smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C[NH+](C)C)c3Cl)cccn2c1Br ZINC000001886829 561679964 /nfs/dbraw/zinc/67/99/64/561679964.db2.gz YLNASYHTPOFYSX-UHFFFAOYSA-N 1 1 557.276 3.932 1 0 KHAFMO O=S(=O)(N[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003784026 561682338 /nfs/dbraw/zinc/68/23/38/561682338.db2.gz IKASFGAIJDOSDK-QHCPKHFHSA-N 1 1 505.566 3.516 1 0 KHAFMO Cc1cccc(/C=C/C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)c1 ZINC000003810883 561682728 /nfs/dbraw/zinc/68/27/28/561682728.db2.gz POOFQLQPMSQKAT-TVOCXUCUSA-N 1 1 500.639 3.805 1 0 KHAFMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000003819343 561683164 /nfs/dbraw/zinc/68/31/64/561683164.db2.gz NWNRAEPFIKOHBQ-XMMPIXPASA-N 1 1 533.673 3.863 1 0 KHAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c1C ZINC000003832096 561683531 /nfs/dbraw/zinc/68/35/31/561683531.db2.gz PTDUDCRDRXTZTQ-WUFINQPMSA-N 1 1 681.856 3.870 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000003915799 561684755 /nfs/dbraw/zinc/68/47/55/561684755.db2.gz VFMKUYMXRFUTPT-PXRFWVEESA-N 1 1 702.922 3.642 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@H+]3CC[C@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@H](F)C3)c2c1 ZINC000003917545 561685180 /nfs/dbraw/zinc/68/51/80/561685180.db2.gz WJAKHOJSUXKJOB-CBQOVEMMSA-N 1 1 532.041 3.572 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@@H+]3CC[C@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@H](F)C3)c2c1 ZINC000003917545 561685179 /nfs/dbraw/zinc/68/51/79/561685179.db2.gz WJAKHOJSUXKJOB-CBQOVEMMSA-N 1 1 532.041 3.572 1 0 KHAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000003930368 561687266 /nfs/dbraw/zinc/68/72/66/561687266.db2.gz DYRQCFKJNPXYSL-XHTFZTLQSA-N 1 1 605.842 3.692 1 0 KHAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000003930368 561687265 /nfs/dbraw/zinc/68/72/65/561687265.db2.gz DYRQCFKJNPXYSL-XHTFZTLQSA-N 1 1 605.842 3.692 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCCC[C@H]12 ZINC000003930684 561687314 /nfs/dbraw/zinc/68/73/14/561687314.db2.gz GGSRUTDSWCRZNI-NBDAMYGJSA-N 1 1 571.759 3.632 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCCC[C@@H]12 ZINC000003930691 561687320 /nfs/dbraw/zinc/68/73/20/561687320.db2.gz GGSRUTDSWCRZNI-DBMFPBDGSA-N 1 1 571.759 3.632 1 0 KHAFMO CCOC(=O)[C@H]1C[N@@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 ZINC000003936601 561688591 /nfs/dbraw/zinc/68/85/91/561688591.db2.gz IPBOROXXRHATRV-UNMCSNQZSA-N 1 1 505.036 3.934 1 0 KHAFMO CCOC(=O)[C@@H]1C[N@@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 ZINC000003936602 561688576 /nfs/dbraw/zinc/68/85/76/561688576.db2.gz IPBOROXXRHATRV-IFMALSPDSA-N 1 1 505.036 3.934 1 0 KHAFMO CCOC(=O)[C@@H]1C[N@@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 ZINC000003936603 561688666 /nfs/dbraw/zinc/68/86/66/561688666.db2.gz IPBOROXXRHATRV-RBBKRZOGSA-N 1 1 505.036 3.934 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000003938824 561688871 /nfs/dbraw/zinc/68/88/71/561688871.db2.gz QDRQEEPEBNONJL-KQZFZZGISA-N 1 1 539.742 3.996 1 0 KHAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CC[N@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000003944220 561689747 /nfs/dbraw/zinc/68/97/47/561689747.db2.gz NXJBGBMSUYPTGF-NJSKGKFKSA-N 1 1 585.745 3.945 1 0 KHAFMO COc1ccc(C(=O)Nc2cccc(OCCO)c2NC(=O)c2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000003955154 561690838 /nfs/dbraw/zinc/69/08/38/561690838.db2.gz VGWZNBYCFHUGJL-UHFFFAOYSA-N 1 1 518.614 3.713 1 0 KHAFMO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc21 ZINC000003955298 561690816 /nfs/dbraw/zinc/69/08/16/561690816.db2.gz UYMDKKVILQGGBT-ZTOMLWHTSA-N 1 1 551.695 3.764 1 0 KHAFMO Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000003976347 561691943 /nfs/dbraw/zinc/69/19/43/561691943.db2.gz DRZLAUYXLXUZDX-BCQCSXDESA-N 1 1 587.708 3.842 1 0 KHAFMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N2CCC[C@H]2C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1 ZINC000004098486 560195776 /nfs/dbraw/zinc/19/57/76/560195776.db2.gz DTRFQNPOYWLHOU-RIINEJRYSA-N 1 1 552.675 3.556 1 0 in-vitro KHAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c1C ZINC000004423276 561694845 /nfs/dbraw/zinc/69/48/45/561694845.db2.gz PTDUDCRDRXTZTQ-NSOVKSMOSA-N 1 1 681.856 3.870 1 0 KHAFMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H](O)C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000004804520 561695457 /nfs/dbraw/zinc/69/54/57/561695457.db2.gz ULKKVMYTACUXQA-UTYXIPFNSA-N 1 1 564.635 3.508 1 0 KHAFMO COC(=O)[C@@H]1[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H](O)C[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000004804520 561695455 /nfs/dbraw/zinc/69/54/55/561695455.db2.gz ULKKVMYTACUXQA-UTYXIPFNSA-N 1 1 564.635 3.508 1 0 KHAFMO Nc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439476 561712366 /nfs/dbraw/zinc/71/23/66/561712366.db2.gz BBZYLZUPRQGZEQ-HHHXNRCGSA-N 1 1 506.716 3.950 1 0 KHAFMO Nc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439480 561712313 /nfs/dbraw/zinc/71/23/13/561712313.db2.gz BBZYLZUPRQGZEQ-MHZLTWQESA-N 1 1 506.716 3.950 1 0 KHAFMO COc1ccc2c(c1)[C@](O)(C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439707 561712343 /nfs/dbraw/zinc/71/23/43/561712343.db2.gz HROMPGSHGXAFBQ-SSEXGKCCSA-N 1 1 537.726 3.652 1 0 in-vivo KHAFMO COc1ccc2c(c1)[C@@](O)(C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439708 561712400 /nfs/dbraw/zinc/71/24/00/561712400.db2.gz HROMPGSHGXAFBQ-PMERELPUSA-N 1 1 537.726 3.652 1 0 in-vivo KHAFMO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1C(N)=O)c1ccc2cc[nH+]c(N)c2c1 ZINC000013444923 561713066 /nfs/dbraw/zinc/71/30/66/561713066.db2.gz SOYGOCNMUHGZBK-OEAKJJBVSA-N 1 1 519.558 3.570 1 0 KHAFMO CC[NH+]1CCN(C(=O)c2cc(C)c(/C=C3\C(=O)Nc4ncnc(Nc5ccc(F)c(Cl)c5)c43)[nH]2)CC1 ZINC000013445447 561713062 /nfs/dbraw/zinc/71/30/62/561713062.db2.gz IKPVHBRKTATKGA-VBKFSLOCSA-N 1 1 509.973 3.920 1 0 KHAFMO O=C1CC[C@](CC[NH+]2CC(N3CCOCC3=O)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000013492389 561716272 /nfs/dbraw/zinc/71/62/72/561716272.db2.gz FPJVKUSRWZBOFF-HHHXNRCGSA-N 1 1 516.469 3.987 1 0 KHAFMO O=C1CC[C@@](CC[NH+]2CC(N3CCOCC3=O)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000013492390 561716312 /nfs/dbraw/zinc/71/63/12/561716312.db2.gz FPJVKUSRWZBOFF-MHZLTWQESA-N 1 1 516.469 3.987 1 0 KHAFMO CCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000013493034 561716535 /nfs/dbraw/zinc/71/65/35/561716535.db2.gz PSEWCVKKIXIZNJ-CTZUUEIXSA-N 1 1 513.638 3.641 1 0 KHAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519292 561716921 /nfs/dbraw/zinc/71/69/21/561716921.db2.gz JWKDAXNMZQKVPL-UHFFFAOYSA-N 1 1 520.580 3.890 1 0 KHAFMO Cc1c(-c2cccc(O)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013519319 561716957 /nfs/dbraw/zinc/71/69/57/561716957.db2.gz DSPYGRHBEAKREG-UHFFFAOYSA-N 1 1 506.553 3.587 1 0 KHAFMO COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000013519329 561716970 /nfs/dbraw/zinc/71/69/70/561716970.db2.gz BNWLRWBTEPFFPQ-UHFFFAOYSA-N 1 1 520.580 3.890 1 0 KHAFMO COc1cccc(-c2cn(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519335 561716897 /nfs/dbraw/zinc/71/68/97/561716897.db2.gz CNCQJESYDWCKOG-UHFFFAOYSA-N 1 1 506.553 3.582 1 0 KHAFMO CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000013523933 561717180 /nfs/dbraw/zinc/71/71/80/561717180.db2.gz FRYOMSQSMMVAIX-VCLLDZPSSA-N 1 1 507.675 3.812 1 0 KHAFMO CC[N@H+]1CCOCCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O ZINC000013538513 561717987 /nfs/dbraw/zinc/71/79/87/561717987.db2.gz FNTXTLNLTQPVBJ-UHFFFAOYSA-N 1 1 512.610 3.532 1 0 KHAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)Cc3ccccn3)c2=O)c1 ZINC000013553274 561718289 /nfs/dbraw/zinc/71/82/89/561718289.db2.gz UFXOSDJXIGXBES-UHFFFAOYSA-N 1 1 506.553 3.848 1 0 KHAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)Cc3ccccn3)c2=O)c1 ZINC000013553274 561718287 /nfs/dbraw/zinc/71/82/87/561718287.db2.gz UFXOSDJXIGXBES-UHFFFAOYSA-N 1 1 506.553 3.848 1 0 KHAFMO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000013558959 561719464 /nfs/dbraw/zinc/71/94/64/561719464.db2.gz LAZZVCKIYLCZIQ-HXUWFJFHSA-N 1 1 514.619 3.661 1 0 KHAFMO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000013558960 561719485 /nfs/dbraw/zinc/71/94/85/561719485.db2.gz LAZZVCKIYLCZIQ-FQEVSTJZSA-N 1 1 514.619 3.661 1 0 KHAFMO Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000013559348 561719512 /nfs/dbraw/zinc/71/95/12/561719512.db2.gz NZFOAFMMTRRDOT-KAYWLYCHSA-N 1 1 517.073 3.739 1 0 KHAFMO CCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000013559349 561719471 /nfs/dbraw/zinc/71/94/71/561719471.db2.gz WYESQGRQMVSACX-VSGBNLITSA-N 1 1 531.100 3.993 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1c2c(ccc1Br)OCO2 ZINC000013559421 561719475 /nfs/dbraw/zinc/71/94/75/561719475.db2.gz DKAYYTAEGKGYQO-UHFFFAOYSA-N 1 1 517.380 3.974 1 0 KHAFMO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000013583203 561720302 /nfs/dbraw/zinc/72/03/02/561720302.db2.gz NENZRENNFBHTCG-QFIPXVFZSA-N 1 1 528.484 3.945 1 0 KHAFMO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000013583207 561720325 /nfs/dbraw/zinc/72/03/25/561720325.db2.gz NENZRENNFBHTCG-JOCHJYFZSA-N 1 1 528.484 3.945 1 0 KHAFMO CC(C)c1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000013589357 561721345 /nfs/dbraw/zinc/72/13/45/561721345.db2.gz AKFRORBIZCPZBM-LJQANCHMSA-N 1 1 527.597 3.714 1 0 KHAFMO CC(C)C(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000013589358 561721341 /nfs/dbraw/zinc/72/13/41/561721341.db2.gz KSPSQORQPNZJBF-HXUWFJFHSA-N 1 1 523.609 3.617 