-N 1 0 589.696 3.594 40 0 KHABRO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937019 553978135 /nfs/dbraw/zinc/97/81/35/553978135.db2.gz WHPVSYJLEHUPCT-GGAORHGYSA-N 1 0 508.623 3.751 40 0 KHABRO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937020 553978300 /nfs/dbraw/zinc/97/83/00/553978300.db2.gz WHPVSYJLEHUPCT-FYYLOGMGSA-N 1 0 508.623 3.751 40 0 KHABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000034895821 554023633 /nfs/dbraw/zinc/02/36/33/554023633.db2.gz OLELTQUVPIICDU-UHFFFAOYSA-N 1 0 514.820 3.823 40 0 KHABRO CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000035636023 1066882442 /nfs/dbraw/zinc/88/24/42/1066882442.db2.gz WURGZWOTGMLDJP-XEXVLEQXSA-N 1 0 528.697 3.709 40 0 KHABRO CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000035881646 1066882347 /nfs/dbraw/zinc/88/23/47/1066882347.db2.gz ZZRJRBLQIQRNTR-DEOSSOPVSA-N 1 0 525.650 3.720 40 0 KHABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000037530408 554250811 /nfs/dbraw/zinc/25/08/11/554250811.db2.gz CMNNHTKQYWQTPY-BJZBFFFZSA-N 1 0 519.686 3.646 40 0 KHABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000037530411 554250782 /nfs/dbraw/zinc/25/07/82/554250782.db2.gz CMNNHTKQYWQTPY-SHKNJONVSA-N 1 0 519.686 3.646 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000038831566 554277775 /nfs/dbraw/zinc/27/77/75/554277775.db2.gz QTLOOYNRFORZOY-UHFFFAOYSA-N 1 0 532.710 3.719 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000038831568 554277810 /nfs/dbraw/zinc/27/78/10/554277810.db2.gz QJQMASRHWBZGKZ-UHFFFAOYSA-N 1 0 532.710 3.719 40 0 KHABRO COC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000043067855 554297451 /nfs/dbraw/zinc/29/74/51/554297451.db2.gz VDOCQQKGPJENHJ-UHFFFAOYSA-N 1 0 528.617 3.740 40 0 in-vitro KHABRO CONC(=O)Nc1ccc(-c2sc3c(c2C[NH+](C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000043206033 554297999 /nfs/dbraw/zinc/29/79/99/554297999.db2.gz AOMXMOCNKJTRQP-UHFFFAOYSA-N 1 0 623.642 3.751 40 0 investigational KHABRO COc1ccc(OC)c(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000044857244 554305506 /nfs/dbraw/zinc/30/55/06/554305506.db2.gz GYQLBLCRUZFQNY-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000044857245 554305493 /nfs/dbraw/zinc/30/54/93/554305493.db2.gz GRZMWIWLDFVJGA-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2OC)cc1 ZINC000044857352 554305822 /nfs/dbraw/zinc/30/58/22/554305822.db2.gz GSZLURVVSYDEJW-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1OC ZINC000044871501 554306060 /nfs/dbraw/zinc/30/60/60/554306060.db2.gz UIFOXUKJFBQYID-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000044871564 554305986 /nfs/dbraw/zinc/30/59/86/554305986.db2.gz VUEKJLYWLCODSC-UHFFFAOYSA-N 1 0 507.656 3.944 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(F)cc2)cc1 ZINC000044871625 554305964 /nfs/dbraw/zinc/30/59/64/554305964.db2.gz IPYYKTBDBAFXOK-UHFFFAOYSA-N 1 0 511.619 3.942 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044871822 554306215 /nfs/dbraw/zinc/30/62/15/554306215.db2.gz KOXNTKYJHBRAMJ-UHFFFAOYSA-N 1 0 521.639 3.565 40 0 KHABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccccc32)cc1 ZINC000044871848 554306317 /nfs/dbraw/zinc/30/63/17/554306317.db2.gz RQCJUXAXQNURAR-HHHXNRCGSA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccccc32)cc1 ZINC000044871853 554306246 /nfs/dbraw/zinc/30/62/46/554306246.db2.gz RQCJUXAXQNURAR-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000044872410 554306270 /nfs/dbraw/zinc/30/62/70/554306270.db2.gz DINDPCYWPZNFAQ-HHHXNRCGSA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000044872415 554306237 /nfs/dbraw/zinc/30/62/37/554306237.db2.gz DINDPCYWPZNFAQ-MHZLTWQESA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000044872710 554306225 /nfs/dbraw/zinc/30/62/25/554306225.db2.gz VICAMKDQBRCGDS-UHFFFAOYSA-N 1 0 508.059 3.933 40 0 KHABRO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)O2 ZINC000044873005 554306234 /nfs/dbraw/zinc/30/62/34/554306234.db2.gz HTJHLCWQEQSSDB-HHHXNRCGSA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)O2 ZINC000044873010 554306290 /nfs/dbraw/zinc/30/62/90/554306290.db2.gz HTJHLCWQEQSSDB-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccccc32)cc1 ZINC000044873026 554306219 /nfs/dbraw/zinc/30/62/19/554306219.db2.gz WISZZGVRIWJXPM-HHHXNRCGSA-N 1 0 521.639 3.564 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccccc32)cc1 ZINC000044873031 554306309 /nfs/dbraw/zinc/30/63/09/554306309.db2.gz WISZZGVRIWJXPM-MHZLTWQESA-N 1 0 521.639 3.564 40 0 KHABRO Cc1cc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)ccc1Br ZINC000044874105 554307052 /nfs/dbraw/zinc/30/70/52/554307052.db2.gz HKGPIJZSHSWOHX-UHFFFAOYSA-N 1 0 508.482 3.826 40 0 KHABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1I ZINC000044874339 554306966 /nfs/dbraw/zinc/30/69/66/554306966.db2.gz YALYLCPOEOARJM-UHFFFAOYSA-N 1 0 500.402 3.764 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000044874363 554307018 /nfs/dbraw/zinc/30/70/18/554307018.db2.gz ZJBXYLKIYYNUKI-HHHXNRCGSA-N 1 0 505.640 3.945 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000044874368 554306926 /nfs/dbraw/zinc/30/69/26/554306926.db2.gz ZJBXYLKIYYNUKI-MHZLTWQESA-N 1 0 505.640 3.945 40 0 KHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044900340 554308559 /nfs/dbraw/zinc/30/85/59/554308559.db2.gz AWJLFKXZOPMGHF-JOCHJYFZSA-N 1 0 514.530 3.762 40 0 KHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044900341 554308568 /nfs/dbraw/zinc/30/85/68/554308568.db2.gz AWJLFKXZOPMGHF-QFIPXVFZSA-N 1 0 514.530 3.762 40 0 KHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044901617 554309090 /nfs/dbraw/zinc/30/90/90/554309090.db2.gz WODDVLUPYJVPTE-JOCHJYFZSA-N 1 0 514.530 3.762 40 0 KHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044901619 554309133 /nfs/dbraw/zinc/30/91/33/554309133.db2.gz WODDVLUPYJVPTE-QFIPXVFZSA-N 1 0 514.530 3.762 40 0 KHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000057312871 554353722 /nfs/dbraw/zinc/35/37/22/554353722.db2.gz QGSATBRTFYJRSF-UHFFFAOYSA-N 1 0 511.431 3.667 40 0 KHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000057313935 554354280 /nfs/dbraw/zinc/35/42/80/554354280.db2.gz TXVGZZYIQSCVFK-UHFFFAOYSA-N 1 0 513.763 3.735 40 0 KHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000057315886 554354621 /nfs/dbraw/zinc/35/46/21/554354621.db2.gz KLSMLVXRMQMLLT-UHFFFAOYSA-N 1 0 518.639 3.931 40 0 KHABRO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641045 554361399 /nfs/dbraw/zinc/36/13/99/554361399.db2.gz BFNYWBXDDLRQNE-ZCYQVOJMSA-N 1 0 506.582 3.843 40 0 KHABRO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641049 554361389 /nfs/dbraw/zinc/36/13/89/554361389.db2.gz BFNYWBXDDLRQNE-UKILVPOCSA-N 1 0 506.582 3.843 40 0 KHABRO CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641057 554361521 /nfs/dbraw/zinc/36/15/21/554361521.db2.gz JAFDDMIHNQKLLL-AHWVRZQESA-N 1 0 502.619 3.898 40 0 KHABRO CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641061 554361408 /nfs/dbraw/zinc/36/14/08/554361408.db2.gz JAFDDMIHNQKLLL-AZGAKELHSA-N 1 0 502.619 3.898 40 0 KHABRO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000059781969 554430405 /nfs/dbraw/zinc/43/04/05/554430405.db2.gz QDEAHWIFZJRBBX-HKBQPEDESA-N 1 0 575.713 3.903 40 0 KHABRO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000059781973 554430353 /nfs/dbraw/zinc/43/03/53/554430353.db2.gz QDEAHWIFZJRBBX-WJOKGBTCSA-N 1 0 575.713 3.903 40 0 KHABRO O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC000060325171 554505501 /nfs/dbraw/zinc/50/55/01/554505501.db2.gz BSMCAPRUBJMWDF-QGZVFWFLSA-N 1 0 531.316 3.781 40 0 in-vitro KHABRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)-c1cc3c(c(=O)n1[C@H]2O)COC(=O)[C@]3(O)CC ZINC000067665089 554533287 /nfs/dbraw/zinc/53/32/87/554533287.db2.gz XQUUJPQAMJFQHV-DITALETJSA-N 1 0 602.688 3.582 40 0 in-vitro KHABRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)-c1cc3c(c(=O)n1[C@@H]2O)COC(=O)[C@]3(O)CC ZINC000067665090 554533298 /nfs/dbraw/zinc/53/32/98/554533298.db2.gz XQUUJPQAMJFQHV-NDKRRWIDSA-N 1 0 602.688 3.582 40 0 in-vitro KHABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000067870836 1066858993 /nfs/dbraw/zinc/85/89/93/1066858993.db2.gz PFRDGBFMHBILAL-QMDPOKHVSA-N 1 0 507.704 3.521 40 0 biogenic,in-vitro KHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000067878755 291821456 /nfs/dbraw/zinc/82/14/56/291821456.db2.gz DWHLWRICSATEEO-VXKWHMMOSA-N 1 0 529.641 3.919 40 0 biogenic,in-vitro KHABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1)c1ccccc1 ZINC000067878773 291810053 /nfs/dbraw/zinc/81/00/53/291810053.db2.gz OHTXXRSKDWVRLM-GOTSBHOMSA-N 1 0 542.684 3.976 40 0 biogenic,in-vitro KHABRO COc1ccccc1N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC1 ZINC000067878784 554534108 /nfs/dbraw/zinc/53/41/08/554534108.db2.gz XGJQOZWLIBWBEZ-SVBPBHIXSA-N 1 0 572.754 3.513 40 0 biogenic,in-vitro KHABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCN3CCOCC3)C[C@@H](c3ccc(F)c(F)c3)N21 ZINC000067879301 291812312 /nfs/dbraw/zinc/81/23/12/291812312.db2.gz UYMSSGKFNMKLFM-OQVMAISDSA-N 1 