1 0 KHAFMO CC(C)C(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000013589361 561721399 /nfs/dbraw/zinc/72/13/99/561721399.db2.gz CTWIZXQDVKXBFA-HXUWFJFHSA-N 1 1 529.657 3.682 1 0 KHAFMO CCC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000013589363 561721351 /nfs/dbraw/zinc/72/13/51/561721351.db2.gz FSPZCIKEKYKFNG-HXUWFJFHSA-N 1 1 529.657 3.826 1 0 KHAFMO C[NH+]1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC(F)(F)F)CCCCC4)cc3)cs2)CC1 ZINC000013676400 561724198 /nfs/dbraw/zinc/72/41/98/561724198.db2.gz OPPAJAHIIRKXDZ-UHFFFAOYSA-N 1 1 509.598 3.673 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc(C(=O)Nc2ccc(F)cc2)c[nH]1 ZINC000013680347 561724594 /nfs/dbraw/zinc/72/45/94/561724594.db2.gz CZWFMNGZVXFFDM-UHFFFAOYSA-N 1 1 521.553 3.598 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ncc(CC(=O)NCCC(C)C)s1 ZINC000013680349 561724612 /nfs/dbraw/zinc/72/46/12/561724612.db2.gz HBNGNYDOGUNIOV-UHFFFAOYSA-N 1 1 528.679 3.644 1 0 KHAFMO CC(C)Nc1ccc[nH+]c1N(C)C1CCN(C(=O)c2cc3ccc(OCCOCCOCCO)cc3[nH]2)CC1 ZINC000013758733 561727372 /nfs/dbraw/zinc/72/73/72/561727372.db2.gz MAHKICLCUFADJL-UHFFFAOYSA-N 1 1 539.677 3.529 1 0 KHAFMO CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000013758785 561727417 /nfs/dbraw/zinc/72/74/17/561727417.db2.gz ZICISMADASVWBX-UHFFFAOYSA-N 1 1 532.693 3.905 1 0 KHAFMO COc1ccccc1N1CC[NH+](CCN2C(=O)CC[C@@H]2c2ccc(I)cc2)CC1 ZINC000013776821 561728622 /nfs/dbraw/zinc/72/86/22/561728622.db2.gz KEQNIHXKRPJYPV-HXUWFJFHSA-N 1 1 505.400 3.786 1 0 KHAFMO COc1ccccc1N1CC[NH+](CCN2C(=O)CC[C@H]2c2ccc(I)cc2)CC1 ZINC000013776823 561728625 /nfs/dbraw/zinc/72/86/25/561728625.db2.gz KEQNIHXKRPJYPV-FQEVSTJZSA-N 1 1 505.400 3.786 1 0 KHAFMO COc1cc2[nH+]c(N3CCN(C(=O)C(C)(C)Oc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC ZINC000013782859 561729846 /nfs/dbraw/zinc/72/98/46/561729846.db2.gz RAMKRNRAZRVJGG-UHFFFAOYSA-N 1 1 523.634 3.867 1 0 KHAFMO CN(Cc1ccc(S(C)(=O)=O)cc1)CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013802589 561730793 /nfs/dbraw/zinc/73/07/93/561730793.db2.gz SRXFVJJCPAFDBE-UHFFFAOYSA-N 1 1 520.703 3.929 1 0 KHAFMO COC(=O)c1ccc2sc3c([nH]c(=O)n(CC[N@H+]4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1 ZINC000013807871 561731581 /nfs/dbraw/zinc/73/15/81/561731581.db2.gz IUVZIQRYAOYUSW-OXJNMPFZSA-N 1 1 505.596 3.774 1 0 KHAFMO COCCOCC[N@@H+](CCOC)[C@@H](Cc1ccc(F)cc1)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822178 561732748 /nfs/dbraw/zinc/73/27/48/561732748.db2.gz GVVWJYWBLCXJJI-IBGZPJMESA-N 1 1 516.682 3.645 1 0 KHAFMO COCCOCC[N@@H+](CCOC)[C@H](Cc1ccc(F)cc1)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822180 561732798 /nfs/dbraw/zinc/73/27/98/561732798.db2.gz GVVWJYWBLCXJJI-LJQANCHMSA-N 1 1 516.682 3.645 1 0 KHAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNc2c(=O)n(C)nc(-c3ccccc3)c2C(C)=O)CC1 ZINC000013863386 561735012 /nfs/dbraw/zinc/73/50/12/561735012.db2.gz NRYJUVLALBJESR-UHFFFAOYSA-N 1 1 510.038 3.936 1 0 KHAFMO O=S(=O)(N[C@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013890116 561735479 /nfs/dbraw/zinc/73/54/79/561735479.db2.gz IKASFGAIJDOSDK-HSZRJFAPSA-N 1 1 505.566 3.516 1 0 KHAFMO Cc1ccc(Oc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000013913932 561735695 /nfs/dbraw/zinc/73/56/95/561735695.db2.gz IVNUKWQMKLKFEF-QHCPKHFHSA-N 1 1 504.631 3.882 1 0 KHAFMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013975072 561735884 /nfs/dbraw/zinc/73/58/84/561735884.db2.gz NWNRAEPFIKOHBQ-DEOSSOPVSA-N 1 1 533.673 3.863 1 0 KHAFMO COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CC[NH+](C)C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000014140394 561737103 /nfs/dbraw/zinc/73/71/03/561737103.db2.gz KUZBKIYSYFCFOT-QPLCGJKRSA-N 1 1 534.638 3.733 1 0 KHAFMO CCCN(c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000014191332 561737408 /nfs/dbraw/zinc/73/74/08/561737408.db2.gz XMTYQIRCWZBVAL-URLMMPGGSA-N 1 1 638.234 3.607 1 0 KHAFMO C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942840 561740357 /nfs/dbraw/zinc/74/03/57/561740357.db2.gz UYIDPTWMZFMUKR-VUCAYNMSSA-N 1 1 565.802 3.523 1 0 KHAFMO C[C@H]1OCC[C@H]1OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942842 561740267 /nfs/dbraw/zinc/74/02/67/561740267.db2.gz UYIDPTWMZFMUKR-GSFGBMHFSA-N 1 1 565.802 3.523 1 0 KHAFMO CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942858 561740352 /nfs/dbraw/zinc/74/03/52/561740352.db2.gz DYRQCFKJNPXYSL-QXWHLYFESA-N 1 1 605.842 3.692 1 0 KHAFMO CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942858 561740350 /nfs/dbraw/zinc/74/03/50/561740350.db2.gz DYRQCFKJNPXYSL-QXWHLYFESA-N 1 1 605.842 3.692 1 0 KHAFMO C[C@@H]1OCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942878 561740422 /nfs/dbraw/zinc/74/04/22/561740422.db2.gz WZRBCRPZAJNYRP-MOTZDZOKSA-N 1 1 529.722 3.658 1 0 KHAFMO C[C@H]1OCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942880 561740431 /nfs/dbraw/zinc/74/04/31/561740431.db2.gz WZRBCRPZAJNYRP-XUJNKOSYSA-N 1 1 529.722 3.658 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 ZINC000014942903 561740452 /nfs/dbraw/zinc/74/04/52/561740452.db2.gz FNTQXASNMYZUHY-HBEKHWMPSA-N 1 1 529.722 3.659 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1 ZINC000014942905 561740478 /nfs/dbraw/zinc/74/04/78/561740478.db2.gz FNTQXASNMYZUHY-YECVLQETSA-N 1 1 529.722 3.659 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCSC1 ZINC000014943037 561740653 /nfs/dbraw/zinc/74/06/53/561740653.db2.gz SFUSYMKBUIQBHK-FBQZJRKBSA-N 1 1 531.763 3.986 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCSC1 ZINC000014943038 561740572 /nfs/dbraw/zinc/74/05/72/561740572.db2.gz SFUSYMKBUIQBHK-GKLJYDMOSA-N 1 1 531.763 3.986 1 0 KHAFMO CCC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943048 561740610 /nfs/dbraw/zinc/74/06/10/561740610.db2.gz RHMWHSCIEZRMHZ-QXWHLYFESA-N 1 1 605.842 3.836 1 0 KHAFMO CCC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943048 561740608 /nfs/dbraw/zinc/74/06/08/561740608.db2.gz RHMWHSCIEZRMHZ-QXWHLYFESA-N 1 1 605.842 3.836 1 0 KHAFMO CCC[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943049 561740568 /nfs/dbraw/zinc/74/05/68/561740568.db2.gz RHMWHSCIEZRMHZ-XHTFZTLQSA-N 1 1 605.842 3.836 1 0 KHAFMO CCC[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943049 561740566 /nfs/dbraw/zinc/74/05/66/561740566.db2.gz RHMWHSCIEZRMHZ-XHTFZTLQSA-N 1 1 605.842 3.836 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@]2(C)OCC[C@@H]12 ZINC000014943078 561740806 /nfs/dbraw/zinc/74/08/06/561740806.db2.gz ZLEDGBHPLZJCAM-WWBVHEESSA-N 1 1 571.759 3.632 1 0 KHAFMO C[C@@H]1C[C@H]2[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[N@H+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)CO[C@H]2O1 ZINC000014943079 561740769 /nfs/dbraw/zinc/74/07/69/561740769.db2.gz GULNVBULBGZNHI-OFBJBTPISA-N 1 1 571.759 3.630 1 0 KHAFMO C[C@H]1C[C@H]2[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[N@H+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)CO[C@H]2O1 ZINC000014943080 561740822 /nfs/dbraw/zinc/74/08/22/561740822.db2.gz GULNVBULBGZNHI-YQGWVJSMSA-N 1 1 571.759 3.630 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 ZINC000014943136 561740863 /nfs/dbraw/zinc/74/08/63/561740863.db2.gz SMQRMVSFQHFPRT-QNRWOPMTSA-N 1 1 588.749 3.513 1 0 KHAFMO Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943143 561740888 /nfs/dbraw/zinc/74/08/88/561740888.db2.gz BHYLXIUVVRJDMP-QNRWOPMTSA-N 1 1 602.776 3.822 1 0 KHAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943149 561741046 /nfs/dbraw/zinc/74/10/46/561741046.db2.gz NKGCIFOXPWDDMH-BTURHGITSA-N 1 1 588.749 3.762 1 0 KHAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943363 561741426 /nfs/dbraw/zinc/74/14/26/561741426.db2.gz QLWYZVLNCWQIIO-JWXZHISWSA-N 1 1 589.733 3.815 1 0 KHAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000014943366 561741597 /nfs/dbraw/zinc/74/15/97/561741597.db2.gz DHGYJQQCTRWFTI-FKWFRFQNSA-N 1 1 580.770 3.795 1 0 KHAFMO CC(C)CC[N@@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@]1(C)C(=O)Nc2ccccc21 ZINC000014946408 561743672 /nfs/dbraw/zinc/74/36/72/561743672.db2.gz NUVAAKOSCBUFEQ-FEZKEUTHSA-N 1 1 551.684 3.662 1 0 KHAFMO CC(C)CC[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@]1(C)C(=O)Nc2ccccc21 ZINC000014946408 561743671 /nfs/dbraw/zinc/74/36/71/561743671.db2.gz NUVAAKOSCBUFEQ-FEZKEUTHSA-N 1 1 551.684 3.662 1 0 KHAFMO CC(C)CC[N@@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@]1(C)C(=O)Nc2ccccc21 ZINC000014946409 561743669 /nfs/dbraw/zinc/74/36/69/561743669.db2.gz NUVAAKOSCBUFEQ-LAPAADASSA-N 1 1 551.684 3.662 1 0 KHAFMO CC(C)CC[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@]1(C)C(=O)Nc2ccccc21 ZINC000014946409 561743668 /nfs/dbraw/zinc/74/36/68/561743668.db2.gz NUVAAKOSCBUFEQ-LAPAADASSA-N 1 1 551.684 3.662 1 0 KHAFMO CC1(C)CCC[N@H+](c2ccc([O-])c(C(=O)c3ccc(C(=O)N[C@@H]4CCC[NH2+]C[C@H]4NC(=O)c4ccncc4)cc3)c2)C1 ZINC000014948580 561744853 /nfs/dbraw/zinc/74/48/53/561744853.db2.gz AHKNXDNYSCVWET-VSGBNLITSA-N 1 1 569.706 3.925 1 0 in-vitro KHAFMO CC1(C)CCC[N@@H+](c2ccc([O-])c(C(=O)c3ccc(C(=O)N[C@@H]4CCC[NH2+]C[C@H]4NC(=O)c4ccncc4)cc3)c2)C1 ZINC000014948580 561744851 /nfs/dbraw/zinc/74/48/51/561744851.db2.gz AHKNXDNYSCVWET-VSGBNLITSA-N 1 1 569.706 3.925 1 0 in-vitro KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccccc2)nc1 ZINC000014949893 561745307 /nfs/dbraw/zinc/74/53/07/561745307.db2.gz LYDTZBUSUCDSRL-UHFFFAOYSA-N 1 1 515.574 3.525 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ncc(NC(=O)c2ccccc2)cn1 ZINC000014949896 561745283 /nfs/dbraw/zinc/74/52/83/561745283.db2.gz UNJOGPMWYNVEAP-UHFFFAOYSA-N 1 1 515.574 3.525 1 0 KHAFMO CC(C)N(CC[NH+]1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950047 561745479 /nfs/dbraw/zinc/74/54/79/561745479.db2.gz IWGAIPIVZUEJCP-LVXARBLLSA-N 1 1 557.116 3.897 1 0 KHAFMO NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000014950597 561745656 /nfs/dbraw/zinc/74/56/56/561745656.db2.gz SJYTVKFZNAQXEJ-JOCHJYFZSA-N 1 1 611.646 3.975 1 0 KHAFMO Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(-c3ccccc3C[N@H+]3CC[C@H](O)C3)cc1)c2=O ZINC000014951242 561745995 /nfs/dbraw/zinc/74/59/95/561745995.db2.gz MZTLUQWQCIFDEZ-QHCPKHFHSA-N 1 1 533.592 3.837 1 0 KHAFMO C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960453 561748351 /nfs/dbraw/zinc/74/83/51/561748351.db2.gz PTQRJCCBUDSHTQ-WHLCRQNOSA-N 1 1 541.645 3.716 1 0 in-vitro KHAFMO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2cnc[nH]2)C(C)C)ccc1OC ZINC000014967646 561750262 /nfs/dbraw/zinc/75/02/62/561750262.db2.gz SDDHPSMLTREVNN-KCQQGECQSA-N 1 1 532.726 3.502 1 0 KHAFMO COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969378 561750608 /nfs/dbraw/zinc/75/06/08/561750608.db2.gz OLQWKYOEBUBVRX-RUZDIDTESA-N 1 1 572.687 3.721 1 0 KHAFMO CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969393 561750566 /nfs/dbraw/zinc/75/05/66/561750566.db2.gz KXKURQAXASTNBV-RUZDIDTESA-N 1 1 551.647 3.677 1 0 KHAFMO COc1ccc(-n2nc(N)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969409 561750691 /nfs/dbraw/zinc/75/06/91/561750691.db2.gz IWJWKIXKIBPVSL-XMMPIXPASA-N 1 1 509.610 3.900 1 0 KHAFMO COc1ccc(-n2nc(Cn3ccnn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969434 561750731 /nfs/dbraw/zinc/75/07/31/561750731.db2.gz WEKJJVKHRKQPFJ-HHHXNRCGSA-N 1 1 575.673 3.957 1 0 KHAFMO COc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969439 561750724 /nfs/dbraw/zinc/75/07/24/561750724.db2.gz JFZUXBACKAQZEY-HHHXNRCGSA-N 1 1 575.673 3.957 1 0 KHAFMO COc1ccc(-n2nc(Cn3cncn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969443 561750719 /nfs/dbraw/zinc/75/07/19/561750719.db2.gz CDRVDOQSQDVYKT-HHHXNRCGSA-N 1 1 575.673 3.957 1 0 KHAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4C[N@H+]4CCC[C@H]4O)CC3)cc12 ZINC000014969560 561750721 /nfs/dbraw/zinc/75/07/21/561750721.db2.gz IYCGPDFYFRTXIV-RUZDIDTESA-N 1 1 569.588 3.928 1 0 KHAFMO CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000014974804 561752129 /nfs/dbraw/zinc/75/21/29/561752129.db2.gz YLZJPRNJPBCDDK-QGZVFWFLSA-N 1 1 512.010 3.516 1 0 KHAFMO CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000014974807 561752106 /nfs/dbraw/zinc/75/21/06/561752106.db2.gz YLZJPRNJPBCDDK-KRWDZBQOSA-N 1 1 512.010 3.516 1 0 KHAFMO CCCC[NH+]1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1 ZINC000014978232 561752652 /nfs/dbraw/zinc/75/26/52/561752652.db2.gz LFSMDCYQBOCYQC-UHFFFAOYSA-N 1 1 503.694 3.608 1 0 KHAFMO CCCCC[NH+]1CCN(S(=O)(=O)NCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)CC1 ZINC000014978235 561752687 /nfs/dbraw/zinc/75/26/87/561752687.db2.gz XOMUQLAAMXZNKY-UHFFFAOYSA-N 1 1 517.721 3.999 1 0 KHAFMO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014978251 561752674 /nfs/dbraw/zinc/75/26/74/561752674.db2.gz LCDMIYWQGJMRDQ-RUZDIDTESA-N 1 1 531.682 3.993 1 0 KHAFMO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014978258 561752680 /nfs/dbraw/zinc/75/26/80/561752680.db2.gz LCDMIYWQGJMRDQ-VWLOTQADSA-N 1 1 531.682 3.993 1 0 KHAFMO Cc1ccc(NS(=O)(=O)c2cccc3ccccc32)c(O)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000016051814 561753731 /nfs/dbraw/zinc/75/37/31/561753731.db2.gz KWJVADNYZMUTJY-UHFFFAOYSA-N 1 1 502.596 3.798 1 0 in-vitro KHAFMO COc1cc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000016958654 561754127 /nfs/dbraw/zinc/75/41/27/561754127.db2.gz XTIAFHJEZZRZLA-NYRBYKDPSA-N 1 1 527.643 3.540 1 0 KHAFMO COc1cc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000016958654 561754124 /nfs/dbraw/zinc/75/41/24/561754124.db2.gz XTIAFHJEZZRZLA-NYRBYKDPSA-N 1 1 527.643 3.540 1 0 KHAFMO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000020576169 561758663 /nfs/dbraw/zinc/75/86/63/561758663.db2.gz ANXURYFZNVOZOQ-UHFFFAOYSA-N 1 1 538.737 3.971 1 0 KHAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)CCN3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022448685 561759207 /nfs/dbraw/zinc/75/92/07/561759207.db2.gz NUESWDDVLSAUMU-YWZSZGKRSA-N 1 1 552.668 3.964 1 0 KHAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCN3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022448685 561759206 /nfs/dbraw/zinc/75/92/06/561759206.db2.gz NUESWDDVLSAUMU-YWZSZGKRSA-N 1 1 552.668 3.964 1 0 KHAFMO O[C@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022449007 561759233 /nfs/dbraw/zinc/75/92/33/561759233.db2.gz DDHVXIXIAVLSIM-IZZNHLLZSA-N 1 1 564.637 3.951 1 0 KHAFMO COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CN3CC[NH+](C)CC3)o2)ccc1-c1cnco1 ZINC000022925764 561759749 /nfs/dbraw/zinc/75/97/49/561759749.db2.gz KFYZDFDWDAHEME-UHFFFAOYSA-N 1 1 502.575 3.959 1 0 KHAFMO CC(=O)NC1CC[NH+](C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927871 561760038 /nfs/dbraw/zinc/76/00/38/561760038.db2.gz OPIVNHLWYYGXFZ-HHHXNRCGSA-N 1 1 521.533 3.938 1 0 KHAFMO CCNC(=O)Nc1nc2cc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1 ZINC000022933806 561760559 /nfs/dbraw/zinc/76/05/59/561760559.db2.gz KZMWAICISUWYLE-UHFFFAOYSA-N 1 1 507.639 3.505 1 0 KHAFMO COc1cc(OC)cc(-c2cc3cnc(NCCC[NH+]4CCN(C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1 ZINC000022933829 561760499 /nfs/dbraw/zinc/76/04/99/561760499.db2.gz VYWXBPWMVHMUQW-UHFFFAOYSA-N 1 1 536.681 3.678 1 0 KHAFMO Cn1cnc2c1ncnc2SC[C@@H](O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935785 561760663 /nfs/dbraw/zinc/76/06/63/561760663.db2.gz SDZJCFAZEVSVNM-QFIPXVFZSA-N 1 1 510.614 3.502 1 0 KHAFMO Cn1cnc2c1ncnc2SC[C@H](O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022935788 561760591 /nfs/dbraw/zinc/76/05/91/561760591.db2.gz SDZJCFAZEVSVNM-JOCHJYFZSA-N 1 1 510.614 3.502 1 0 KHAFMO O[C@H](Cn1cnc2c1ncnc2-c1ccncc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937631 561760946 /nfs/dbraw/zinc/76/09/46/561760946.db2.gz BANZPIDUCBWBKP-SANMLTNESA-N 1 1 505.626 3.656 1 0 KHAFMO O[C@H](Cn1cnc(-c2ccncc2)c2ncnc1-2)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937635 561760806 /nfs/dbraw/zinc/76/08/06/561760806.db2.gz ACGLHSQAEOOPAB-SANMLTNESA-N 1 1 505.626 3.608 1 0 KHAFMO Cc1cccc(O)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941910 561761257 /nfs/dbraw/zinc/76/12/57/561761257.db2.gz DCQTZTFWQIEXHS-VXKWHMMOSA-N 1 1 513.704 3.866 1 0 KHAFMO Cc1cccc(O)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941910 561761256 /nfs/dbraw/zinc/76/12/56/561761256.db2.gz DCQTZTFWQIEXHS-VXKWHMMOSA-N 1 1 513.704 3.866 1 0 KHAFMO O[C@@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257029 561761661 /nfs/dbraw/zinc/76/16/61/561761661.db2.gz DDHVXIXIAVLSIM-FTJBHMTQSA-N 1 1 564.637 3.951 1 0 KHAFMO O[C@H](COc1ncnc2c1ncn2[C@@H]1CCCCO1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257033 561761578 /nfs/dbraw/zinc/76/15/78/561761578.db2.gz DDHVXIXIAVLSIM-UIOOFZCWSA-N 1 1 564.637 3.951 1 0 KHAFMO O[C@@H](COc1ncnc2c1ncn2[C@H]1CCCCO1)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257036 561761677 /nfs/dbraw/zinc/76/16/77/561761677.db2.gz DDHVXIXIAVLSIM-CLJLJLNGSA-N 1 1 564.637 3.951 1 0 KHAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](C3CCCCCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357725 561761537 /nfs/dbraw/zinc/76/15/37/561761537.db2.gz QFEKPGPVGJUOKF-OXMBMXHISA-N 1 1 648.911 3.520 1 0 KHAFMO CN1CC[NH+](CCOc2cc3ncnc(Nc4c(Cl)ccc5c4OCCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000023358079 561761971 /nfs/dbraw/zinc/76/19/71/561761971.db2.gz IOXLERDREGOQSP-UHFFFAOYSA-N 1 1 556.063 3.982 1 0 KHAFMO COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148709 561767448 /nfs/dbraw/zinc/76/74/48/561767448.db2.gz IEVVYPISJHIIEY-OFSOJUDTSA-N 1 1 547.696 3.736 1 0 KHAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148718 561767423 /nfs/dbraw/zinc/76/74/23/561767423.db2.gz IEVVYPISJHIIEY-POURPWNDSA-N 1 1 547.696 3.736 1 0 KHAFMO COc1ccc(CNC(=O)[C@H](c2ccc(OC)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148721 561767434 /nfs/dbraw/zinc/76/74/34/561767434.db2.gz IEVVYPISJHIIEY-FIBWVYCGSA-N 1 1 547.696 3.736 1 0 KHAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(OC)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026148727 561767462 /nfs/dbraw/zinc/76/74/62/561767462.db2.gz IEVVYPISJHIIEY-BHBYDHKZSA-N 1 1 547.696 3.736 1 0 KHAFMO COc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150310 561767558 /nfs/dbraw/zinc/76/75/58/561767558.db2.gz MAHIHXILBQDWFG-SHQCIBLASA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150321 561767565 /nfs/dbraw/zinc/76/75/65/561767565.db2.gz MAHIHXILBQDWFG-SQHAQQRYSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccccc1C(=O)NC[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150329 561767543 /nfs/dbraw/zinc/76/75/43/561767543.db2.gz MAHIHXILBQDWFG-RPLLCQBOSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000026150337 561767537 /nfs/dbraw/zinc/76/75/37/561767537.db2.gz MAHIHXILBQDWFG-IGKIAQTJSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159397 561768391 /nfs/dbraw/zinc/76/83/91/561768391.db2.gz MKEWYBFIYZBBHN-LEAFIULHSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159407 561768328 /nfs/dbraw/zinc/76/83/28/561768328.db2.gz MKEWYBFIYZBBHN-NAKRPHOHSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159415 561768387 /nfs/dbraw/zinc/76/83/87/561768387.db2.gz MKEWYBFIYZBBHN-LBNVMWSVSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000026159424 