0 524.612 3.712 40 0 biogenic,in-vitro KHABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCN3CCOCC3)C[C@@H](c3ccccc3F)N21 ZINC000067879345 291812304 /nfs/dbraw/zinc/81/23/04/291812304.db2.gz OLMROJJAEIQMHC-OQVMAISDSA-N 1 0 506.622 3.573 40 0 biogenic,in-vitro KHABRO O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000067879426 554534368 /nfs/dbraw/zinc/53/43/68/554534368.db2.gz UQSRLRMMNUNLNO-ZSXJVMONSA-N 1 0 505.537 3.635 40 0 biogenic,in-vitro KHABRO 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 ZINC000070692060 553609265 /nfs/dbraw/zinc/60/92/65/553609265.db2.gz BMDQWPICGOIWPR-HXMOVWCISA-N 1 0 637.814 3.954 40 0 KHABRO 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 ZINC000070692062 553609344 /nfs/dbraw/zinc/60/93/44/553609344.db2.gz BMDQWPICGOIWPR-BHPJSNKUSA-N 1 0 637.814 3.954 40 0 KHABRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000071788386 553638591 /nfs/dbraw/zinc/63/85/91/553638591.db2.gz KVLPXRKIIFWZLM-DPZBCOQUSA-N 1 0 615.772 3.734 40 0 KHABRO COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc2ccccc21 ZINC000071788432 553638839 /nfs/dbraw/zinc/63/88/39/553638839.db2.gz QYBJEDHFUWYTQH-UIOOFZCWSA-N 1 0 576.698 3.876 40 0 KHABRO O=S(=O)(c1cncc(Br)c1N1CC[NH2+]CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210948 553646007 /nfs/dbraw/zinc/64/60/07/553646007.db2.gz VDFXDRLNOQKKSM-UHFFFAOYSA-N 1 0 501.450 3.645 40 0 KHABRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc12 ZINC000085603838 553685098 /nfs/dbraw/zinc/68/50/98/553685098.db2.gz BSZFZMKZCRGANH-AWCRTANDSA-N 1 0 691.830 3.660 40 0 KHABRO Cc1ccc(S(=O)(=O)C2(S(=O)(=O)c3ccc(C)cc3)NCCCNCC[NH2+]CCCNC2(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095101083 553700381 /nfs/dbraw/zinc/70/03/81/553700381.db2.gz MMFCHQMWTKGIJY-UHFFFAOYSA-N 1 0 817.090 3.575 40 0 KHABRO CC(=O)N1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc2O3)CC1 ZINC000096111962 553724388 /nfs/dbraw/zinc/72/43/88/553724388.db2.gz PDJRESRVOJVCTM-GMAHTHKFSA-N 1 0 503.521 3.965 40 0 biogenic,in-vitro KHABRO 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 ZINC000096300082 553748710 /nfs/dbraw/zinc/74/87/10/553748710.db2.gz NSODTIBRLQHEEU-RHQYCBDASA-N 1 0 521.702 3.892 40 0 KHABRO 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 ZINC000096300083 553748795 /nfs/dbraw/zinc/74/87/95/553748795.db2.gz NSODTIBRLQHEEU-KEHCTXMOSA-N 1 0 521.702 3.892 40 0 KHABRO 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 ZINC000096300084 553748766 /nfs/dbraw/zinc/74/87/66/553748766.db2.gz NSODTIBRLQHEEU-DWIHMJRXSA-N 1 0 521.702 3.892 40 0 KHABRO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316359 553749519 /nfs/dbraw/zinc/74/95/19/553749519.db2.gz RQZDWSUDRWEDPG-SMXVUGKBSA-N 1 0 671.835 3.737 40 0 biogenic,in-vitro KHABRO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316360 553749488 /nfs/dbraw/zinc/74/94/88/553749488.db2.gz RQZDWSUDRWEDPG-PNCJZBEVSA-N 1 0 671.835 3.737 40 0 biogenic,in-vitro KHABRO CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316361 553749370 /nfs/dbraw/zinc/74/93/70/553749370.db2.gz RQZDWSUDRWEDPG-FRMUODNWSA-N 1 0 671.835 3.737 40 0 biogenic,in-vitro KHABRO CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316362 553749408 /nfs/dbraw/zinc/74/94/08/553749408.db2.gz RQZDWSUDRWEDPG-NZHGTKCDSA-N 1 0 671.835 3.737 40 0 biogenic,in-vitro KHABRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccccc2Br)CC1)c1ccccc1Br ZINC000097959304 553862701 /nfs/dbraw/zinc/86/27/01/553862701.db2.gz BIULPFIPDQKCFK-UHFFFAOYSA-N 1 0 566.338 3.769 40 0 KHABRO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccccc3)CC2)c1 ZINC000097986873 554026351 /nfs/dbraw/zinc/02/63/51/554026351.db2.gz UJZFMVLHWGRGNT-UHFFFAOYSA-N 1 0 577.733 3.970 40 0 KHABRO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005923 554059682 /nfs/dbraw/zinc/05/96/82/554059682.db2.gz ABRHIFHIZPRUHT-XMMPIXPASA-N 1 0 572.131 3.657 40 0 KHABRO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005924 554059641 /nfs/dbraw/zinc/05/96/41/554059641.db2.gz ABRHIFHIZPRUHT-DEOSSOPVSA-N 1 0 572.131 3.657 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000098006113 554060442 /nfs/dbraw/zinc/06/04/42/554060442.db2.gz FDHNRASITDMHQQ-JBRONXBDSA-N 1 0 559.622 3.965 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000098006114 554060501 /nfs/dbraw/zinc/06/05/01/554060501.db2.gz FDHNRASITDMHQQ-WPISCYLLSA-N 1 0 559.622 3.965 40 0 KHABRO 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 ZINC000098006372 554061824 /nfs/dbraw/zinc/06/18/24/554061824.db2.gz MQORFJWRNILJKM-PLSDRPBFSA-N 1 0 548.643 3.642 40 0 KHABRO 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 ZINC000098007027 554062477 /nfs/dbraw/zinc/06/24/77/554062477.db2.gz OXQWRDPRSYEMRK-YXKGNLPJSA-N 1 0 562.670 3.637 40 0 KHABRO O=C(CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000098007029 554062389 /nfs/dbraw/zinc/06/23/89/554062389.db2.gz YGUJCLINQPHMLA-PLUYPHSKSA-N 1 0 596.687 3.834 40 0 KHABRO O=C(CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000098007030 554062619 /nfs/dbraw/zinc/06/26/19/554062619.db2.gz YGUJCLINQPHMLA-TXLCDKIMSA-N 1 0 596.687 3.834 40 0 KHABRO 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 ZINC000098007363 554063481 /nfs/dbraw/zinc/06/34/81/554063481.db2.gz PGZILDWXWNYEMZ-USQVLRNNSA-N 1 0 605.695 3.600 40 0 KHABRO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3CC(C)C)c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000098007364 554063885 /nfs/dbraw/zinc/06/38/85/554063885.db2.gz PGZILDWXWNYEMZ-DILHWWIPSA-N 1 0 605.695 3.600 40 0 KHABRO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000100072492 554202223 /nfs/dbraw/zinc/20/22/23/554202223.db2.gz SLTVVKQELINHST-UHFFFAOYSA-N 1 0 555.482 3.869 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2cc(Cl)ccc2OC)cc1OC ZINC000100074878 554203845 /nfs/dbraw/zinc/20/38/45/554203845.db2.gz NIPMHEYINDWZHJ-UHFFFAOYSA-N 1 0 554.109 3.943 40 0 KHABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CC[NH+](C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100086659 554209276 /nfs/dbraw/zinc/20/92/76/554209276.db2.gz XWKOWAPIGQSJBP-UHFFFAOYSA-N 1 0 547.043 3.616 40 0 KHABRO 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 ZINC000100122637 554224734 /nfs/dbraw/zinc/22/47/34/554224734.db2.gz NARPJTZOCATBAH-RRFGGHKXSA-N 1 0 589.696 3.594 40 0 KHABRO 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 ZINC000100122642 554224705 /nfs/dbraw/zinc/22/47/05/554224705.db2.gz NARPJTZOCATBAH-NUJSEAGHSA-N 1 0 589.696 3.594 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158866 554233810 /nfs/dbraw/zinc/23/38/10/554233810.db2.gz JMXMFWMSRKNQRT-ALYHYRSRSA-N 1 0 525.605 3.769 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158867 554233761 /nfs/dbraw/zinc/23/37/61/554233761.db2.gz JMXMFWMSRKNQRT-KZLBOEASSA-N 1 0 525.605 3.769 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158885 554233730 /nfs/dbraw/zinc/23/37/30/554233730.db2.gz FDHNRASITDMHQQ-KJDXMVLPSA-N 1 0 559.622 3.965 40 0 KHABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158888 554233712 /nfs/dbraw/zinc/23/37/12/554233712.db2.gz FDHNRASITDMHQQ-POBAWSAGSA-N 1 0 559.622 3.965 40 0 KHABRO 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 ZINC000100164691 554236260 /nfs/dbraw/zinc/23/62/60/554236260.db2.gz MQORFJWRNILJKM-KDUWASOLSA-N 1 0 548.643 3.642 40 0 KHABRO 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 ZINC000100166581 554236830 /nfs/dbraw/zinc/23/68/30/554236830.db2.gz OXQWRDPRSYEMRK-PWDPMQEGSA-N 1 0 562.670 3.637 40 0 KHABRO O=C(CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000100166593 554236801 /nfs/dbraw/zinc/23/68/01/554236801.db2.gz YGUJCLINQPHMLA-FVPDQMFNSA-N 1 0 596.687 3.834 40 0 KHABRO 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 ZINC000100182305 554242002 /nfs/dbraw/zinc/24/20/02/554242002.db2.gz PGZILDWXWNYEMZ-RSONSDKCSA-N 1 0 605.695 3.600 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277426 554275280 /nfs/dbraw/zinc/27/52/80/554275280.db2.gz CMWUGCJKYCRMEZ-IZEXYCQBSA-N 1 0 615.710 3.910 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277429 554275259 /nfs/dbraw/zinc/27/52/59/554275259.db2.gz CMWUGCJKYCRMEZ-QCENPCRXSA-N 1 0 615.710 3.910 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277432 554275240 /nfs/dbraw/zinc/27/52/40/554275240.db2.gz CMWUGCJKYCRMEZ-MVSFAKPFSA-N 1 0 615.710 3.910 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277434 554275247 /nfs/dbraw/zinc/27/52/47/554275247.db2.gz CMWUGCJKYCRMEZ-GRKNLSHJSA-N 1 0 615.710 3.910 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277855 554276411 /nfs/dbraw/zinc/27/64/11/554276411.db2.gz FYPNTCQGIUUMQK-SVEHJYQDSA-N 1 0 603.749 3.833 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277857 554276463 /nfs/dbraw/zinc/27/64/63/554276463.db2.gz FYPNTCQGIUUMQK-ABYGYWHVSA-N 1 0 603.749 3.833 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277860 554276368 /nfs/dbraw/zinc/27/63/68/554276368.db2.gz FYPNTCQGIUUMQK-IRPSRAIASA-N 1 0 603.749 3.833 40 0 KHABRO Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000100277862 554276471 /nfs/dbraw/zinc/27/64/71/554276471.db2.gz FYPNTCQGIUUMQK-VAVYLYDRSA-N 1 0 603.749 3.833 40 0 KHABRO COC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](C(=O)NCC(=O)Nc4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000100279364 554276459 /nfs/dbraw/zinc/27/64/59/554276459.db2.gz LYVWXUBITSZUQP-LJQANCHMSA-N 1 0 532.563 3.538 40 0 KHABRO O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290775 554283887 /nfs/dbraw/zinc/28/38/87/554283887.db2.gz DNSQOIJDBMSELL-WNJJXGMVSA-N 1 0 570.706 3.606 40 0 KHABRO O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290779 554283973 /nfs/dbraw/zinc/28/39/73/554283973.db2.gz DNSQOIJDBMSELL-LITSAYRRSA-N 1 0 570.706 3.606 40 0 KHABRO O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290785 554284005 /nfs/dbraw/zinc/28/40/05/554284005.db2.gz DNSQOIJDBMSELL-UHSQPCAPSA-N 1 0 570.706 3.606 40 0 KHABRO O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000100290788 554283952 /nfs/dbraw/zinc/28/39/52/554283952.db2.gz DNSQOIJDBMSELL-GGXMVOPNSA-N 1 0 570.706 3.606 40 0 KHABRO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000100299666 554290270 /nfs/dbraw/zinc/29/02/70/554290270.db2.gz JBFHMCPQEKYEES-MUUNZHRXSA-N 1 0 543.672 3.620 40 0 KHABRO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000100299670 554290351 /nfs/dbraw/zinc/29/03/51/554290351.db2.gz JBFHMCPQEKYEES-NDEPHWFRSA-N 1 0 543.672 3.620 40 0 KHABRO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369797 554355916 /nfs/dbraw/zinc/35/59/16/554355916.db2.gz AXVGOLATPWLUBN-LADGPHEKSA-N 1 0 532.601 3.584 40 0 KHABRO CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369800 554355897 /nfs/dbraw/zinc/35/58/97/554355897.db2.gz AXVGOLATPWLUBN-VWNXMTODSA-N 1 0 532.601 3.584 40 0 KHABRO CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369804 554355774 /nfs/dbraw/zinc/35/57/74/554355774.db2.gz AXVGOLATPWLUBN-ISKFKSNPSA-N 1 0 532.601 3.584 40 0 KHABRO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370211 554355793 /nfs/dbraw/zinc/35/57/93/554355793.db2.gz GBDZOIBRFHWCML-UPVQGACJSA-N 1 0 532.601 3.584 40 0 KHABRO CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370214 554355906 /nfs/dbraw/zinc/35/59/06/554355906.db2.gz GBDZOIBRFHWCML-LADGPHEKSA-N 1 0 532.601 3.584 40 0 KHABRO CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370217 554355834 /nfs/dbraw/zinc/35/58/34/554355834.db2.gz GBDZOIBRFHWCML-ISKFKSNPSA-N 1 0 532.601 3.584 40 0 KHABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100375336 554359650 /nfs/dbraw/zinc/35/96/50/554359650.db2.gz ZWFQNDCIFMYESL-ZCYQVOJMSA-N 1 0 546.628 3.975 40 0 KHABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100375343 554359491 /nfs/dbraw/zinc/35/94/91/554359491.db2.gz ZWFQNDCIFMYESL-UKILVPOCSA-N 1 0 546.628 3.975 40 0 KHABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375348 554359639 /nfs/dbraw/zinc/35/96/39/554359639.db2.gz ZWFQNDCIFMYESL-NOZRDPDXSA-N 1 0 546.628 3.975 40 0 KHABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375354 554359596 /nfs/dbraw/zinc/35/95/96/554359596.db2.gz ZWFQNDCIFMYESL-ILBGXUMGSA-N 1 0 546.628 3.975 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@H](CC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377258 554360387 /nfs/dbraw/zinc/36/03/87/554360387.db2.gz HSIXMXJLPMAJFU-QHCPKHFHSA-N 1 0 548.644 3.599 40 0 KHABRO CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377263 554360322 /nfs/dbraw/zinc/36/03/22/554360322.db2.gz HSIXMXJLPMAJFU-HSZRJFAPSA-N 1 0 548.644 3.599 40 0 KHABRO CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385574 554364523 /nfs/dbraw/zinc/36/45/23/554364523.db2.gz AKRADUSABNPDAS-DEOSSOPVSA-N 1 0 546.628 3.967 40 0 KHABRO CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385576 554364550 /nfs/dbraw/zinc/36/45/50/554364550.db2.gz AKRADUSABNPDAS-XMMPIXPASA-N 1 0 546.628 3.967 40 0 KHABRO Cc1c2c(cc(=O)n1CCN1CCOCC1)n(Cc1ccc(Cl)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000100432278 554392419 /nfs/dbraw/zinc/39/24/19/554392419.db2.gz NXXNHVSPYXNZHB-UHFFFAOYSA-N 1 0 536.057 3.906 40 0 KHABRO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101051725 554568593 /nfs/dbraw/zinc/56/85/93/554568593.db2.gz NWZQFMHHIZNBMR-UHFFFAOYSA-N 1 0 538.627 3.945 40 0 KHABRO 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 ZINC000101091487 554582893 /nfs/dbraw/zinc/58/28/93/554582893.db2.gz YAPHKTAXQNRXCF-ZCOUOSKHSA-N 1 0 585.414 3.827 40 0 KHABRO 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 ZINC000101091489 554582878 /nfs/dbraw/zinc/58/28/78/554582878.db2.gz YAPHKTAXQNRXCF-VONISOPNSA-N 1 0 585.414 3.827 40 0 KHABRO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101502979 554789037 /nfs/dbraw/zinc/78/90/37/554789037.db2.gz FDRPPJHHXIOWSH-VWDBNSKXSA-N 1 0 554.006 3.947 40 0 KHABRO 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 ZINC000101502984 554789028 /nfs/dbraw/zinc/78/90/28/554789028.db2.gz FDRPPJHHXIOWSH-NHICWYPXSA-N 1 0 554.006 3.947 40 0 KHABRO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)cc1 ZINC000101503042 554789145 /nfs/dbraw/zinc/78/91/45/554789145.db2.gz VKCGAKGSUZPTSS-DNHJLFCISA-N 1 0 554.006 3.947 40 0 KHABRO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)cc1 ZINC000101503045 554789288 /nfs/dbraw/zinc/78/92/88/554789288.db2.gz VKCGAKGSUZPTSS-UBRKHCEVSA-N 1 0 554.006 3.947 40 0 KHABRO CC(C)Cn1c2nnc(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O ZINC000101533122 554795197 /nfs/dbraw/zinc/79/51/97/554795197.db2.gz HYKVMTGCWYCMDC-UHFFFAOYSA-N 1 0 550.107 3.615 40 0 KHABRO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CC(C)C)CC2)c1 ZINC000101533229 554795218 /nfs/dbraw/zinc/79/52/18/554795218.db2.gz PGNXUOZWELZASO-UHFFFAOYSA-N 1 0 543.716 3.578 40 0 KHABRO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101592535 554803095 /nfs/dbraw/zinc/80/30/95/554803095.db2.gz ZNUNINODJIXIFE-VWDBNSKXSA-N 1 0 554.990 3.914 40 0 KHABRO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101592543 554803118 /nfs/dbraw/zinc/80/31/18/554803118.db2.gz ZNUNINODJIXIFE-NHICWYPXSA-N 1 0 554.990 3.914 40 0 KHABRO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)cc1 ZINC000101592609 554803101 /nfs/dbraw/zinc/80/31/01/554803101.db2.gz COQOVWCOLFFINH-DNHJLFCISA-N 1 0 554.990 3.914 40 0 KHABRO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)cc1 ZINC000101592617 554803059 /nfs/dbraw/zinc/80/30/59/554803059.db2.gz COQOVWCOLFFINH-UBRKHCEVSA-N 1 0 554.990 3.914 40 0 KHABRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C ZINC000101788132 554838763 /nfs/dbraw/zinc/83/87/63/554838763.db2.gz RPOHKNUVOFWYQF-UHFFFAOYSA-N 1 0 553.683 3.944 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000102099170 554880920 /nfs/dbraw/zinc/88/09/20/554880920.db2.gz MTVQFUFUOIHVFF-WUFINQPMSA-N 1 0 556.663 3.904 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000102099175 554880889 /nfs/dbraw/zinc/88/08/89/554880889.db2.gz MTVQFUFUOIHVFF-NSOVKSMOSA-N 1 0 556.663 3.904 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000102099181 554880901 /nfs/dbraw/zinc/88/09/01/554880901.db2.gz MTVQFUFUOIHVFF-VSGBNLITSA-N 1 0 556.663 3.904 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000102099189 554880864 /nfs/dbraw/zinc/88/08/64/554880864.db2.gz MTVQFUFUOIHVFF-IZLXSDGUSA-N 1 0 556.663 3.904 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099237 554880937 /nfs/dbraw/zinc/88/09/37/554880937.db2.gz RVYDZFQHYLDZJH-IZLXSDGUSA-N 1 0 586.689 3.826 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099241 554880914 /nfs/dbraw/zinc/88/09/14/554880914.db2.gz RVYDZFQHYLDZJH-NSOVKSMOSA-N 1 0 586.689 3.826 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099247 554880943 /nfs/dbraw/zinc/88/09/43/554880943.db2.gz RVYDZFQHYLDZJH-VSGBNLITSA-N 1 0 586.689 3.826 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102099250 554880926 /nfs/dbraw/zinc/88/09/26/554880926.db2.gz RVYDZFQHYLDZJH-WUFINQPMSA-N 1 0 586.689 3.826 40 0 KHABRO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000102100727 554881518 /nfs/dbraw/zinc/88/15/18/554881518.db2.gz FYYRWYKRIUZUJR-MHZLTWQESA-N 1 0 604.549 3.512 40 0 KHABRO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000102100733 554881509 /nfs/dbraw/zinc/88/15/09/554881509.db2.gz FYYRWYKRIUZUJR-HHHXNRCGSA-N 1 0 604.549 3.512 40 0 KHABRO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000102245687 554903476 /nfs/dbraw/zinc/90/34/76/554903476.db2.gz XRUKEHGUQKUWGF-SSEXGKCCSA-N 1 0 567.734 3.873 40 0 KHABRO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000102245693 554903435 /nfs/dbraw/zinc/90/34/35/554903435.db2.gz XRUKEHGUQKUWGF-PMERELPUSA-N 1 0 567.734 3.873 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000102252298 554903898 /nfs/dbraw/zinc/90/38/98/554903898.db2.gz DOBVGWJIYCTGLK-IZLXSDGUSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000102252301 554904015 /nfs/dbraw/zinc/90/40/15/554904015.db2.gz DOBVGWJIYCTGLK-NSOVKSMOSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000102252305 554904051 /nfs/dbraw/zinc/90/40/51/554904051.db2.gz DOBVGWJIYCTGLK-VSGBNLITSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)C1=C(O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000102252311 554904023 /nfs/dbraw/zinc/90/40/23/554904023.db2.gz DOBVGWJIYCTGLK-WUFINQPMSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000102252419 554904066 /nfs/dbraw/zinc/90/40/66/554904066.db2.gz WVRLTNDMWARIRP-IZLXSDGUSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000102252424 554904080 /nfs/dbraw/zinc/90/40/80/554904080.db2.gz WVRLTNDMWARIRP-NSOVKSMOSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000102252428 554904061 /nfs/dbraw/zinc/90/40/61/554904061.db2.gz WVRLTNDMWARIRP-VSGBNLITSA-N 1 0 556.663 3.817 40 0 KHABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000102252434 554903889 /nfs/dbraw/zinc/90/38/89/554903889.db2.gz WVRLTNDMWARIRP-WUFINQPMSA-N 1 0 556.663 3.817 40 0 KHABRO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253555 554904085 /nfs/dbraw/zinc/90/40/85/554904085.db2.gz VJJLMAKAXQNDCR-MHZLTWQESA-N 1 0 593.650 3.768 40 0 KHABRO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253559 554904033 /nfs/dbraw/zinc/90/40/33/554904033.db2.gz VJJLMAKAXQNDCR-HHHXNRCGSA-N 1 0 593.650 3.768 40 0 KHABRO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000102253920 554904194 /nfs/dbraw/zinc/90/41/94/554904194.db2.gz BWMYIDHEVZYCHV-MUUNZHRXSA-N 1 0 574.125 3.711 40 0 KHABRO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000102253926 554904252 /nfs/dbraw/zinc/90/42/52/554904252.db2.gz BWMYIDHEVZYCHV-NDEPHWFRSA-N 1 0 574.125 3.711 40 0 KHABRO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000102407562 554922218 /nfs/dbraw/zinc/92/22/18/554922218.db2.gz SOSFQHYSAMITQT-HHHXNRCGSA-N 1 0 595.766 3.792 40 0 KHABRO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000102407564 554922263 /nfs/dbraw/zinc/92/22/63/554922263.db2.gz SOSFQHYSAMITQT-MHZLTWQESA-N 1 0 595.766 3.792 40 0 KHABRO 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 ZINC000103515542 555423178 /nfs/dbraw/zinc/42/31/78/555423178.db2.gz RHSPXIGVAZSTAE-XDZDDBEASA-N 1 0 547.615 3.856 40 0 KHABRO 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 ZINC000103515544 555423084 /nfs/dbraw/zinc/42/30/84/555423084.db2.gz RHSPXIGVAZSTAE-MYECLKKLSA-N 1 0 547.615 3.856 40 0 KHABRO 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 ZINC000103516050 555423219 /nfs/dbraw/zinc/42/32/19/555423219.db2.gz GFMHPHQBITXXLU-BCZYHNNCSA-N 1 0 548.599 3.669 40 0 KHABRO 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 ZINC000103516052 555423207 /nfs/dbraw/zinc/42/32/07/555423207.db2.gz GFMHPHQBITXXLU-ZWBDOSIPSA-N 1 0 548.599 3.669 40 0 KHABRO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000103516268 555423184 /nfs/dbraw/zinc/42/31/84/555423184.db2.gz UUTVXPBLASTPMZ-OMPGTVRRSA-N 1 0 548.599 3.669 40 0 KHABRO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000103516271 555423222 /nfs/dbraw/zinc/42/32/22/555423222.db2.gz UUTVXPBLASTPMZ-DZRQJBKDSA-N 1 0 548.599 3.669 40 0 KHABRO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)c1 ZINC000103516338 555423199 /nfs/dbraw/zinc/42/31/99/555423199.db2.gz INFMZOKDRQGTML-HGPRPZRGSA-N 1 0 526.980 3.998 40 0 KHABRO COc1cccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)c1 ZINC000103516340 555423195 /nfs/dbraw/zinc/42/31/95/555423195.db2.gz INFMZOKDRQGTML-CAFXQFFASA-N 1 0 526.980 3.998 40 0 KHABRO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103517034 555423505 /nfs/dbraw/zinc/42/35/05/555423505.db2.gz UQRYPVGZWLLCCE-NAFTXRTCSA-N 1 0 554.990 3.760 40 0 KHABRO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103517036 555423464 /nfs/dbraw/zinc/42/34/64/555423464.db2.gz UQRYPVGZWLLCCE-GYUWXQCTSA-N 1 0 554.990 3.760 40 0 KHABRO 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 ZINC000103517247 555423477 /nfs/dbraw/zinc/42/34/77/555423477.db2.gz XAGUWEUGOILZHF-XVUPITKPSA-N 1 0 547.615 3.856 40 0 KHABRO 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 ZINC000103517250 555423442 /nfs/dbraw/zinc/42/34/42/555423442.db2.gz XAGUWEUGOILZHF-REKFDVGBSA-N 1 0 547.615 3.856 40 0 KHABRO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(Cl)cc21 ZINC000103521846 555426994 /nfs/dbraw/zinc/42/69/94/555426994.db2.gz MMNUQQYQOPVVFV-YBLWUUOLSA-N 1 0 554.990 3.776 40 0 KHABRO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000103521849 555426910 /nfs/dbraw/zinc/42/69/10/555426910.db2.gz MMNUQQYQOPVVFV-AIUIFLDSSA-N 1 0 554.990 3.776 40 0 KHABRO 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 ZINC000103525730 555428370 /nfs/dbraw/zinc/42/83/70/555428370.db2.gz FJMKGXIUJXDRSC-XPVYSAHSSA-N 1 0 554.990 3.760 40 0 KHABRO 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 ZINC000103525735 555428407 /nfs/dbraw/zinc/42/84/07/555428407.db2.gz FJMKGXIUJXDRSC-NHNGLUSSSA-N 1 0 554.990 3.760 40 0 KHABRO COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(F)cc32)cc1OC ZINC000103529834 555430308 /nfs/dbraw/zinc/43/03/08/555430308.db2.gz BIJSPWHNVUCAIE-YCSSQWMKSA-N 1 0 568.605 3.530 40 0 KHABRO COc1ccc(CCN2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC ZINC000103529840 555430292 /nfs/dbraw/zinc/43/02/92/555430292.db2.gz BIJSPWHNVUCAIE-WYUKLCAOSA-N 1 0 568.605 3.530 40 0 KHABRO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(F)cc32)cc1 ZINC000103531793 555432318 /nfs/dbraw/zinc/43/23/18/555432318.db2.gz IHDOVVNBQYMCSF-WJQRCLFPSA-N 1 0 552.562 3.651 40 0 KHABRO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000103531797 555432259 /nfs/dbraw/zinc/43/22/59/555432259.db2.gz IHDOVVNBQYMCSF-SQRAXXTESA-N 1 0 552.562 3.651 40 0 KHABRO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2c1cccc2Cl ZINC000103538437 555437173 /nfs/dbraw/zinc/43/71/73/555437173.db2.gz YCGSGWVEFHDMJF-UKHVJEJZSA-N 1 0 554.990 3.776 40 0 KHABRO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4c3cccc4Cl)[C@@H]2C1=O ZINC000103538446 555437030 /nfs/dbraw/zinc/43/70/30/555437030.db2.gz YCGSGWVEFHDMJF-XDRYYISASA-N 1 0 554.990 3.776 40 0 KHABRO C[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000103654076 1066885849 /nfs/dbraw/zinc/88/58/49/1066885849.db2.gz AYBCFPXLXOLPIZ-IDISGSTGSA-N 1 0 567.694 3.637 40 0 KHABRO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2([NH2+][C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)c1 ZINC000104151156 571375550 /nfs/dbraw/zinc/37/55/50/571375550.db2.gz POZRZOQTBBSMDJ-VVEDBRRQSA-N 1 0 526.980 3.998 40 0 KHABRO COc1cccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)c1 ZINC000104151163 571375572 /nfs/dbraw/zinc/37/55/72/571375572.db2.gz POZRZOQTBBSMDJ-XHHBKWMTSA-N 1 0 526.980 3.998 40 0 KHABRO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000104157117 571375623 /nfs/dbraw/zinc/37/56/23/571375623.db2.gz RGTCLZAHQBUAES-FHADKLEKSA-N 1 0 540.963 3.718 40 0 KHABRO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000104157124 571375655 /nfs/dbraw/zinc/37/56/55/571375655.db2.gz RGTCLZAHQBUAES-STNJGYHGSA-N 1 0 540.963 3.718 40 0 KHABRO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251492 571392340 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1 0 543.657 3.806 40 0 KHABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000105355124 571404119 /nfs/dbraw/zinc/40/41/19/571404119.db2.gz RCQDTIWOGXJYRL-UHFFFAOYSA-N 1 0 525.856 3.768 40 0 KHABRO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC([NH+](C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000105498526 571405892 /nfs/dbraw/zinc/40/58/92/571405892.db2.gz LWFNJWAUDJCYES-GJISQHIDSA-N 1 0 555.100 3.575 40 0 KHABRO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC([NH+](C)C)CC4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000105498528 571405859 /nfs/dbraw/zinc/40/58/59/571405859.db2.gz LWFNJWAUDJCYES-YVVITCHPSA-N 1 0 555.100 3.575 40 0 KHABRO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC([NH+](C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499454 571406134 /nfs/dbraw/zinc/40/61/34/571406134.db2.gz OFIBHFLRAXXOCB-LMTOTAIGSA-N 1 0 566.749 3.644 40 0 KHABRO CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC([NH+](C)C)CC4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499458 571406240 /nfs/dbraw/zinc/40/62/40/571406240.db2.gz OFIBHFLRAXXOCB-FGSNJIQSSA-N 1 0 566.749 3.644 40 0 KHABRO CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2C[N@H+](CC2CCCCC2)CC3=O)CC1 ZINC000107429096 571420109 /nfs/dbraw/zinc/42/01/09/571420109.db2.gz YDDVWWUEPHOZIU-NSOVKSMOSA-N 1 0 552.760 3.787 40 0 KHABRO CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000107632280 571420584 /nfs/dbraw/zinc/42/05/84/571420584.db2.gz RYZNEPFIFOUTMR-UHFFFAOYSA-N 1 0 565.736 3.994 40 0 KHABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000113631201 571441798 /nfs/dbraw/zinc/44/17/98/571441798.db2.gz RDGQQHGAHRIKBU-UHFFFAOYSA-N 1 0 555.482 3.725 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000113632392 571441884 /nfs/dbraw/zinc/44/18/84/571441884.db2.gz ZTUMUMNVXVYHAB-UHFFFAOYSA-N 1 0 554.109 3.799 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cc(Cl)ccc2OC)cc1OC ZINC000113634739 571442090 /nfs/dbraw/zinc/44/20/90/571442090.db2.gz MXXVAUWHNHAMLK-UHFFFAOYSA-N 1 0 540.082 3.553 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(F)cc2)cc1OC ZINC000139856853 571454124 /nfs/dbraw/zinc/45/41/24/571454124.db2.gz PBSUSEKEJLEQDQ-UHFFFAOYSA-N 1 0 541.645 3.950 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000139857044 571454120 /nfs/dbraw/zinc/45/41/20/571454120.db2.gz SRVSRURXYRGXMC-UHFFFAOYSA-N 1 0 583.707 3.829 40 0 KHABRO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000139857201 571454133 /nfs/dbraw/zinc/45/41/33/571454133.db2.gz XXIUQWHSXJJIOO-UHFFFAOYSA-N 1 0 539.629 3.704 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000139864590 571454081 /nfs/dbraw/zinc/45/40/81/571454081.db2.gz JPZDNLAZGRXOEH-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000139864742 571454113 /nfs/dbraw/zinc/45/41/13/571454113.db2.gz JMQGLMVRBVARDQ-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139881419 571454189 /nfs/dbraw/zinc/45/41/89/571454189.db2.gz AXNHCDQFYKDVGQ-UHFFFAOYSA-N 1 0 535.666 3.955 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)Oc3ccccc32)cc1 ZINC000139889677 571454346 /nfs/dbraw/zinc/45/43/46/571454346.db2.gz QZKWQUXFMYVOCI-MUUNZHRXSA-N 1 0 535.666 3.954 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)Oc3ccccc32)cc1 ZINC000139889825 571454279 /nfs/dbraw/zinc/45/42/79/571454279.db2.gz QZKWQUXFMYVOCI-NDEPHWFRSA-N 1 0 535.666 3.954 40 0 KHABRO Cc1nccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000139980923 571454330 /nfs/dbraw/zinc/45/43/30/571454330.db2.gz OEVSXRIBYZILBN-UHFFFAOYSA-N 1 0 531.476 3.801 40 0 KHABRO O=C(C[N@@H+]1CC[C@H](C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000144518673 562836300 /nfs/dbraw/zinc/83/63/00/562836300.db2.gz HDAJDNHIBCDLQF-VWLOTQADSA-N 1 0 587.688 3.691 40 0 KHABRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@@H]([NH+]2CCN(CCO)CC2)C3)ncc1Cl ZINC000146980606 571456724 /nfs/dbraw/zinc/45/67/24/571456724.db2.gz BCSHRERPHLTPEE-OAQYLSRUSA-N 1 0 580.133 3.843 40 0 KHABRO CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000150340515 571457822 /nfs/dbraw/zinc/45/78/22/571457822.db2.gz QVSKZGQYQLYCFO-VWYPKUQYSA-N 1 0 667.829 3.843 40 0 KHABRO 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 ZINC000150655312 571526696 /nfs/dbraw/zinc/52/66/96/571526696.db2.gz YHVHQZYJGWGAKN-BNJVKOMFSA-N 1 0 779.983 3.707 40 0 KHABRO 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 ZINC000150655319 571526670 /nfs/dbraw/zinc/52/66/70/571526670.db2.gz YHVHQZYJGWGAKN-SUJNADCMSA-N 1 0 779.983 3.707 40 0 KHABRO CC(C)[N@H+](C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O)[C@H]1C[C@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC000167872494 571552951 /nfs/dbraw/zinc/55/29/51/571552951.db2.gz VAVSYAHRMOHGMQ-URXXTGRUSA-N 1 0 561.731 3.928 40 0 KHABRO CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@H+]4CCCC[C@@H]4CC)C3)c21 ZINC000169698839 571558738 /nfs/dbraw/zinc/55/87/38/571558738.db2.gz YWFGWDLYNUINLD-UNMCSNQZSA-N 1 0 583.593 3.530 40 0 KHABRO COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H](C(N)=O)[C@H]4C=C[C@@H]3C4)n2)ccc2c1CC[C@@H]([NH+]1CCOCC1)CC2 ZINC000200544442 1066886863 /nfs/dbraw/zinc/88/68/63/1066886863.db2.gz LAJAFFLJAJMYLK-CSNWYRLESA-N 1 0 539.080 3.550 40 0 KHABRO CC1(C)CCC2(CC1)[NH2+][C@@H](C(=O)N[C@@H]1CC[C@@H](C(N)=O)OC1)[C@H](c1ccnc(Cl)c1F)[C@@]21c2ccc(Cl)cc2NC1=O ZINC000202250893 1066886922 /nfs/dbraw/zinc/88/69/22/1066886922.db2.gz RYAYYVTWKAOAJF-QISPRATLSA-N 1 0 618.537 3.961 40 0 KHABRO O=C(N/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000211412465 571576221 /nfs/dbraw/zinc/57/62/21/571576221.db2.gz ZPEXFBLUAVXYIF-HIXSDJFHSA-N 1 0 563.705 3.504 40 0 KHABRO Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2-c2nnn([C@@H](C)OC(=O)C(C)C)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000219162326 571603982 /nfs/dbraw/zinc/60/39/82/571603982.db2.gz WIRFGLSNTOSWHI-NFBKMPQASA-N 1 0 557.659 3.561 40 0 KHABRO Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2-c2nnn([C@H](C)OC(=O)C(C)C)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000219162387 571604034 /nfs/dbraw/zinc/60/40/34/571604034.db2.gz WIRFGLSNTOSWHI-NZQKXSOJSA-N 1 0 557.659 3.561 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000224278594 571512206 /nfs/dbraw/zinc/51/22/06/571512206.db2.gz NIKRNFCSHOZXCK-UHFFFAOYSA-N 1 0 519.667 3.838 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224326150 571522472 /nfs/dbraw/zinc/52/24/72/571522472.db2.gz YFRZDNWSLLTKBM-UHFFFAOYSA-N 1 0 506.068 3.532 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224326223 571522480 /nfs/dbraw/zinc/52/24/80/571522480.db2.gz SRLVTGWKRJGXTN-UHFFFAOYSA-N 1 0 506.068 3.532 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224326301 571522460 /nfs/dbraw/zinc/52/24/60/571522460.db2.gz RRNJZMGMYXUAEJ-UHFFFAOYSA-N 1 0 506.068 3.532 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224338553 571525418 /nfs/dbraw/zinc/52/54/18/571525418.db2.gz BBEHZZBNHARBTK-OAQYLSRUSA-N 1 0 506.068 3.532 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224338604 571525410 /nfs/dbraw/zinc/52/54/10/571525410.db2.gz BBEHZZBNHARBTK-NRFANRHFSA-N 1 0 506.068 3.532 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224402278 571538349 /nfs/dbraw/zinc/53/83/49/571538349.db2.gz TWTJPGPLXHZSSO-UHFFFAOYSA-N 1 0 520.095 3.922 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224402359 571538393 /nfs/dbraw/zinc/53/83/93/571538393.db2.gz GXOWKWAOPCFVLT-UHFFFAOYSA-N 1 0 520.095 3.922 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224402439 571538406 /nfs/dbraw/zinc/53/84/06/571538406.db2.gz NNDOJVQRAPMOHC-UHFFFAOYSA-N 1 0 520.095 3.922 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224414615 571541149 /nfs/dbraw/zinc/54/11/49/571541149.db2.gz MGNFUOOOZNDWHC-JOCHJYFZSA-N 1 0 520.095 3.922 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224414670 571541355 /nfs/dbraw/zinc/54/13/55/571541355.db2.gz MGNFUOOOZNDWHC-QFIPXVFZSA-N 1 0 520.095 3.922 40 0 KHABRO O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000224482098 571556385 /nfs/dbraw/zinc/55/63/85/571556385.db2.gz OWEGJHATYMBTQA-UHFFFAOYSA-N 1 0 577.747 3.971 40 0 KHABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CN2S(=O)(=O)c1ccccc1 ZINC000224505687 571562483 /nfs/dbraw/zinc/56/24/83/571562483.db2.gz FNZZLTKBQNDHHH-HHHXNRCGSA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CN2S(=O)(=O)c1ccccc1 ZINC000224505737 571562523 /nfs/dbraw/zinc/56/25/23/571562523.db2.gz FNZZLTKBQNDHHH-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3ccc(C)cc32)cc1 ZINC000224506127 571562643 /nfs/dbraw/zinc/56/26/43/571562643.db2.gz YXQRMXYPIOILTI-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)Oc3cc(C)ccc32)cc1 ZINC000224506195 571562596 /nfs/dbraw/zinc/56/25/96/571562596.db2.gz YOEXCGXYPUXPHA-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224554680 571573335 /nfs/dbraw/zinc/57/33/35/571573335.db2.gz ZLWSZSUCNVZDGU-UHFFFAOYSA-N 1 0 501.649 3.524 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccccc2)c1 ZINC000224594202 571582501 /nfs/dbraw/zinc/58/25/01/571582501.db2.gz VICCVRTVQVKLSE-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000224594356 571582642 /nfs/dbraw/zinc/58/26/42/571582642.db2.gz DKHVBXAWGJFRET-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2OC)cc1 ZINC000224604258 571584730 /nfs/dbraw/zinc/58/47/30/571584730.db2.gz HEQRLRZZICHJHO-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(F)cc2)cc1OC ZINC000224605056 571584992 /nfs/dbraw/zinc/58/49/92/571584992.db2.gz JWDGZXIJHVYUOE-UHFFFAOYSA-N 1 0 541.645 3.950 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc2)cc1OC ZINC000224605130 571584903 /nfs/dbraw/zinc/58/49/03/571584903.db2.gz MOJJPRKMUWOJIS-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000224605279 571584928 /nfs/dbraw/zinc/58/49/28/571584928.db2.gz KQUWITMRQNJFPX-UHFFFAOYSA-N 1 0 583.707 3.829 40 0 KHABRO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224605347 571584995 /nfs/dbraw/zinc/58/49/95/571584995.db2.gz XOKZDFFHHSNXDK-UHFFFAOYSA-N 1 0 539.629 3.704 40 0 KHABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000224606092 571585129 /nfs/dbraw/zinc/58/51/29/571585129.db2.gz FJSMYDHLXHZYKU-UHFFFAOYSA-N 1 0 507.656 3.944 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(F)cc2)cc1 ZINC000224606769 571585264 /nfs/dbraw/zinc/58/52/64/571585264.db2.gz KTXGTTWJCSCSAZ-UHFFFAOYSA-N 1 0 511.619 3.942 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224609472 571585922 /nfs/dbraw/zinc/58/59/22/571585922.db2.gz NSLGVUVLEGFZQL-UHFFFAOYSA-N 1 0 521.639 3.565 40 0 KHABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCC4)c3)Oc3ccccc32)cc1 ZINC000224609823 571585991 /nfs/dbraw/zinc/58/59/91/571585991.db2.gz CCBXUWLSQXSNHF-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224617273 571587731 /nfs/dbraw/zinc/58/77/31/571587731.db2.gz WABMQDHEUSSBLD-MHZLTWQESA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224617322 571587723 /nfs/dbraw/zinc/58/77/23/571587723.db2.gz WABMQDHEUSSBLD-HHHXNRCGSA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000224621861 571588812 /nfs/dbraw/zinc/58/88/12/571588812.db2.gz MHZITHFDLCNTJX-UHFFFAOYSA-N 1 0 508.059 3.933 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000224622141 571588719 /nfs/dbraw/zinc/58/87/19/571588719.db2.gz