561768355 /nfs/dbraw/zinc/76/83/55/561768355.db2.gz MKEWYBFIYZBBHN-LSYYVWMOSA-N 1 1 524.061 3.877 1 0 KHAFMO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccccc2)N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165381 561769087 /nfs/dbraw/zinc/76/90/87/561769087.db2.gz PMSAMVJYHNSFSW-SHQCIBLASA-N 1 1 634.593 3.543 1 0 KHAFMO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165386 561769107 /nfs/dbraw/zinc/76/91/07/561769107.db2.gz PMSAMVJYHNSFSW-SQHAQQRYSA-N 1 1 634.593 3.543 1 0 KHAFMO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccccc2)N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165391 561769096 /nfs/dbraw/zinc/76/90/96/561769096.db2.gz PMSAMVJYHNSFSW-RPLLCQBOSA-N 1 1 634.593 3.543 1 0 KHAFMO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026165396 561769094 /nfs/dbraw/zinc/76/90/94/561769094.db2.gz PMSAMVJYHNSFSW-IGKIAQTJSA-N 1 1 634.593 3.543 1 0 KHAFMO COc1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165886 561769142 /nfs/dbraw/zinc/76/91/42/561769142.db2.gz HMLQTQMYJXPNPS-PXJZQJOASA-N 1 1 535.660 3.866 1 0 KHAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165892 561769213 /nfs/dbraw/zinc/76/92/13/561769213.db2.gz HMLQTQMYJXPNPS-XRKRLSELSA-N 1 1 535.660 3.866 1 0 KHAFMO COc1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165897 561769202 /nfs/dbraw/zinc/76/92/02/561769202.db2.gz HMLQTQMYJXPNPS-YTMVLYRLSA-N 1 1 535.660 3.866 1 0 KHAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165902 561769217 /nfs/dbraw/zinc/76/92/17/561769217.db2.gz HMLQTQMYJXPNPS-LMSSTIIKSA-N 1 1 535.660 3.866 1 0 KHAFMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165912 561769181 /nfs/dbraw/zinc/76/91/81/561769181.db2.gz LZLFVPXCZHSLNT-WUFINQPMSA-N 1 1 505.634 3.858 1 0 KHAFMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165917 561769156 /nfs/dbraw/zinc/76/91/56/561769156.db2.gz LZLFVPXCZHSLNT-VSGBNLITSA-N 1 1 505.634 3.858 1 0 KHAFMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165923 561769242 /nfs/dbraw/zinc/76/92/42/561769242.db2.gz LZLFVPXCZHSLNT-NSOVKSMOSA-N 1 1 505.634 3.858 1 0 KHAFMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000026165928 561769164 /nfs/dbraw/zinc/76/91/64/561769164.db2.gz LZLFVPXCZHSLNT-IZLXSDGUSA-N 1 1 505.634 3.858 1 0 KHAFMO CC1CCN(C(=O)[C@H](CCCNc2ccc(N)c[nH+]2)NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026177416 561771109 /nfs/dbraw/zinc/77/11/09/561771109.db2.gz TWQMJZMVWRLJPX-DEOSSOPVSA-N 1 1 538.718 3.681 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000026177853 561771197 /nfs/dbraw/zinc/77/11/97/561771197.db2.gz RVYGXULVCKOQHN-NOMPHJLISA-N 1 1 688.866 3.956 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000026177859 561771154 /nfs/dbraw/zinc/77/11/54/561771154.db2.gz RVYGXULVCKOQHN-DOKLYGBTSA-N 1 1 688.866 3.956 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026179135 561771302 /nfs/dbraw/zinc/77/13/02/561771302.db2.gz REMWHFWKWGUPSX-AEKIIXOMSA-N 1 1 708.856 3.967 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026179144 561771298 /nfs/dbraw/zinc/77/12/98/561771298.db2.gz REMWHFWKWGUPSX-TVSIWPERSA-N 1 1 708.856 3.967 1 0 KHAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026179562 561771410 /nfs/dbraw/zinc/77/14/10/561771410.db2.gz QLWYZVLNCWQIIO-SIMGMAISSA-N 1 1 589.733 3.815 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](CO)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026180522 561771638 /nfs/dbraw/zinc/77/16/38/561771638.db2.gz NNLTXVXMGVCNIY-AMSOURPBSA-N 1 1 563.695 3.500 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181295 561771834 /nfs/dbraw/zinc/77/18/34/561771834.db2.gz AJSYTPPNIVWKJN-OCFVUHCMSA-N 1 1 672.827 3.984 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181300 561771837 /nfs/dbraw/zinc/77/18/37/561771837.db2.gz AJSYTPPNIVWKJN-CUEJDAIESA-N 1 1 672.827 3.984 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)cc1 ZINC000026181373 561771784 /nfs/dbraw/zinc/77/17/84/561771784.db2.gz YMNDBCNMYBNUHW-FIWFIFAZSA-N 1 1 736.910 3.886 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)cc1 ZINC000026181378 561771841 /nfs/dbraw/zinc/77/18/41/561771841.db2.gz YMNDBCNMYBNUHW-SRDSEBJDSA-N 1 1 736.910 3.886 1 0 KHAFMO COc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026188372 561773087 /nfs/dbraw/zinc/77/30/87/561773087.db2.gz OIWADSQAMGYSED-UHFFFAOYSA-N 1 1 601.579 3.972 1 0 KHAFMO CCCOc1ccc(S(=O)(=O)N2CC[NH+](CCP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026189018 561773225 /nfs/dbraw/zinc/77/32/25/561773225.db2.gz SLJAWXMCNAZTFH-UHFFFAOYSA-N 1 1 638.728 3.637 1 0 KHAFMO CS(=O)(=O)N(c1ccc(CC[N@@H+](CCOc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000026247838 561773641 /nfs/dbraw/zinc/77/36/41/561773641.db2.gz SOQZWGMLEGPIKG-UHFFFAOYSA-N 1 1 502.658 3.536 1 0 KHAFMO CS(=O)(=O)Nc1ccc(CC[N@@H+](CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000026253873 561774591 /nfs/dbraw/zinc/77/45/91/561774591.db2.gz ANHBBRKNCYZBJB-UHFFFAOYSA-N 1 1 517.673 3.553 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000026269099 561776802 /nfs/dbraw/zinc/77/68/02/561776802.db2.gz CBIKMYNJCCYRFA-DEOSSOPVSA-N 1 1 577.081 3.841 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000026269104 561776872 /nfs/dbraw/zinc/77/68/72/561776872.db2.gz CBIKMYNJCCYRFA-XMMPIXPASA-N 1 1 577.081 3.841 1 0 KHAFMO COc1ccc(C[N@@H+](CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)Cc2ccccc2)cc1 ZINC000026269398 561776807 /nfs/dbraw/zinc/77/68/07/561776807.db2.gz JTZODGIGUSUCDX-UHFFFAOYSA-N 1 1 502.658 3.666 1 0 KHAFMO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+]3CCN(C)CC3)c2)cc1 ZINC000026271134 561777352 /nfs/dbraw/zinc/77/73/52/561777352.db2.gz RCWLWRDNZZXMJM-PGUFJCEWSA-N 1 1 632.710 3.856 1 0 KHAFMO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+]3CCN(C)CC3)c2)cc1 ZINC000026271144 561777346 /nfs/dbraw/zinc/77/73/46/561777346.db2.gz RCWLWRDNZZXMJM-DHUJRADRSA-N 1 1 632.710 3.856 1 0 KHAFMO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+]3CCOCC3)c2)cc1 ZINC000026274385 561777871 /nfs/dbraw/zinc/77/78/71/561777871.db2.gz INTTYORIUAYXMN-UUWRZZSWSA-N 1 1 619.667 3.941 1 0 KHAFMO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+]3CCOCC3)c2)cc1 ZINC000026274392 561777879 /nfs/dbraw/zinc/77/78/79/561777879.db2.gz INTTYORIUAYXMN-UMSFTDKQSA-N 1 1 619.667 3.941 1 0 KHAFMO CO[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000026278665 561778702 /nfs/dbraw/zinc/77/87/02/561778702.db2.gz FSAKTEBFSIPADS-VWLOTQADSA-N 1 1 574.653 3.981 1 0 KHAFMO CO[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000026278671 561778754 /nfs/dbraw/zinc/77/87/54/561778754.db2.gz FSAKTEBFSIPADS-RUZDIDTESA-N 1 1 574.653 3.981 1 0 KHAFMO C[NH+]1CCN(C(=O)[C@@H](CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000026283175 561779464 /nfs/dbraw/zinc/77/94/64/561779464.db2.gz KMPGACBMQUFFOJ-WSHBGFIESA-N 1 1 549.691 3.640 1 0 KHAFMO C[NH+]1CCN(C(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 ZINC000026283182 561779473 /nfs/dbraw/zinc/77/94/73/561779473.db2.gz KMPGACBMQUFFOJ-KHGZIGHDSA-N 1 1 549.691 3.640 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000026283556 561779437 /nfs/dbraw/zinc/77/94/37/561779437.db2.gz MCCWDRVXIBWEIB-DEOSSOPVSA-N 1 1 577.081 3.841 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 ZINC000026283562 561779430 /nfs/dbraw/zinc/77/94/30/561779430.db2.gz MCCWDRVXIBWEIB-XMMPIXPASA-N 1 1 577.081 3.841 1 0 KHAFMO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+]3CCN(C)CC3)c2)cc1 ZINC000026284167 561779544 /nfs/dbraw/zinc/77/95/44/561779544.db2.gz NWLVAXXEZKFLHY-MGBGTMOVSA-N 1 1 572.658 3.839 1 0 KHAFMO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+]3CCN(C)CC3)c2)cc1 ZINC000026284175 561779588 /nfs/dbraw/zinc/77/95/88/561779588.db2.gz NWLVAXXEZKFLHY-XIFFEERXSA-N 1 1 572.658 3.839 1 0 KHAFMO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+]3CCOCC3)c2)cc1 ZINC000026284181 561779612 /nfs/dbraw/zinc/77/96/12/561779612.db2.gz OEMNPEMEFUYQJO-JGCGQSQUSA-N 1 1 559.615 3.923 1 0 KHAFMO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+]3CCOCC3)c2)cc1 ZINC000026284189 561779538 /nfs/dbraw/zinc/77/95/38/561779538.db2.gz OEMNPEMEFUYQJO-YTTGMZPUSA-N 1 1 559.615 3.923 1 0 KHAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(O)CC[N@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026286101 561779821 /nfs/dbraw/zinc/77/98/21/561779821.db2.gz NXJBGBMSUYPTGF-IREVDNFNSA-N 1 1 585.745 3.945 1 0 KHAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026286281 561779796 /nfs/dbraw/zinc/77/97/96/561779796.db2.gz OOFHOBZEPRIFQH-GKPXSHGUSA-N 1 1 610.840 3.740 1 0 KHAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026286287 561779842 /nfs/dbraw/zinc/77/98/42/561779842.db2.gz OOFHOBZEPRIFQH-SDZRMFDYSA-N 1 1 610.840 3.740 1 0 KHAFMO O=S(=O)(c1ccccc1)N1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026292646 561780769 /nfs/dbraw/zinc/78/07/69/561780769.db2.gz BLQXIDSIUQQUFD-VWLOTQADSA-N 1 1 524.514 3.732 1 0 KHAFMO O=S(=O)(c1ccccc1)N1CC[C@@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026292651 561780822 /nfs/dbraw/zinc/78/08/22/561780822.db2.gz BLQXIDSIUQQUFD-RUZDIDTESA-N 1 1 524.514 3.732 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295390 561781283 /nfs/dbraw/zinc/78/12/83/561781283.db2.gz BWWVOUZOSLUBHW-KSZBKLKBSA-N 1 1 741.930 3.859 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295393 561781276 /nfs/dbraw/zinc/78/12/76/561781276.db2.gz BWWVOUZOSLUBHW-IDIQCCGYSA-N 1 1 741.930 3.859 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295398 561781289 /nfs/dbraw/zinc/78/12/89/561781289.db2.gz BWWVOUZOSLUBHW-KYKZOAEVSA-N 1 1 741.930 3.859 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026295401 561781307 /nfs/dbraw/zinc/78/13/07/561781307.db2.gz BWWVOUZOSLUBHW-ORKPAKSASA-N 1 1 741.930 3.859 1 0 KHAFMO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296682 561781570 /nfs/dbraw/zinc/78/15/70/561781570.db2.gz MPSUCFFGDLOVOA-RNWCONEOSA-N 1 1 612.856 3.964 1 0 KHAFMO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026296687 561781559 /nfs/dbraw/zinc/78/15/59/561781559.db2.gz MPSUCFFGDLOVOA-PXDORXFNSA-N 1 1 612.856 3.964 1 0 KHAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377342 561782478 /nfs/dbraw/zinc/78/24/78/561782478.db2.gz AUDLXWKLEAZHMP-RPLLCQBOSA-N 1 1 502.565 3.863 1 0 KHAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377344 561782467 /nfs/dbraw/zinc/78/24/67/561782467.db2.gz AUDLXWKLEAZHMP-SHQCIBLASA-N 1 1 502.565 3.863 1 0 KHAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377346 561782449 /nfs/dbraw/zinc/78/24/49/561782449.db2.gz AUDLXWKLEAZHMP-IGKIAQTJSA-N 1 1 502.565 3.863 1 0 KHAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000026377348 561782463 /nfs/dbraw/zinc/78/24/63/561782463.db2.gz AUDLXWKLEAZHMP-SQHAQQRYSA-N 1 1 502.565 3.863 1 0 KHAFMO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000026378055 561782695 /nfs/dbraw/zinc/78/26/95/561782695.db2.gz LRKWZGHUGLGYKD-WOJGMQOQSA-N 1 1 567.733 3.663 1 0 KHAFMO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000026378055 561782694 /nfs/dbraw/zinc/78/26/94/561782694.db2.gz LRKWZGHUGLGYKD-WOJGMQOQSA-N 1 1 567.733 3.663 1 0 KHAFMO CCc1cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc(CC)n1 ZINC000026378072 561782704 /nfs/dbraw/zinc/78/27/04/561782704.db2.gz DKDIFFWERNVBSM-VHFAWWBMSA-N 1 1 699.959 3.517 1 0 KHAFMO CCc1cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc(CC)n1 ZINC000026378072 561782703 /nfs/dbraw/zinc/78/27/03/561782703.db2.gz DKDIFFWERNVBSM-VHFAWWBMSA-N 1 1 699.959 3.517 1 0 KHAFMO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N2CCC[N@@H+](CCc3ccccc3)CC2)cc1 ZINC000026380044 561783213 /nfs/dbraw/zinc/78/32/13/561783213.db2.gz DGMFWKSETUWYHV-WOJGMQOQSA-N 1 1 581.760 3.705 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000026382016 561783393 /nfs/dbraw/zinc/78/33/93/561783393.db2.gz WGUDWHYBVHSPSU-UEMRSFKDSA-N 1 1 731.960 3.652 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000026382016 561783390 /nfs/dbraw/zinc/78/33/90/561783390.db2.gz WGUDWHYBVHSPSU-UEMRSFKDSA-N 1 1 731.960 3.652 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[C@H]1CCOC1 ZINC000026383958 561783813 /nfs/dbraw/zinc/78/38/13/561783813.db2.gz MGUCDSPLDUZWFB-XXPPFYJHSA-N 1 1 684.882 3.649 1 0 KHAFMO Cc1cc(C)cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)c1 ZINC000026385234 561784297 /nfs/dbraw/zinc/78/42/97/561784297.db2.gz PEURDYRTFJFAOA-WWPLQOFTSA-N 1 1 670.917 3.614 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000026389086 561785316 /nfs/dbraw/zinc/78/53/16/561785316.db2.gz WGUDWHYBVHSPSU-DRNYJLRZSA-N 1 1 731.960 3.652 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000026389086 561785315 /nfs/dbraw/zinc/78/53/15/561785315.db2.gz WGUDWHYBVHSPSU-DRNYJLRZSA-N 1 1 731.960 3.652 1 0 KHAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 ZINC000026392506 561786154 /nfs/dbraw/zinc/78/61/54/561786154.db2.gz DPNMTXVKNLQAMD-UHFFFAOYSA-N 1 1 592.780 3.644 1 0 KHAFMO CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000026480159 561791574 /nfs/dbraw/zinc/79/15/74/561791574.db2.gz WMTSGCIMPPZQLI-LZVMDTAVSA-N 1 1 723.793 3.948 1 0 KHAFMO CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC2CC2)C1 ZINC000026483531 561792188 /nfs/dbraw/zinc/79/21/88/561792188.db2.gz HPNJYSSQMDYJFF-FNJVQNSVSA-N 1 1 695.861 3.796 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487637 561792814 /nfs/dbraw/zinc/79/28/14/561792814.db2.gz NIQZVJVTQIZVKW-RAHFVTAASA-N 1 1 653.824 3.613 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487637 561792812 /nfs/dbraw/zinc/79/28/12/561792812.db2.gz NIQZVJVTQIZVKW-RAHFVTAASA-N 1 1 653.824 3.613 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)c2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487643 561792774 /nfs/dbraw/zinc/79/27/74/561792774.db2.gz ABIINSUCXHLJLC-TWTDXSNUSA-N 1 1 641.857 3.602 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026487643 561792772 /nfs/dbraw/zinc/79/27/72/561792772.db2.gz ABIINSUCXHLJLC-TWTDXSNUSA-N 1 1 641.857 3.602 1 0 KHAFMO CC(C)[C@H](NC(=O)OCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC(C)(C)C ZINC000026487650 561792719 /nfs/dbraw/zinc/79/27/19/561792719.db2.gz PSFHAHCNWBNLER-IHZBLBIESA-N 1 1 678.900 3.583 1 0 KHAFMO CC(C)[C@H](NC(=O)OCc1cncs1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC(C)(C)C ZINC000026487650 561792717 /nfs/dbraw/zinc/79/27/17/561792717.db2.gz PSFHAHCNWBNLER-IHZBLBIESA-N 1 1 678.900 3.583 1 0 KHAFMO CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NC2CC2)C1 ZINC000026491920 561793507 /nfs/dbraw/zinc/79/35/07/561793507.db2.gz YIWOEKZROGXYDW-FPOBZOMASA-N 1 1 681.834 3.548 1 0 KHAFMO CCOC(=O)[C@H]1C[N@@H+](CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 ZINC000026505762 561796595 /nfs/dbraw/zinc/79/65/95/561796595.db2.gz IPBOROXXRHATRV-IRLDBZIGSA-N 1 1 505.036 3.934 1 0 KHAFMO Cc1ccccc1[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576400 561800254 /nfs/dbraw/zinc/80/02/54/561800254.db2.gz GGIWZHREYMKKRP-NAKRPHOHSA-N 1 1 507.642 3.694 1 0 KHAFMO Cc1ccccc1[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576401 561800236 /nfs/dbraw/zinc/80/02/36/561800236.db2.gz GGIWZHREYMKKRP-LEAFIULHSA-N 1 1 507.642 3.694 1 0 KHAFMO Cc1ccccc1[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576402 561800219 /nfs/dbraw/zinc/80/02/19/561800219.db2.gz GGIWZHREYMKKRP-LSYYVWMOSA-N 1 1 507.642 3.694 1 0 KHAFMO Cc1ccccc1[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC1 ZINC000026576403 561800181 /nfs/dbraw/zinc/80/01/81/561800181.db2.gz GGIWZHREYMKKRP-LBNVMWSVSA-N 1 1 507.642 3.694 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026576665 561800444 /nfs/dbraw/zinc/80/04/44/561800444.db2.gz FUSUHIRVQYAQEE-UHFFFAOYSA-N 1 1 561.104 3.750 1 0 KHAFMO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CCC[N@H+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026577273 561801232 /nfs/dbraw/zinc/80/12/32/561801232.db2.gz UYVLBQUNYPQHEC-SANMLTNESA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026577273 561801230 /nfs/dbraw/zinc/80/12/30/561801230.db2.gz UYVLBQUNYPQHEC-SANMLTNESA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)C[N@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577273 561801228 /nfs/dbraw/zinc/80/12/28/561801228.db2.gz UYVLBQUNYPQHEC-SANMLTNESA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CCC[N@H+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026577274 561801258 /nfs/dbraw/zinc/80/12/58/561801258.db2.gz UYVLBQUNYPQHEC-AREMUKBSSA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026577274 561801255 /nfs/dbraw/zinc/80/12/55/561801255.db2.gz UYVLBQUNYPQHEC-AREMUKBSSA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)C[N@H+]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577274 561801253 /nfs/dbraw/zinc/80/12/53/561801253.db2.gz UYVLBQUNYPQHEC-AREMUKBSSA-N 1 1 507.642 3.775 1 0 KHAFMO O[C@H](Cn1cnc2c1ncnc2N1CCCCC1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026578083 561802572 /nfs/dbraw/zinc/80/25/72/561802572.db2.gz YBQPBSZAYGRLLR-SANMLTNESA-N 1 1 511.674 3.585 1 0 KHAFMO O[C@@H](Cn1cnc2c1ncnc2N1CCCCC1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026578084 561802641 /nfs/dbraw/zinc/80/26/41/561802641.db2.gz YBQPBSZAYGRLLR-AREMUKBSSA-N 1 1 511.674 3.585 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026578255 561802959 /nfs/dbraw/zinc/80/29/59/561802959.db2.gz DQDVLSZRPPRPHE-UHFFFAOYSA-N 1 1 575.131 3.997 1 0 KHAFMO CCOC(=O)N1CCC([NH+]2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026643270 561807128 /nfs/dbraw/zinc/80/71/28/561807128.db2.gz OJESMLMMYGXRIN-UHFFFAOYSA-N 1 1 528.627 3.764 1 0 KHAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](C3CC(c4ccccc4)C3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026649254 561808118 /nfs/dbraw/zinc/80/81/18/561808118.db2.gz CZFIMHWLICRIED-AAYATXMLSA-N 1 1 682.928 3.744 1 0 KHAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC(C(=O)c3ccc([S@@](=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026652508 561808594 /nfs/dbraw/zinc/80/85/94/561808594.db2.gz NXYPHFVZCIXLQW-BHVANESWSA-N 1 1 546.711 3.681 1 0 KHAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC(C(=O)c3ccc([S@](=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026652513 561808622 /nfs/dbraw/zinc/80/86/22/561808622.db2.gz NXYPHFVZCIXLQW-PSXMRANNSA-N 1 1 546.711 3.681 1 0 KHAFMO COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000026652703 561808742 /nfs/dbraw/zinc/80/87/42/561808742.db2.gz WQBRLHICBUGYPB-UHFFFAOYSA-N 1 1 586.711 3.655 1 0 KHAFMO C[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)Nc2ccccc2)CCc2ccccc2)CC1 ZINC000026661747 561810327 /nfs/dbraw/zinc/81/03/27/561810327.db2.gz ODKUVNCQZQIMTI-FPHSVDBKSA-N 1 1 589.762 3.628 1 0 KHAFMO C[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)Cc2ccccc2)CCc2ccccc2)CC1 ZINC000026662169 561810496 /nfs/dbraw/zinc/81/04/96/561810496.db2.gz VZIZLWFIQBNKFA-CRYDKGKDSA-N 1 1 588.774 3.801 1 0 KHAFMO C[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)Oc2ccccc2)CCc2ccccc2)CC1 ZINC000026662764 561810597 /nfs/dbraw/zinc/81/05/97/561810597.db2.gz ADXUPHBVXRTDBI-FPHSVDBKSA-N 1 1 590.746 3.595 1 0 KHAFMO [NH3+]C1CCN(C(=O)C[C@@H](Cc2cccc3ccccc32)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1 