DXNOGGZGWCFSCK-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000224622207 571588789 /nfs/dbraw/zinc/58/87/89/571588789.db2.gz LFFLNXINMFLJOA-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)O2 ZINC000224625404 571589487 /nfs/dbraw/zinc/58/94/87/571589487.db2.gz DRANXOLEKZYPHD-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CN2S(=O)(=O)c1ccccc1 ZINC000224625471 571589529 /nfs/dbraw/zinc/58/95/29/571589529.db2.gz MCXJJQFGBRTQEF-HHHXNRCGSA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CN2S(=O)(=O)c1ccccc1 ZINC000224625517 571589458 /nfs/dbraw/zinc/58/94/58/571589458.db2.gz MCXJJQFGBRTQEF-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCC4)c3)Oc3ccccc32)cc1 ZINC000224626029 571589618 /nfs/dbraw/zinc/58/96/18/571589618.db2.gz WWTHPYTYUIZUGX-MHZLTWQESA-N 1 0 521.639 3.564 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCC4)c3)Oc3ccc(C)cc32)cc1 ZINC000224626096 571589669 /nfs/dbraw/zinc/58/96/69/571589669.db2.gz NXGBSXCXSXTRLY-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCC4)c3)Oc3cc(C)ccc32)cc1 ZINC000224626160 571589714 /nfs/dbraw/zinc/58/97/14/571589714.db2.gz UIJZQMAKQFVFRY-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO Cc1cc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)ccc1Br ZINC000224660514 571597808 /nfs/dbraw/zinc/59/78/08/571597808.db2.gz CWSLZWTVXDDBGH-UHFFFAOYSA-N 1 0 508.482 3.826 40 0 KHABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1I ZINC000224664813 571598608 /nfs/dbraw/zinc/59/86/08/571598608.db2.gz NPWLZQWGAZPUHK-UHFFFAOYSA-N 1 0 500.402 3.764 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224665141 571598883 /nfs/dbraw/zinc/59/88/83/571598883.db2.gz PALRXJREQHENDR-UHFFFAOYSA-N 1 0 535.666 3.955 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224665361 571598795 /nfs/dbraw/zinc/59/87/95/571598795.db2.gz ORTHWJPJMUNMOQ-MHZLTWQESA-N 1 0 505.640 3.945 40 0 KHABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224665405 571598891 /nfs/dbraw/zinc/59/88/91/571598891.db2.gz ORTHWJPJMUNMOQ-HHHXNRCGSA-N 1 0 505.640 3.945 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)Oc3ccccc32)cc1 ZINC000224684642 571603401 /nfs/dbraw/zinc/60/34/01/571603401.db2.gz OENODSFHBUOEIO-NDEPHWFRSA-N 1 0 535.666 3.954 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000224760535 571614615 /nfs/dbraw/zinc/61/46/15/571614615.db2.gz PZCGNEAESSGPGH-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000224760670 571614657 /nfs/dbraw/zinc/61/46/57/571614657.db2.gz PQDLQANOFAGYIX-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2OC)cc1 ZINC000224770048 571615428 /nfs/dbraw/zinc/61/54/28/571615428.db2.gz CPQDAYCGGOHSPQ-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(F)cc2)cc1OC ZINC000224770740 571615559 /nfs/dbraw/zinc/61/55/59/571615559.db2.gz VDQVRVAOOANTFX-UHFFFAOYSA-N 1 0 541.645 3.950 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2)cc1OC ZINC000224770802 571615565 /nfs/dbraw/zinc/61/55/65/571615565.db2.gz RSEZZGAAVARHBD-UHFFFAOYSA-N 1 0 523.655 3.811 40 0 KHABRO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000224770947 571615569 /nfs/dbraw/zinc/61/55/69/571615569.db2.gz KQKVJAFZUZBHEH-UHFFFAOYSA-N 1 0 583.707 3.829 40 0 KHABRO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1C[NH+]1CCCC1 ZINC000224771022 571615568 /nfs/dbraw/zinc/61/55/68/571615568.db2.gz RGHWVSKSBKAZIA-UHFFFAOYSA-N 1 0 539.629 3.704 40 0 KHABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000224771778 571615653 /nfs/dbraw/zinc/61/56/53/571615653.db2.gz BHHOVQCLNCPJIR-UHFFFAOYSA-N 1 0 507.656 3.944 40 0 KHABRO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccc(F)cc2)cc1 ZINC000224772409 571615679 /nfs/dbraw/zinc/61/56/79/571615679.db2.gz CQBVUPSGRPEWSP-UHFFFAOYSA-N 1 0 511.619 3.942 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224774527 571615870 /nfs/dbraw/zinc/61/58/70/571615870.db2.gz DJFNJGPXYORPAQ-UHFFFAOYSA-N 1 0 521.639 3.565 40 0 KHABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)Oc3ccccc32)cc1 ZINC000224774836 571615882 /nfs/dbraw/zinc/61/58/82/571615882.db2.gz PRZBAGZFMVWUJW-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000224774972 571615923 /nfs/dbraw/zinc/61/59/23/571615923.db2.gz IWDXXZAUYYUJSC-UHFFFAOYSA-N 1 0 532.710 3.719 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224781351 571616440 /nfs/dbraw/zinc/61/64/40/571616440.db2.gz XRYKCIICSWUZMK-MHZLTWQESA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224781401 571616457 /nfs/dbraw/zinc/61/64/57/571616457.db2.gz XRYKCIICSWUZMK-HHHXNRCGSA-N 1 0 505.640 3.696 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000224785745 571616990 /nfs/dbraw/zinc/61/69/90/571616990.db2.gz CQYKLDQZAFONBE-UHFFFAOYSA-N 1 0 508.059 3.933 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000224786006 571616987 /nfs/dbraw/zinc/61/69/87/571616987.db2.gz XEGZUXSTQLUONS-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000224786066 571617032 /nfs/dbraw/zinc/61/70/32/571617032.db2.gz RVQSDDQEMNSLNX-UHFFFAOYSA-N 1 0 534.520 3.903 40 0 KHABRO Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)O2 ZINC000224789003 571617212 /nfs/dbraw/zinc/61/72/12/571617212.db2.gz IQJYBNNPFBCEOB-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CN2S(=O)(=O)c1ccccc1 ZINC000224789060 571617262 /nfs/dbraw/zinc/61/72/62/571617262.db2.gz QDNLOJPTYFBOMU-HHHXNRCGSA-N 1 0 505.640 3.864 40 0 KHABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CN2S(=O)(=O)c1ccccc1 ZINC000224789112 571617290 /nfs/dbraw/zinc/61/72/90/571617290.db2.gz QDNLOJPTYFBOMU-MHZLTWQESA-N 1 0 505.640 3.864 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)Oc3ccccc32)cc1 ZINC000224789639 571617335 /nfs/dbraw/zinc/61/73/35/571617335.db2.gz RLHOZHSKIHECIW-MHZLTWQESA-N 1 0 521.639 3.564 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)Oc3ccc(C)cc32)cc1 ZINC000224789712 571617309 /nfs/dbraw/zinc/61/73/09/571617309.db2.gz XVHDROCKYSDWIA-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)Oc3cc(C)ccc32)cc1 ZINC000224789785 571617311 /nfs/dbraw/zinc/61/73/11/571617311.db2.gz IBOVKNYNTBBQJC-NDEPHWFRSA-N 1 0 535.666 3.872 40 0 KHABRO Cc1cc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)ccc1Br ZINC000224820339 571620191 /nfs/dbraw/zinc/62/01/91/571620191.db2.gz UIIADJWLIVZPRN-UHFFFAOYSA-N 1 0 508.482 3.826 40 0 KHABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1I ZINC000224823299 571620517 /nfs/dbraw/zinc/62/05/17/571620517.db2.gz UHHQPVADZXUIDD-UHFFFAOYSA-N 1 0 500.402 3.764 40 0 KHABRO O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224823511 571620550 /nfs/dbraw/zinc/62/05/50/571620550.db2.gz LRWKJVGZLQZXHL-UHFFFAOYSA-N 1 0 535.666 3.955 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224823728 571620541 /nfs/dbraw/zinc/62/05/41/571620541.db2.gz LMVMXYLHDBCPNQ-MHZLTWQESA-N 1 0 505.640 3.945 40 0 KHABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000224823771 571620560 /nfs/dbraw/zinc/62/05/60/571620560.db2.gz LMVMXYLHDBCPNQ-HHHXNRCGSA-N 1 0 505.640 3.945 40 0 KHABRO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCCC3)Oc3ccccc32)cc1 ZINC000224838968 571622122 /nfs/dbraw/zinc/62/21/22/571622122.db2.gz HFXBMNZKKWAWKB-NDEPHWFRSA-N 1 0 535.666 3.954 40 0 KHABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000225186165 571655812 /nfs/dbraw/zinc/65/58/12/571655812.db2.gz QUJJMGQWWLVVMJ-NKFKGCMQSA-N 1 0 506.628 3.927 40 0 KHABRO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1 ZINC000225211521 571658315 /nfs/dbraw/zinc/65/83/15/571658315.db2.gz UJGNFZONJNYVQP-VMPREFPWSA-N 1 0 562.740 3.984 40 0 KHABRO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1 ZINC000225211557 571658353 /nfs/dbraw/zinc/65/83/53/571658353.db2.gz UJGNFZONJNYVQP-WDYNHAJCSA-N 1 0 562.740 3.984 40 0 KHABRO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1 ZINC000225211603 571658335 /nfs/dbraw/zinc/65/83/35/571658335.db2.gz UJGNFZONJNYVQP-URLMMPGGSA-N 1 0 562.740 3.984 40 0 KHABRO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1 ZINC000225211643 571658348 /nfs/dbraw/zinc/65/83/48/571658348.db2.gz UJGNFZONJNYVQP-FQLXRVMXSA-N 1 0 562.740 3.984 40 0 KHABRO COc1cc(C[NH+]2CCC(NC(=S)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000225227875 571660135 /nfs/dbraw/zinc/66/01/35/571660135.db2.gz MWAVSQZGISFOCX-UHFFFAOYSA-N 1 0 505.637 3.689 40 0 KHABRO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1OC ZINC000225292831 571667428 /nfs/dbraw/zinc/66/74/28/571667428.db2.gz VUURKFZRTGPYGC-KYJUHHDHSA-N 1 0 592.766 3.993 40 0 KHABRO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1OC ZINC000225292859 571667472 /nfs/dbraw/zinc/66/74/72/571667472.db2.gz VUURKFZRTGPYGC-IHLOFXLRSA-N 1 0 592.766 3.993 40 0 KHABRO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1OC ZINC000225292892 571667492 /nfs/dbraw/zinc/66/74/92/571667492.db2.gz VUURKFZRTGPYGC-XZWHSSHBSA-N 1 0 592.766 3.993 40 0 KHABRO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1OC ZINC000225292934 571667503 /nfs/dbraw/zinc/66/75/03/571667503.db2.gz VUURKFZRTGPYGC-LOYHVIPDSA-N 1 0 592.766 3.993 40 0 KHABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225391275 571760393 /nfs/dbraw/zinc/76/03/93/571760393.db2.gz CNONPMQVTJESPI-KAYWLYCHSA-N 1 0 568.769 3.771 40 0 KHABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225391316 571760158 /nfs/dbraw/zinc/76/01/58/571760158.db2.gz CNONPMQVTJESPI-SXOMAYOGSA-N 1 0 568.769 3.771 40 0 KHABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225391361 571760265 /nfs/dbraw/zinc/76/02/65/571760265.db2.gz CNONPMQVTJESPI-RRPNLBNLSA-N 1 0 568.769 3.771 40 0 KHABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225391403 571760293 /nfs/dbraw/zinc/76/02/93/571760293.db2.gz CNONPMQVTJESPI-SVBPBHIXSA-N 1 0 568.769 3.771 40 0 KHABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)ccc1NS(C)(=O)=O ZINC000225418744 571785802 /nfs/dbraw/zinc/78/58/02/571785802.db2.gz OQLVWIVRBJQSKB-ZEQRLZLVSA-N 1 0 520.640 3.825 40 0 KHABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)ccc1NS(C)(=O)=O ZINC000225418782 571786252 /nfs/dbraw/zinc/78/62/52/571786252.db2.gz OQLVWIVRBJQSKB-RPWUZVMVSA-N 1 0 520.640 3.825 40 0 KHABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)ccc1NS(C)(=O)=O ZINC000225418823 571786296 /nfs/dbraw/zinc/78/62/96/571786296.db2.gz OQLVWIVRBJQSKB-BJKOFHAPSA-N 1 0 520.640 3.825 40 0 KHABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)ccc1NS(C)(=O)=O ZINC000225418867 571786338 /nfs/dbraw/zinc/78/63/38/571786338.db2.gz OQLVWIVRBJQSKB-DNQXCXABSA-N 1 0 520.640 3.825 40 0 KHABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422501 571789159 /nfs/dbraw/zinc/78/91/59/571789159.db2.gz KWWOXOZHHVNVNQ-NSOVKSMOSA-N 1 0 598.795 3.779 40 0 KHABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422542 571789329 /nfs/dbraw/zinc/78/93/29/571789329.db2.gz KWWOXOZHHVNVNQ-IZLXSDGUSA-N 1 0 598.795 3.779 40 0 KHABRO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422580 571789288 /nfs/dbraw/zinc/78/92/88/571789288.db2.gz KWWOXOZHHVNVNQ-WUFINQPMSA-N 1 0 598.795 3.779 40 0 KHABRO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422621 571789307 /nfs/dbraw/zinc/78/93/07/571789307.db2.gz KWWOXOZHHVNVNQ-VSGBNLITSA-N 1 0 598.795 3.779 40 0 KHABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1NS(C)(=O)=O ZINC000225473985 571843870 /nfs/dbraw/zinc/84/38/70/571843870.db2.gz CMRLGYRUUFRVKI-ZEQRLZLVSA-N 1 0 520.640 3.825 40 0 KHABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1NS(C)(=O)=O ZINC000225474018 571844031 /nfs/dbraw/zinc/84/40/31/571844031.db2.gz CMRLGYRUUFRVKI-RPWUZVMVSA-N 1 0 520.640 3.825 40 0 KHABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1NS(C)(=O)=O ZINC000225474048 571843968 /nfs/dbraw/zinc/84/39/68/571843968.db2.gz CMRLGYRUUFRVKI-BJKOFHAPSA-N 1 0 520.640 3.825 40 0 KHABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1NS(C)(=O)=O ZINC000225474088 571844612 /nfs/dbraw/zinc/84/46/12/571844612.db2.gz CMRLGYRUUFRVKI-DNQXCXABSA-N 1 0 520.640 3.825 40 0 KHABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1NS(C)(=O)=O ZINC000225477312 571847859 /nfs/dbraw/zinc/84/78/59/571847859.db2.gz QSTPPCMRPWTPOV-NSOVKSMOSA-N 1 0 598.795 3.779 40 0 KHABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1NS(C)(=O)=O ZINC000225477349 571847866 /nfs/dbraw/zinc/84/78/66/571847866.db2.gz QSTPPCMRPWTPOV-IZLXSDGUSA-N 1 0 598.795 3.779 40 0 KHABRO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1NS(C)(=O)=O ZINC000225477376 571847817 /nfs/dbraw/zinc/84/78/17/571847817.db2.gz QSTPPCMRPWTPOV-WUFINQPMSA-N 1 0 598.795 3.779 40 0 KHABRO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCC[NH+]3CCOCC3)c2C)cc1NS(C)(=O)=O ZINC000225477408 571847768 /nfs/dbraw/zinc/84/77/68/571847768.db2.gz QSTPPCMRPWTPOV-VSGBNLITSA-N 1 0 598.795 3.779 40 0 KHABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225501767 571872076 /nfs/dbraw/zinc/87/20/76/571872076.db2.gz FISUCTYZTAJELC-VSGBNLITSA-N 1 0 532.714 3.833 40 0 KHABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225501800 571871996 /nfs/dbraw/zinc/87/19/96/571871996.db2.gz FISUCTYZTAJELC-IZLXSDGUSA-N 1 0 532.714 3.833 40 0 KHABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCC[NH+]1CCOCC1 ZINC000225501834 571871905 /nfs/dbraw/zinc/87/19/05/571871905.db2.gz 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O=C1CCCCCN1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585281686 1066308740 /nfs/dbraw/zinc/30/87/40/1066308740.db2.gz PAYCNTAISNWOSS-XTEPFMGCSA-N 1 0 517.066 3.888 40 0 KHABRO O=C1CCCCCN1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585281697 1066309588 /nfs/dbraw/zinc/30/95/88/1066309588.db2.gz PFJJSQIJLDAXNQ-XCZPVHLTSA-N 1 0 517.066 3.888 40 0 KHABRO Cc1cc(OC[C@@]2(O)C[N@H+](Cc3cccc(OCCCn4cccn4)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585281770 1066309387 /nfs/dbraw/zinc/30/93/87/1066309387.db2.gz REROTRVOJURQOS-BDYUSTAISA-N 1 0 500.039 3.999 40 0 KHABRO Cc1nccn1CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)c1 ZINC000585281880 1066308906 /nfs/dbraw/zinc/30/89/06/1066308906.db2.gz RUZYCHIQQPUMBM-BDYUSTAISA-N 1 0 500.039 3.917 40 0 KHABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)c1 ZINC000585281961 1066312609 /nfs/dbraw/zinc/31/26/09/1066312609.db2.gz VQDULFXUTBKRCT-SVBPBHIXSA-N 1 0 500.039 3.999 40 0 KHABRO CCc1nccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585282148 1066314000 /nfs/dbraw/zinc/31/40/00/1066314000.db2.gz YIRCCBIWODNZRP-BDYUSTAISA-N 1 0 500.039 3.945 40 0 KHABRO Cc1nccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585282195 1066313597 /nfs/dbraw/zinc/31/35/97/1066313597.db2.gz ZFSASDCARZSDFI-SVBPBHIXSA-N 1 0 500.039 3.999 40 0 KHABRO Cc1cc(OC[C@@]2(O)C[N@H+](Cc3cccc(OCCCN4CCCC4=O)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585282499 1066313954 /nfs/dbraw/zinc/31/39/54/1066313954.db2.gz LDYLCQCPDRCSJC-LSYYVWMOSA-N 1 0 517.066 3.725 40 0 KHABRO CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)C[N@H+](CCC(C)C)CCO2)CC1 ZINC000585283914 1066314174 /nfs/dbraw/zinc/31/41/74/1066314174.db2.gz ISCSCKXZKNKTRH-HHHXNRCGSA-N 1 0 508.103 3.970 40 0 KHABRO CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)C[N@H+](CCC(C)C)CCO2)CC1 ZINC000585283916 1066313456 /nfs/dbraw/zinc/31/34/56/1066313456.db2.gz ISCSCKXZKNKTRH-MHZLTWQESA-N 1 0 508.103 3.970 40 0 KHABRO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)C[NH+]3CCCCC3)C2)cc(C)c1Cl ZINC000585285206 1066317480 /nfs/dbraw/zinc/31/74/80/1066317480.db2.gz CTDDOWOHIMQWQJ-MUUNZHRXSA-N 1 0 520.114 3.804 40 0 KHABRO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)C[NH+]3CCCCC3)C2)cc(C)c1Cl ZINC000585285215 1066317642 /nfs/dbraw/zinc/31/76/42/1066317642.db2.gz CTDDOWOHIMQWQJ-NDEPHWFRSA-N 1 0 520.114 3.804 40 0 KHABRO Cc1cnn(CCCOc2cccc(C[N@@H+]3CC[C@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)c2)c1 ZINC000585286690 1066317588 /nfs/dbraw/zinc/31/75/88/1066317588.db2.gz HSTATTYFGOIPOU-UIOOFZCWSA-N 1 0 504.002 3.830 40 0 KHABRO Cc1cc(C)n(CCOc2cccc(C[N@@H+]3CC[C@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)c2)n1 ZINC000585287273 1066315221 /nfs/dbraw/zinc/31/52/21/1066315221.db2.gz LUZOYYFLHXJDQL-UIOOFZCWSA-N 1 0 504.002 3.748 40 0 KHABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)c1 ZINC000585287284 1066315293 /nfs/dbraw/zinc/31/52/93/1066315293.db2.gz MDGOVIPHQXSISP-UIOOFZCWSA-N 1 0 504.002 3.830 40 0 KHABRO CCOc1cc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)ccc1OCC(N)=O ZINC000585291671 1066318478 /nfs/dbraw/zinc/31/84/78/1066318478.db2.gz BABVNZACTXKOKO-UHFFFAOYSA-N 1 0 525.675 3.882 40 0 KHABRO COc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCOCC5)c(C)c43)CC2)cc1Cc1c(C)n[nH]c1C ZINC000585291722 1066318102 /nfs/dbraw/zinc/31/81/02/1066318102.db2.gz BPHVFNVDQZFJGW-UHFFFAOYSA-N 1 0 589.766 3.910 40 0 KHABRO CCc1nccn1Cc1cc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCOCC5)c(C)c43)CC2)ccc1OC ZINC000585291735 1066318137 /nfs/dbraw/zinc/31/81/37/1066318137.db2.gz BUOGRKYTIPUPID-UHFFFAOYSA-N 1 0 589.766 3.786 40 0 KHABRO CCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCOCC5)c(C)c43)CC2)cc1Cn1ccnc1 ZINC000585292878 1066318194 /nfs/dbraw/zinc/31/81/94/1066318194.db2.gz PJJMLEQCMVPSRS-UHFFFAOYSA-N 1 0 575.739 3.614 40 0 KHABRO CC1(C)Cc2c(sc3ncnc(NC4CC[NH+](Cc5ccc(OCCCN6CC(=O)NC6=O)cc5)CC4)c23)CO1 ZINC000585292982 1066319215 /nfs/dbraw/zinc/31/92/15/1066319215.db2.gz QMUBOSSRSUSAEC-UHFFFAOYSA-N 1 0 564.712 3.940 40 0 KHABRO CCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N(C)C)c(C)c43)CC2)cc1Cn1ccnc1 ZINC000585293174 1066318325 /nfs/dbraw/zinc/31/83/25/1066318325.db2.gz DDZAJZGUKYEZSB-UHFFFAOYSA-N 1 0 533.702 3.843 40 0 KHABRO CCn1c2ccc(C[NH+]3CCC(Nc4ncnc5sc(C(=O)N6CCCC6)c(C)c54)CC3)cc2n(CC)c1=O ZINC000585293449 1066318289 /nfs/dbraw/zinc/31/82/89/1066318289.db2.gz HOECGXYTCFFFSC-UHFFFAOYSA-N 1 0 547.729 3.890 40 0 KHABRO COCCOc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCCC5)c(C)c43)CC2)cc1OC ZINC000585293480 1066317921 /nfs/dbraw/zinc/31/79/21/1066317921.db2.gz IBPVGVBTSTXLHY-UHFFFAOYSA-N 1 0 539.702 3.768 40 0 KHABRO COc1ccc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCOCC5)c(C)c43)CC2)cc1Cn1ccnc1C ZINC000585293516 1066318543 /nfs/dbraw/zinc/31/85/43/1066318543.db2.gz ILTDMRZXZVXHRE-UHFFFAOYSA-N 1 0 575.739 3.532 40 0 