ZINC000026675157 561813775 /nfs/dbraw/zinc/81/37/75/561813775.db2.gz BEJMWNCMHLRCBU-KHXYGZCGSA-N 1 1 751.973 3.994 1 0 KHAFMO COc1ccccc1OCC[N@@H+](CCC(=O)N1CCCSc2c1cnn(C)c2=O)Cc1ccccc1 ZINC000026717065 561814361 /nfs/dbraw/zinc/81/43/61/561814361.db2.gz NKCIOGYKRVQDGA-UHFFFAOYSA-N 1 1 508.644 3.589 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000026718236 561814718 /nfs/dbraw/zinc/81/47/18/561814718.db2.gz TZQJIMJMAVFFMJ-ZLESDFJESA-N 1 1 638.850 3.712 1 0 KHAFMO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@H+]4CCN[C@@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727513 561816136 /nfs/dbraw/zinc/81/61/36/561816136.db2.gz UHPCIDVYABYVTQ-AFHPYJQDSA-N 1 1 661.752 3.878 1 0 KHAFMO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@@H+]4CCN[C@@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727513 561816133 /nfs/dbraw/zinc/81/61/33/561816133.db2.gz UHPCIDVYABYVTQ-AFHPYJQDSA-N 1 1 661.752 3.878 1 0 KHAFMO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@H+]4CCN[C@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727521 561816144 /nfs/dbraw/zinc/81/61/44/561816144.db2.gz UHPCIDVYABYVTQ-LPGLEXDGSA-N 1 1 661.752 3.878 1 0 KHAFMO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@@H+]4CCN[C@H](c5ccccc5)C4)cc(=O)oc3c2C)OC1(C)C ZINC000026727521 561816142 /nfs/dbraw/zinc/81/61/42/561816142.db2.gz UHPCIDVYABYVTQ-LPGLEXDGSA-N 1 1 661.752 3.878 1 0 KHAFMO O=Cc1cc2ccc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]3O7)cc2cc1C=O ZINC000026732269 561816735 /nfs/dbraw/zinc/81/67/35/561816735.db2.gz AXHDHZZPAIQXPS-ZLTFECBESA-N 1 1 552.627 3.533 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O ZINC000026733352 561816975 /nfs/dbraw/zinc/81/69/75/561816975.db2.gz SLKMGYJMZOWGPU-NUHKNMDZSA-N 1 1 676.921 3.719 1 0 KHAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026735074 561817300 /nfs/dbraw/zinc/81/73/00/561817300.db2.gz UOYZVCHWBOUTTL-JBGOKIPCSA-N 1 1 539.742 3.513 1 0 KHAFMO COc1ccc(C[N@@H+](CCOc2ccc(NS(C)(=O)=O)cc2)CCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000026745908 561818909 /nfs/dbraw/zinc/81/89/09/561818909.db2.gz KHRJMDKBZLDCBK-UHFFFAOYSA-N 1 1 547.699 3.562 1 0 KHAFMO CCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)C[NH+]2CCCCC2)C(C)C)CCCC1 ZINC000026842270 561825991 /nfs/dbraw/zinc/82/59/91/561825991.db2.gz HBNKELZFMDOHRA-AHKZPQOWSA-N 1 1 589.799 3.962 1 0 KHAFMO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCNCC2)c(C(C)C)c1 ZINC000026849500 561827044 /nfs/dbraw/zinc/82/70/44/561827044.db2.gz KFBQPRUUOPSVGX-SANMLTNESA-N 1 1 541.762 3.662 1 0 KHAFMO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCNCC2)c(C(C)C)c1 ZINC000026849507 561827019 /nfs/dbraw/zinc/82/70/19/561827019.db2.gz KFBQPRUUOPSVGX-AREMUKBSSA-N 1 1 541.762 3.662 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026935394 561827396 /nfs/dbraw/zinc/82/73/96/561827396.db2.gz OALGBSYWOIFNGM-WBNMOLNCSA-N 1 1 532.814 3.938 1 0 KHAFMO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960230 561829543 /nfs/dbraw/zinc/82/95/43/561829543.db2.gz JTQMQGCPOMWXGF-KVBYWJEESA-N 1 1 746.946 3.812 1 0 KHAFMO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960230 561829540 /nfs/dbraw/zinc/82/95/40/561829540.db2.gz JTQMQGCPOMWXGF-KVBYWJEESA-N 1 1 746.946 3.812 1 0 KHAFMO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960243 561829571 /nfs/dbraw/zinc/82/95/71/561829571.db2.gz JTQMQGCPOMWXGF-PDHQKIGBSA-N 1 1 746.946 3.812 1 0 KHAFMO CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@H+](CCOCCc2ccccc2)CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000026960243 561829570 /nfs/dbraw/zinc/82/95/70/561829570.db2.gz JTQMQGCPOMWXGF-PDHQKIGBSA-N 1 1 746.946 3.812 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026978541 561831148 /nfs/dbraw/zinc/83/11/48/561831148.db2.gz VCNRITFCECGWNQ-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026978541 561831146 /nfs/dbraw/zinc/83/11/46/561831146.db2.gz VCNRITFCECGWNQ-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO CCC[N@@H+](CCCN1C(=O)CCC1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026984580 561831740 /nfs/dbraw/zinc/83/17/40/561831740.db2.gz MFSOFOHOEBBNMC-QHCPKHFHSA-N 1 1 575.714 3.601 1 0 KHAFMO CCC[N@@H+](CCCN1C(=O)CCC1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026984588 561831727 /nfs/dbraw/zinc/83/17/27/561831727.db2.gz MFSOFOHOEBBNMC-HSZRJFAPSA-N 1 1 575.714 3.601 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000026984640 561831686 /nfs/dbraw/zinc/83/16/86/561831686.db2.gz REMWHFWKWGUPSX-QVDBQUMVSA-N 1 1 708.856 3.967 1 0 KHAFMO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000026986536 561831985 /nfs/dbraw/zinc/83/19/85/561831985.db2.gz MGATYTYGRGOEMV-RHAMUZCRSA-N 1 1 728.935 3.735 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026993541 561832783 /nfs/dbraw/zinc/83/27/83/561832783.db2.gz PHTGQOYLTMJQER-JMGLEEQKSA-N 1 1 653.824 3.613 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026993541 561832781 /nfs/dbraw/zinc/83/27/81/561832781.db2.gz PHTGQOYLTMJQER-JMGLEEQKSA-N 1 1 653.824 3.613 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026995451 561833260 /nfs/dbraw/zinc/83/32/60/561833260.db2.gz LGMBHWQZEHFJOS-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccncc1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026995451 561833258 /nfs/dbraw/zinc/83/32/58/561833258.db2.gz LGMBHWQZEHFJOS-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO Cc1cc2oc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)cc2cn1 ZINC000027073138 561833809 /nfs/dbraw/zinc/83/38/09/561833809.db2.gz AACGEOQWBRCPAI-GZQRKPJDSA-N 1 1 667.851 3.922 1 0 KHAFMO Cc1cc2oc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)cc2cn1 ZINC000027073138 561833807 /nfs/dbraw/zinc/83/38/07/561833807.db2.gz AACGEOQWBRCPAI-GZQRKPJDSA-N 1 1 667.851 3.922 1 0 KHAFMO CCCCCOC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H]([NH3+])C(=O)OCCCCC ZINC000027080441 561835035 /nfs/dbraw/zinc/83/50/35/561835035.db2.gz UPWZUZDLZQPYTA-DHIUTWEWSA-N 1 1 616.619 3.858 1 0 KHAFMO CCCCCOC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@@H]([NH3+])C(=O)OCCCCC ZINC000027080447 561835012 /nfs/dbraw/zinc/83/50/12/561835012.db2.gz UPWZUZDLZQPYTA-PKTZIBPZSA-N 1 1 616.619 3.858 1 0 KHAFMO CCCCCOC(=O)CNC(=O)[C@@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H]([NH3+])C(=O)OCCCCC ZINC000027080453 561834989 /nfs/dbraw/zinc/83/49/89/561834989.db2.gz UPWZUZDLZQPYTA-XZOQPEGZSA-N 1 1 616.619 3.858 1 0 KHAFMO CCCCCOC(=O)CNC(=O)[C@H](CSCc1ccc(Br)cc1)NC(=O)CC[C@H]([NH3+])C(=O)OCCCCC ZINC000027080460 561835004 /nfs/dbraw/zinc/83/50/04/561835004.db2.gz UPWZUZDLZQPYTA-GOTSBHOMSA-N 1 1 616.619 3.858 1 0 KHAFMO CN(CC(=O)[O-])c1c(F)c(Oc2cccc(C3=[NH+]CCN3C)c2)cc(Oc2cc(C(N)=[NH2+])ccc2O)c1F ZINC000027090461 561837184 /nfs/dbraw/zinc/83/71/84/561837184.db2.gz CJRXKCZRVCHWRY-UHFFFAOYSA-N 1 1 525.512 3.752 1 0 in-man KHAFMO C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104975 561839717 /nfs/dbraw/zinc/83/97/17/561839717.db2.gz IWXDXQSRKMEUGG-CKIYRECASA-N 1 1 661.847 3.507 1 0 KHAFMO C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104977 561839754 /nfs/dbraw/zinc/83/97/54/561839754.db2.gz IWXDXQSRKMEUGG-CJFIHWLOSA-N 1 1 661.847 3.507 1 0 KHAFMO COC(=O)COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027107671 561840598 /nfs/dbraw/zinc/84/05/98/561840598.db2.gz DIFNRVFIVBFMQU-KNJNRNFYSA-N 1 1 577.077 3.862 1 0 KHAFMO COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)Cc1cc(OCCC[NH+]2CCN(C)CC2)ccc1-3 ZINC000027188118 561843056 /nfs/dbraw/zinc/84/30/56/561843056.db2.gz YIWQQSQZJSTUCY-UHFFFAOYSA-N 1 1 516.642 3.749 1 0 KHAFMO COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)CCc1cc(OCCC[NH+]2CCN(C)CC2)ccc1-3 ZINC000027188394 561843032 /nfs/dbraw/zinc/84/30/32/561843032.db2.gz KKQMJDXVUJFDMV-UHFFFAOYSA-N 1 1 530.669 3.943 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027205368 561845876 /nfs/dbraw/zinc/84/58/76/561845876.db2.gz QRJUFNKCBDLAKR-UHFFFAOYSA-N 1 1 564.687 3.881 1 0 KHAFMO CC[C@@H](C)N(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000027207448 561846202 /nfs/dbraw/zinc/84/62/02/561846202.db2.gz UCZKNHGSSOPAGH-ZIIROOFJSA-N 1 1 666.288 3.991 1 0 KHAFMO CC[C@H](C)N(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000027207452 561846211 /nfs/dbraw/zinc/84/62/11/561846211.db2.gz UCZKNHGSSOPAGH-JYJPFYCCSA-N 1 1 666.288 3.991 1 0 KHAFMO CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027208034 561846448 /nfs/dbraw/zinc/84/64/48/561846448.db2.gz DSBIOASPUMNISZ-FQLXRVMXSA-N 1 1 624.207 3.581 1 0 KHAFMO CC(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000027210436 561847069 /nfs/dbraw/zinc/84/70/69/561847069.db2.gz KOMFHERAGYEJOY-ROJLCIKYSA-N 1 1 666.288 3.848 1 0 KHAFMO O=C(Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)C1CC1 ZINC000027211009 561847181 /nfs/dbraw/zinc/84/71/81/561847181.db2.gz BJZDXXDYKCWATQ-FQLXRVMXSA-N 1 1 586.136 3.779 1 0 KHAFMO CC[NH+]1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1 ZINC000027213183 561847736 /nfs/dbraw/zinc/84/77/36/561847736.db2.gz LMHXGPBXUYRDDA-MHZLTWQESA-N 1 1 630.255 3.578 1 0 KHAFMO CN(C)C(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027214865 561848022 /nfs/dbraw/zinc/84/80/22/561848022.db2.gz QVWCPGZXFYIAAD-VSGBNLITSA-N 1 1 589.140 3.524 1 0 KHAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2Cn2cncn2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027215895 561848432 /nfs/dbraw/zinc/84/84/32/561848432.db2.gz WLVMBBRKTBSPIQ-FQLXRVMXSA-N 1 1 618.569 3.724 1 0 KHAFMO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCSCC1 ZINC000027305779 561849595 /nfs/dbraw/zinc/84/95/95/561849595.db2.gz ISUQRVUBWUHZDD-UHFFFAOYSA-N 1 1 667.796 3.786 1 0 KHAFMO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000027307396 561849845 /nfs/dbraw/zinc/84/98/45/561849845.db2.gz ODOHDRIWJSPECP-UHFFFAOYSA-N 1 1 655.181 3.626 1 0 KHAFMO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCSCC1 ZINC000027308768 561850170 /nfs/dbraw/zinc/85/01/70/561850170.db2.gz NIOVASIMUWEVKW-UHFFFAOYSA-N 1 1 657.222 3.953 1 0 KHAFMO C[NH+](C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027318259 561852025 /nfs/dbraw/zinc/85/20/25/561852025.db2.gz OWIZAOWCVQVVKC-GNYDIZNJSA-N 1 1 567.800 3.503 1 0 KHAFMO Cc1ccc(-n2ccc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)cc1 ZINC000027320294 561852400 /nfs/dbraw/zinc/85/24/00/561852400.db2.gz BKEXZOJHHKGPBQ-SSWFPHBZSA-N 1 1 734.820 3.566 1 0 KHAFMO Cc1ccc(-n2ccc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)cc1 ZINC000027320294 561852398 /nfs/dbraw/zinc/85/23/98/561852398.db2.gz BKEXZOJHHKGPBQ-SSWFPHBZSA-N 1 1 734.820 3.566 1 0 KHAFMO Cc1ccccc1-n1ccc(C[N@H+]2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@H]3c4ccccc4OC[C@H]3O)[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000027323079 561853032 /nfs/dbraw/zinc/85/30/32/561853032.db2.gz CEXRANZMBATAHS-QHQMVRJISA-N 1 1 734.820 3.566 1 0 KHAFMO Cc1ccccc1-n1ccc(C[N@@H+]2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@H]3c4ccccc4OC[C@H]3O)[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000027323079 561853031 /nfs/dbraw/zinc/85/30/31/561853031.db2.gz CEXRANZMBATAHS-QHQMVRJISA-N 1 1 734.820 3.566 1 0 KHAFMO Cc1cccc(-n2ccc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000027323774 561853138 /nfs/dbraw/zinc/85/31/38/561853138.db2.gz CRGBWRPKHYQBLG-SSWFPHBZSA-N 1 1 734.820 3.566 1 0 KHAFMO Cc1cccc(-n2ccc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4cccnc4)C(=O)N[C@H]4c5ccccc5OC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000027323774 561853136 /nfs/dbraw/zinc/85/31/36/561853136.db2.gz CRGBWRPKHYQBLG-SSWFPHBZSA-N 1 1 734.820 3.566 1 0 KHAFMO CSC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000027331690 561855170 /nfs/dbraw/zinc/85/51/70/561855170.db2.gz MATDMESVLVWDAX-KJHMZRPRSA-N 1 1 619.832 3.554 1 0 KHAFMO CSC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000027331694 561855157 /nfs/dbraw/zinc/85/51/57/561855157.db2.gz MATDMESVLVWDAX-ZXYZSCNASA-N 1 1 619.832 3.554 1 0 KHAFMO NC(=O)c1c[nH]c2ccc(-c3ccc(Nc4nccc(-c5ccc(S(=O)(=O)N6CC[NH2+]CC6)cc5)n4)cc3)cc21 ZINC000027410562 561856321 /nfs/dbraw/zinc/85/63/21/561856321.db2.gz VAYBIKAXZPWVBH-UHFFFAOYSA-N 1 1 553.648 3.728 1 0 KHAFMO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000027521031 561863912 /nfs/dbraw/zinc/86/39/12/561863912.db2.gz YRYVFBUKRXJBMG-KAAJUZHGSA-N 1 1 628.899 3.763 1 0 KHAFMO CCCC[C@H](NC(=O)[C@@H](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027522465 561864535 /nfs/dbraw/zinc/86/45/35/561864535.db2.gz GYFADZPQYYAUQG-KAAJUZHGSA-N 1 1 628.899 3.908 1 0 KHAFMO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547980 561867295 /nfs/dbraw/zinc/86/72/95/561867295.db2.gz VOBJKTXVNRAUOO-AREMUKBSSA-N 1 1 569.609 3.603 1 0 KHAFMO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547982 561867297 /nfs/dbraw/zinc/86/72/97/561867297.db2.gz VOBJKTXVNRAUOO-SANMLTNESA-N 1 1 569.609 3.603 1 0 KHAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027554180 561868913 /nfs/dbraw/zinc/86/89/13/561868913.db2.gz QLWYZVLNCWQIIO-DYFQPDDQSA-N 1 1 589.733 3.815 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)NCc2nc3ccccc3[nH]2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027554363 561869064 /nfs/dbraw/zinc/86/90/64/561869064.db2.gz CHROISBHYHKDQL-WIIGKZCBSA-N 1 1 573.694 3.843 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000027554365 561869068 /nfs/dbraw/zinc/86/90/68/561869068.db2.gz RVYGXULVCKOQHN-PQMCBDDVSA-N 1 1 688.866 3.956 1 0 KHAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000027555213 561869374 /nfs/dbraw/zinc/86/93/74/561869374.db2.gz FLTCZMSMDPMVLJ-YXOGWZJSSA-N 1 1 589.733 3.817 1 0 KHAFMO CC(=O)NC1CC[NH+](C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563464 561871352 /nfs/dbraw/zinc/87/13/52/561871352.db2.gz OPIVNHLWYYGXFZ-MHZLTWQESA-N 1 1 521.533 3.938 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](CCCC(F)(F)F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027564319 561871856 /nfs/dbraw/zinc/87/18/56/561871856.db2.gz JEVLPPLIQZOIOE-IFYPTFCOSA-N 1 1 632.768 3.614 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CCCC(F)(F)F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027564319 561871855 /nfs/dbraw/zinc/87/18/55/561871855.db2.gz JEVLPPLIQZOIOE-IFYPTFCOSA-N 1 1 632.768 3.614 1 0 KHAFMO Cn1cc(C[N@H+]2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c2ccccc21 ZINC000027617057 561871997 /nfs/dbraw/zinc/87/19/97/561871997.db2.gz WPECFSSKCMFDKA-PJKOTPFHSA-N 1 1 665.879 3.964 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O ZINC000027650538 561876505 /nfs/dbraw/zinc/87/65/05/561876505.db2.gz ZGVUOBCKGRJVSM-FCTANEFASA-N 1 1 712.954 3.988 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O ZINC000027650538 561876503 /nfs/dbraw/zinc/87/65/03/561876503.db2.gz ZGVUOBCKGRJVSM-FCTANEFASA-N 1 1 712.954 3.988 1 0 KHAFMO Cc1ncc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027652926 561876948 /nfs/dbraw/zinc/87/69/48/561876948.db2.gz FZMAOCUIZZPJBS-CCEZHUSRSA-N 1 1 514.670 3.905 1 0 KHAFMO Cc1nc2cc3c4c(cccc4C(=O)N(CCNCCC[NH2+]CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656917 561877810 /nfs/dbraw/zinc/87/78/10/561877810.db2.gz HLBVHOTXKLBBTC-UHFFFAOYSA-N 1 1 628.693 3.824 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027721255 561880615 /nfs/dbraw/zinc/88/06/15/561880615.db2.gz SSAVQTWNFLPIDN-HXUWFJFHSA-N 1 1 547.587 3.867 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(C(C)(C)C)n3)c(F)c2)CC1 ZINC000027735359 561881779 /nfs/dbraw/zinc/88/17/79/561881779.db2.gz YXNYGXZXGFWKFT-LJQANCHMSA-N 1 1 541.624 3.888 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4ccco4)n3)c(F)c2)CC1 ZINC000027736568 561881879 /nfs/dbraw/zinc/88/18/79/561881879.db2.gz SZANANXMNDTHPA-LJQANCHMSA-N 1 1 551.575 3.850 1 0 KHAFMO CC(C)OCc1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027738404 561882162 /nfs/dbraw/zinc/88/21/62/561882162.db2.gz QGOCGFHDWWVQDU-HXUWFJFHSA-N 1 1 557.623 3.515 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4ccoc4)n3)c(F)c2)CC1 ZINC000027738526 561882107 /nfs/dbraw/zinc/88/21/07/561882107.db2.gz IQMVYZCNRCGGJN-LJQANCHMSA-N 1 1 551.575 3.850 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4cncs4)n3)c(F)c2)CC1 ZINC000027739222 561882257 /nfs/dbraw/zinc/88/22/57/561882257.db2.gz PABJQFMRLMJUNF-GOSISDBHSA-N 1 1 568.631 3.714 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4cccnc4)n3)c(F)c2)CC1 ZINC000027740614 561882492 /nfs/dbraw/zinc/88/24/92/561882492.db2.gz ONAMUDSFWTZGEO-HXUWFJFHSA-N 1 1 562.602 3.652 1 0 KHAFMO C[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027742447 561882676 /nfs/dbraw/zinc/88/26/76/561882676.db2.gz GTHNKEMBGNTLFM-OAQYLSRUSA-N 1 1 564.662 3.735 1 0 KHAFMO C[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027744933 561882930 /nfs/dbraw/zinc/88/29/30/561882930.db2.gz AZSDBZCRHARECA-OAQYLSRUSA-N 1 1 558.614 3.669 1 0 KHAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4ccncc4)n3)c(F)c2)CC1 ZINC000027745288 561882992 /nfs/dbraw/zinc/88/29/92/561882992.db2.gz GJKLVQZEKKBGFG-HXUWFJFHSA-N 1 1 562.602 3.652 1 0 KHAFMO Cc1c(C)c(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c2c1OC(C)(C)CC2 ZINC000027752729 561883349 /nfs/dbraw/zinc/88/33/49/561883349.db2.gz ASSJINMPZYFYOZ-MHZLTWQESA-N 1 1 621.804 3.864 1 0 KHAFMO Cc1c(C)c(S(=O)(=O)NCC(=O)N[C@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c2c1OC(C)(C)CC2 ZINC000027752737 561883344 /nfs/dbraw/zinc/88/33/44/561883344.db2.gz ASSJINMPZYFYOZ-HHHXNRCGSA-N 1 1 621.804 3.864 1 0 KHAFMO Cn1ccnc1COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027853194 561886166 /nfs/dbraw/zinc/88/61/66/561886166.db2.gz NBVQORRDUPOJRB-FQLXRVMXSA-N 1 1 613.162 3.743 1 0 KHAFMO CCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027854112 561886328 /nfs/dbraw/zinc/88/63/28/561886328.db2.gz UXFNZCRYDMKXGJ-KAYWLYCHSA-N 1 1 547.099 3.829 1 0 KHAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Cn2ccnc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027861666 561887105 /nfs/dbraw/zinc/88/71/05/561887105.db2.gz BVTKLQRLIKZFNA-LOYHVIPDSA-N 1 1 583.136 3.675 1 0 KHAFMO CCNC(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027874305 561888497 /nfs/dbraw/zinc/88/84/97/561888497.db2.gz VDIOPGCRFGFABO-RTWAWAEBSA-N 1 1 542.702 3.509 1 0 KHAFMO CCNC(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027874305 561888494 /nfs/dbraw/zinc/88/84/94/561888494.db2.gz VDIOPGCRFGFABO-RTWAWAEBSA-N 1 1 542.702 3.509 1 0 KHAFMO Cn1ccnc1Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027878336 561888736 /nfs/dbraw/zinc/88/87/36/561888736.db2.gz RWTMNYHSAGVTRQ-LOYHVIPDSA-N 1 1 597.163 3.755 1 0 KHAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000027884925 561889449 /nfs/dbraw/zinc/88/94/49/561889449.db2.gz JSXOGLXIXXCDCF-RTWAWAEBSA-N 1 1 539.698 3.716 1 0 KHAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000027884925 561889448 /nfs/dbraw/zinc/88/94/48/561889448.db2.gz JSXOGLXIXXCDCF-RTWAWAEBSA-N 1 1 539.698 3.716 1 0 KHAFMO COc1ccc2c(c1)C[C@](O)(C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885642 561889455 /nfs/dbraw/zinc/88/94/55/561889455.db2.gz UDIDCXYKCBMZLO-HKBQPEDESA-N 1 1 551.753 3.738 1 0 KHAFMO COc1ccc2c(c1)C[C@@](O)(C[NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885650 