KHABRO Cc1c(C(=O)N2CCCC2)sc2ncnc(NC3CC[NH+](Cc4ccc(OCCCN5C(=O)NC(C)(C)C5=O)cc4)CC3)c12 ZINC000585294120 1066319046 /nfs/dbraw/zinc/31/90/46/1066319046.db2.gz OEMJGRSFYRLLSM-UHFFFAOYSA-N 1 0 619.792 3.833 40 0 KHABRO CCOc1cc(C[NH+]2CCC(Nc3ncnc4sc(C(=O)N5CCCC5)c(C)c43)CC2)ccc1OCCO ZINC000585294454 1066318386 /nfs/dbraw/zinc/31/83/86/1066318386.db2.gz RPWRWDSMOQCMCZ-UHFFFAOYSA-N 1 0 539.702 3.504 40 0 KHABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382052 1066506866 /nfs/dbraw/zinc/50/68/66/1066506866.db2.gz BAMYFWGJOOUAEU-MOUTVQLLSA-N 1 0 503.521 3.644 40 0 biogenic,in-vitro KHABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382580 1066506747 /nfs/dbraw/zinc/50/67/47/1066506747.db2.gz SPJTZGSEFKBCJM-GXRSIYKFSA-N 1 0 501.505 3.581 40 0 biogenic,in-vitro KHABRO CC(C)(C)CN1Cc2ccccc2OCC=C[C@H]2CN(CC[C@H]2CC(=O)NCC[NH+]2CCCC2)C(=O)C1 ZINC000958317684 1066841157 /nfs/dbraw/zinc/84/11/57/1066841157.db2.gz DDICJMYHGDZOAB-DQEYMECFSA-N 1 0 510.723 3.550 40 0 KHABRO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1C[N@@H+](C1CCCC1)CC2=O)NCc1ccccn1 ZINC000958317717 1066841184 /nfs/dbraw/zinc/84/11/84/1066841184.db2.gz HMFGPFXYJFQKNC-ZEQRLZLVSA-N 1 0 502.659 3.946 40 0 KHABRO CCCCCC(=O)N1Cc2ccccc2OCC=C[C@H]2CN(CC[C@H]2CC(=O)NCC[NH+]2CCCC2)C(=O)C1 ZINC000958317720 1066841300 /nfs/dbraw/zinc/84/13/00/1066841300.db2.gz HPCMUHXOWSIQIP-UIOOFZCWSA-N 1 0 538.733 3.611 40 0 KHABRO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccc(F)cc1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317765 1066841290 /nfs/dbraw/zinc/84/12/90/1066841290.db2.gz LOGXIXHZCVOHFN-SVBPBHIXSA-N 1 0 548.703 3.843 40 0 KHABRO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)C1CCCCC1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317783 1066841147 /nfs/dbraw/zinc/84/11/47/1066841147.db2.gz NDELOCKGIYIRHY-SVBPBHIXSA-N 1 0 550.744 3.611 40 0 KHABRO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccc1)CC2=O)NCC[NH+]1CCCC1 ZINC000958317808 1066841063 /nfs/dbraw/zinc/84/10/63/1066841063.db2.gz PENBADANLVGWJR-NSOVKSMOSA-N 1 0 530.713 3.704 40 0 KHABRO COc1cccc(CN2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)c1 ZINC000958317821 1066841348 /nfs/dbraw/zinc/84/13/48/1066841348.db2.gz PSXPQYAZYBKPFO-NSOVKSMOSA-N 1 0 560.739 3.713 40 0 KHABRO COc1ccc(CN2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NCC[NH+]3CCCC3)C(=O)C2)cc1 ZINC000958317828 1066841249 /nfs/dbraw/zinc/84/12/49/1066841249.db2.gz QKPWXBAMRUVUPS-NSOVKSMOSA-N 1 0 560.739 3.713 40 0 KHABRO COc1cc(C[N@@H+]2CC[C@H]3CC(=O)N(CC4CC4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)cc(OC)c1OC ZINC001534604424 1066873421 /nfs/dbraw/zinc/87/34/21/1066873421.db2.gz GLFHCHNOPKQGNL-DPZBCOQUSA-N 1 0 532.722 3.977 40 0 KHABRO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O ZINC001534604445 1066873328 /nfs/dbraw/zinc/87/33/28/1066873328.db2.gz KHLQKUAWSRBXRF-DPZBCOQUSA-N 1 0 500.680 3.722 40 0 KHABRO CC(=O)N1CCC([N@@H+]2CC[C@H]3CC(=O)N(Cc4ccccc4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)CC1 ZINC001534611671 1066873479 /nfs/dbraw/zinc/87/34/79/1066873479.db2.gz BSWSHDDPADIEJD-NSVAZKTRSA-N 1 0 513.723 3.552 40 0 KHABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4cncnc4)CC[C@H]3CC2=O)cc1 ZINC001534612524 1066873490 /nfs/dbraw/zinc/87/34/90/1066873490.db2.gz IBBRKCRAIHUIFS-NSVAZKTRSA-N 1 0 524.706 3.582 40 0 KHABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@@H+](C4CCN(C(C)=O)CC4)CC[C@H]3CC2=O)cc1 ZINC001534612740 1066873533 /nfs/dbraw/zinc/87/35/33/1066873533.db2.gz KERGGGWCHGVWAG-VWYPKUQYSA-N 1 0 557.776 3.603 40 0 KHABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4cnc[nH]4)CC[C@H]3CC2=O)cc1 ZINC001534612828 1066873441 /nfs/dbraw/zinc/87/34/41/1066873441.db2.gz LZUCOVPJFHQQRI-DPZBCOQUSA-N 1 0 512.695 3.515 40 0 KHABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@@H+](C4CCN(C)CC4)CC[C@H]3CC2=O)cc1 ZINC001534613285 1066873186 /nfs/dbraw/zinc/87/31/86/1066873186.db2.gz RJLKLQLPGQBAIB-ZEZDXWPOSA-N 1 0 529.766 3.686 40 0 KHABRO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](CC4=CCCOC4)CC[C@H]3CC2=O)cc1 ZINC001534613525 1066873237 /nfs/dbraw/zinc/87/32/37/1066873237.db2.gz VWFFCVBIHACKNL-YCVJPRETSA-N 1 0 528.734 3.939 40 0 KHABRO COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCCCN3CC[NH+](C)CC3)ccc2c1 ZINC001547201087 1066875957 /nfs/dbraw/zinc/87/59/57/1066875957.db2.gz VSJSYEQNUROBQC-UHFFFAOYSA-N 1 0 503.599 3.819 40 0 KHABRO CC(C)(C)CC[NH+]1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548888778 1066877173 /nfs/dbraw/zinc/87/71/73/1066877173.db2.gz AATFIHUBAGRPGM-RDGATRHJSA-N 1 0 591.721 3.925 40 0 KHABRO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548888785 1066877182 /nfs/dbraw/zinc/87/71/82/1066877182.db2.gz APEHTKWFWMTUOQ-IAPPQJPRSA-N 1 0 609.720 3.559 40 0 KHABRO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4ccccc4C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548888822 1066877132 /nfs/dbraw/zinc/87/71/32/1066877132.db2.gz BBFKDCQFPOTPTB-PXJZQJOASA-N 1 0 605.757 3.728 40 0 KHABRO CC(C)(C)CC[NH+]1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548888909 1066877116 /nfs/dbraw/zinc/87/71/16/1066877116.db2.gz CBYHTQNXNKBXKZ-RPBOFIJWSA-N 1 0 555.741 3.647 40 0 KHABRO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889067 1066877150 /nfs/dbraw/zinc/87/71/50/1066877150.db2.gz FYGXREGSFRIGBO-VPUSJEBWSA-N 1 0 579.694 3.550 40 0 KHABRO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](CC4CCCCC4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548889598 1066877179 /nfs/dbraw/zinc/87/71/79/1066877179.db2.gz HULUJQADFXZZSG-IAPPQJPRSA-N 1 0 597.778 3.800 40 0 KHABRO CC(C)c1ccc2c(c1)OCCC1(CC[NH+](Cc3ccccc3Cl)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548889603 1066877068 /nfs/dbraw/zinc/87/70/68/1066877068.db2.gz IBKPDDFVZQOROG-VWNXMTODSA-N 1 0 562.132 3.521 40 0 KHABRO O=C1NC2(CC[NH+](CC3CCCCC3)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889613 1066877047 /nfs/dbraw/zinc/87/70/47/1066877047.db2.gz INEYYGHKQISOGY-SXOMAYOGSA-N 1 0 567.752 3.791 40 0 KHABRO O=C1NC2(CC[NH+](CC3CCCC3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889623 1066877175 /nfs/dbraw/zinc/87/71/75/1066877175.db2.gz JKFJOZSDBOJNFB-BVAGGSTKSA-N 1 0 589.705 3.679 40 0 KHABRO Cc1ccccc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548889668 1066877128 /nfs/dbraw/zinc/87/71/28/1066877128.db2.gz JWSAMELGYMNKCF-IZLXSDGUSA-N 1 0 575.731 3.719 40 0 KHABRO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889933 1066877102 /nfs/dbraw/zinc/87/71/02/1066877102.db2.gz MHEHPCITIPXWAR-SXOMAYOGSA-N 1 0 579.694 3.550 40 0 KHABRO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890242 1066877094 /nfs/dbraw/zinc/87/70/94/1066877094.db2.gz NNONZYNBEPQCGA-SQHAQQRYSA-N 1 0 615.674 3.828 40 0 KHABRO COc1ccc(C[NH+]2CCC3(CC2)CCOc2cc(-c4ccc(F)cc4F)ccc2S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N3)cc1 ZINC001548890467 1066877755 /nfs/dbraw/zinc/87/77/55/1066877755.db2.gz PYERIWGXWHPMMJ-YWEHKCAJSA-N 1 0 627.710 3.698 40 0 KHABRO O=C1NC2(CC[NH+](Cc3cccs3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890508 1066877611 /nfs/dbraw/zinc/87/76/11/1066877611.db2.gz RACGQBHEBKTJDR-BWKNWUBXSA-N 1 0 603.713 3.751 40 0 KHABRO COc1ccccc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890613 1066877764 /nfs/dbraw/zinc/87/77/64/1066877764.db2.gz UFGPUKAEILNLAY-SQHAQQRYSA-N 1 0 627.710 3.698 40 0 KHABRO Cc1ccccc1C[NH+]1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890956 1066877563 /nfs/dbraw/zinc/87/75/63/1066877563.db2.gz VCTVGQACJDGYMP-NAKRPHOHSA-N 1 0 611.711 3.998 40 0 KHABRO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](CCC(C)(C)C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548890985 1066877792 /nfs/dbraw/zinc/87/77/92/1066877792.db2.gz VJVNMFHSZZUSQE-RSXGOPAZSA-N 1 0 585.767 3.656 40 0 KHABRO COc1cccc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4ccccc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548891122 1066877532 /nfs/dbraw/zinc/87/75/32/1066877532.db2.gz XOQMVTCNOYENJF-NAKRPHOHSA-N 1 0 609.720 3.559 40 0 KHABRO CC(C)CC[NH+]1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548891254 1066877796 /nfs/dbraw/zinc/87/77/96/1066877796.db2.gz ZCPVUDQUJXUXHC-RDGATRHJSA-N 1 0 577.694 3.535 40 0 KHABRO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548891320 1066877689 /nfs/dbraw/zinc/87/76/89/1066877689.db2.gz ZNZWGGXTEFWDHY-KCWPFWIISA-N 1 0 615.674 3.828 40 0 KHABRO O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C2CCCC[NH2+]2)C1 ZINC001560403757 1066878504 /nfs/dbraw/zinc/87/85/04/1066878504.db2.gz PJZWNGGDMRLRGI-UHFFFAOYSA-N 1 0 530.308 3.944 40 0 KHABRO COc1c(Nc2ncc(Cl)c(NC3=C(C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H]([NH+]1CCOCC1)CC2 ZINC001560406232 1066878444 /nfs/dbraw/zinc/87/84/44/1066878444.db2.gz OFZNOQIMCHTPOI-QYZOEREBSA-N 1 0 537.064 3.819 40 0 KHABRO CC(C)(C)NC(=O)C1=[N+](CC(O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3CC2O)CCN(Cc2cccnc2)C1 ZINC001560407590 1066878906 /nfs/dbraw/zinc/87/89/06/1066878906.db2.gz STSUUJQQOBOTAX-YDYNHKSESA-N 1 0 610.779 3.737 40 0 KHABRO