561889402 /nfs/dbraw/zinc/88/94/02/561889402.db2.gz UDIDCXYKCBMZLO-WJOKGBTCSA-N 1 1 551.753 3.738 1 0 KHAFMO C[NH+]1CCN(C(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000027902882 561891073 /nfs/dbraw/zinc/89/10/73/561891073.db2.gz OTXDRNYCWZPODA-JOCHJYFZSA-N 1 1 523.505 3.829 1 0 in-vivo KHAFMO C[NH+]1CCN(C(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000027902890 561891219 /nfs/dbraw/zinc/89/12/19/561891219.db2.gz OTXDRNYCWZPODA-QFIPXVFZSA-N 1 1 523.505 3.829 1 0 in-vivo KHAFMO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCN2C(=O)CC[C@@](CC)(c3ccccc3)C2=O)CC1 ZINC000027981960 561891666 /nfs/dbraw/zinc/89/16/66/561891666.db2.gz JQGIBKGMXPZTKV-PMERELPUSA-N 1 1 533.669 3.934 1 0 KHAFMO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCN2C(=O)CC[C@](CC)(c3ccccc3)C2=O)CC1 ZINC000027981962 561891691 /nfs/dbraw/zinc/89/16/91/561891691.db2.gz JQGIBKGMXPZTKV-SSEXGKCCSA-N 1 1 533.669 3.934 1 0 KHAFMO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000027986788 561892318 /nfs/dbraw/zinc/89/23/18/561892318.db2.gz ZPFSKHQWNFYIDQ-UHFFFAOYSA-N 1 1 513.594 3.887 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCSC1 ZINC000027988405 561892698 /nfs/dbraw/zinc/89/26/98/561892698.db2.gz PMFDBJMZGOMLEP-FBQZJRKBSA-N 1 1 515.764 3.623 1 0 KHAFMO CCOC(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000027988652 561892615 /nfs/dbraw/zinc/89/26/15/561892615.db2.gz FRNGMWCGHSNROT-UHFFFAOYSA-N 1 1 516.616 3.712 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCSC1 ZINC000027990627 561892984 /nfs/dbraw/zinc/89/29/84/561892984.db2.gz PMFDBJMZGOMLEP-GKLJYDMOSA-N 1 1 515.764 3.623 1 0 KHAFMO COc1ccc(CC[N@@H+](C)CCOc2ccc(NS(C)(=O)=O)cc2Nc2nccs2)cc1OC ZINC000027990695 561893050 /nfs/dbraw/zinc/89/30/50/561893050.db2.gz NZSRKDGMSAJIAV-UHFFFAOYSA-N 1 1 506.650 3.829 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C1=CCCSC1 ZINC000028003618 561895229 /nfs/dbraw/zinc/89/52/29/561895229.db2.gz OGXFLZGXLWUQAZ-HEMJVKPTSA-N 1 1 527.775 3.934 1 0 KHAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CC[C@@H](C)O ZINC000028012618 561896553 /nfs/dbraw/zinc/89/65/53/561896553.db2.gz RRIAPBKNSVWTSC-ICTDUYRTSA-N 1 1 539.717 3.965 1 0 KHAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CC[C@H](C)O ZINC000028012623 561896508 /nfs/dbraw/zinc/89/65/08/561896508.db2.gz RRIAPBKNSVWTSC-CAVYSCNFSA-N 1 1 539.717 3.965 1 0 KHAFMO COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1csc3cc(OS(C)(=O)=O)ccc13)CC2 ZINC000028013596 561896836 /nfs/dbraw/zinc/89/68/36/561896836.db2.gz CYIYSNBJRJWLMQ-UHFFFAOYSA-N 1 1 546.711 3.749 1 0 KHAFMO COc1cc2cncc(CC[N@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ZINC000028086643 561899213 /nfs/dbraw/zinc/89/92/13/561899213.db2.gz BPSWUCUUCGCPTR-UHFFFAOYSA-N 1 1 507.631 3.761 1 0 KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1cccc(Cl)c1)N(C)[C@@H]2c1cccc(Cl)c1 ZINC000028103277 561901916 /nfs/dbraw/zinc/90/19/16/561901916.db2.gz MIZNBULCYIWDBH-OUYJLQGDSA-N 1 1 505.398 3.555 1 0 KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000028112663 561903260 /nfs/dbraw/zinc/90/32/60/561903260.db2.gz MUNCDYSDMHCDQC-OUYJLQGDSA-N 1 1 505.398 3.555 1 0 KHAFMO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028113518 561903384 /nfs/dbraw/zinc/90/33/84/561903384.db2.gz KTFGBMXGPUIYSS-JHUVIDRYSA-N 1 1 694.921 3.930 1 0 in-vivo KHAFMO CCOCCOCCOc1ccc2c(c1)OC[C@@H]1C2=NO[C@H]1CN1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000028117339 561903948 /nfs/dbraw/zinc/90/39/48/561903948.db2.gz LLFVSLMMRPXQFK-FPHSVDBKSA-N 1 1 535.685 3.951 1 0 KHAFMO COc1cccc(-c2c(C)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028120050 561904371 /nfs/dbraw/zinc/90/43/71/561904371.db2.gz IIYOQMQCYJBONT-UHFFFAOYSA-N 1 1 520.580 3.890 1 0 KHAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC000028124705 561904769 /nfs/dbraw/zinc/90/47/69/561904769.db2.gz UFQHJBUUPWHGOJ-DNQXCXABSA-N 1 1 518.580 3.637 1 0 KHAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC000028124711 561904785 /nfs/dbraw/zinc/90/47/85/561904785.db2.gz UFQHJBUUPWHGOJ-BJKOFHAPSA-N 1 1 518.580 3.637 1 0 KHAFMO COc1cc(COc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc(OC)c1 ZINC000028130277 561905565 /nfs/dbraw/zinc/90/55/65/561905565.db2.gz MVZSJESUZFQKNE-SSEXGKCCSA-N 1 1 576.694 3.854 1 0 KHAFMO COc1cc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc(OC)c1 ZINC000028134595 561906291 /nfs/dbraw/zinc/90/62/91/561906291.db2.gz MVZSJESUZFQKNE-PMERELPUSA-N 1 1 576.694 3.854 1 0 KHAFMO COc1cc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc(OC)c1OC ZINC000028256162 561911531 /nfs/dbraw/zinc/91/15/31/561911531.db2.gz USRSWONXSYDVGX-UHFFFAOYSA-N 1 1 580.632 3.907 1 0 KHAFMO Cc1c(-c2ccc3c(c2)OCCO3)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028257182 561911570 /nfs/dbraw/zinc/91/15/70/561911570.db2.gz GZMLKXHBHQOVMH-UHFFFAOYSA-N 1 1 548.590 3.653 1 0 KHAFMO COc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1OC ZINC000028259032 561911918 /nfs/dbraw/zinc/91/19/18/561911918.db2.gz ZWXTXHVKXSLONG-UHFFFAOYSA-N 1 1 550.606 3.899 1 0 KHAFMO Cc1c(-c2ccc3c(c2)OCO3)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028259159 561912004 /nfs/dbraw/zinc/91/20/04/561912004.db2.gz MSDRULHMRPKHSG-UHFFFAOYSA-N 1 1 534.563 3.610 1 0 KHAFMO CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028334355 561913083 /nfs/dbraw/zinc/91/30/83/561913083.db2.gz VLUNLEWDGMQENF-XZWHSSHBSA-N 1 1 650.245 3.607 1 0 KHAFMO COc1cc(OC)cc(-c2cc3cnc(NCCC[NH+]4CCOCC4)nc3nc2NC(=O)NC(C)(C)C)c1 ZINC000028337129 561913488 /nfs/dbraw/zinc/91/34/88/561913488.db2.gz KWSRBEPOLXYHOX-UHFFFAOYSA-N 1 1 523.638 3.763 1 0 KHAFMO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000028337513 561913618 /nfs/dbraw/zinc/91/36/18/561913618.db2.gz IKHVFEMXTMVXNG-YVEBFHIHSA-N 1 1 617.238 3.689 1 0 KHAFMO O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028339360 561913877 /nfs/dbraw/zinc/91/38/77/561913877.db2.gz IXLBNNWOEPBRCN-NDEPHWFRSA-N 1 1 516.642 3.837 1 0 KHAFMO CC(C)C[N@H+]1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028340287 561913847 /nfs/dbraw/zinc/91/38/47/561913847.db2.gz LPAAMNBCVQUGHZ-WDYNHAJCSA-N 1 1 599.836 3.887 1 0 KHAFMO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCC[N@@H+](CC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028341849 561914251 /nfs/dbraw/zinc/91/42/51/561914251.db2.gz JPQJPBHJNXUVMU-JHUVIDRYSA-N 1 1 692.905 3.684 1 0 KHAFMO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCC[N@H+](CC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028341849 561914250 /nfs/dbraw/zinc/91/42/50/561914250.db2.gz JPQJPBHJNXUVMU-JHUVIDRYSA-N 1 1 692.905 3.684 1 0 KHAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2(N)CCc3ccccc32)CC1 ZINC000028346124 561914904 /nfs/dbraw/zinc/91/49/04/561914904.db2.gz QTUAHMLSKYOMMA-VQYMFVQZSA-N 1 1 629.249 3.919 1 0 KHAFMO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2(N)CCc3ccccc32)CC1 ZINC000028346139 561914924 /nfs/dbraw/zinc/91/49/24/561914924.db2.gz QTUAHMLSKYOMMA-RXLFUMQBSA-N 1 1 629.249 3.919 1 0 KHAFMO COCC[N@@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346377 561914908 /nfs/dbraw/zinc/91/49/08/561914908.db2.gz UGBBDLMUDPROHP-FIRIVFDPSA-N 1 1 604.195 3.509 1 0 KHAFMO O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028350525 561915490 /nfs/dbraw/zinc/91/54/90/561915490.db2.gz IXLBNNWOEPBRCN-MUUNZHRXSA-N 1 1 516.642 3.837 1 0 KHAFMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NCC(c4ccccc4)c4ccccc4)c(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC000028362379 561917007 /nfs/dbraw/zinc/91/70/07/561917007.db2.gz VODUCDWVPSEMSZ-UHFFFAOYSA-N 1 1 659.853 3.578 1 0 in-vivo KHAFMO O=C1[C@H]2C[C@@]34C=C[C@]2(OCN1CCc1ccccc1)[C@@H]1Oc2cc(O)cc5c2[C@@]13CC[N@@H+](CC1CC1)[C@@H]4C5 ZINC000028366966 561917648 /nfs/dbraw/zinc/91/76/48/561917648.db2.gz NJUJFMQALNBHSV-BUVWRSTLSA-N 1 1 510.634 3.805 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CC[C@@](O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028370250 561918211 /nfs/dbraw/zinc/91/82/11/561918211.db2.gz CXICXQLYBBFUNX-MUUNZHRXSA-N 1 1 512.647 3.769 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028370250 561918210 /nfs/dbraw/zinc/91/82/10/561918210.db2.gz CXICXQLYBBFUNX-MUUNZHRXSA-N 1 1 512.647 3.769 1 0 KHAFMO COc1cccc(C(O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2cccc(OC)c2)c1 ZINC000028378221 561919506 /nfs/dbraw/zinc/91/95/06/561919506.db2.gz SDXNEJGAUZEREY-UHFFFAOYSA-N 1 1 538.710 3.941 1 0 KHAFMO COc1cccc(C(O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2cccc(OC)c2)c1 ZINC000028378221 561919504 /nfs/dbraw/zinc/91/95/04/561919504.db2.gz SDXNEJGAUZEREY-UHFFFAOYSA-N 1 1 538.710 3.941 1 0 KHAFMO CO[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028379610 561919863 /nfs/dbraw/zinc/91/98/63/561919863.db2.gz QPZRQOXEDOMSOS-RDGATRHJSA-N 1 1 588.174 3.848 1 0 KHAFMO CNc1cccc([C@@](O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028385800 561921088 /nfs/dbraw/zinc/92/10/88/561921088.db2.gz JDEZYXDWDAPVDI-GDLZYMKVSA-N 1 1 507.700 3.966 1 0 KHAFMO CNc1cccc([C@](O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028385808 561921047 /nfs/dbraw/zinc/92/10/47/561921047.db2.gz JDEZYXDWDAPVDI-LJAQVGFWSA-N 1 1 507.700 3.966 1 0 KHAFMO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000028386310 561921094 /nfs/dbraw/zinc/92/10/94/561921094.db2.gz MCWZJZOROQSPHT-OAQYLSRUSA-N 1 1 517.634 3.733 1 0 KHAFMO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC[C@H]2CCC[N@H+](C)C2)n1 ZINC000028386316 561921108 /nfs/dbraw/zinc/92/11/08/561921108.db2.gz MCWZJZOROQSPHT-NRFANRHFSA-N 1 1 517.634 3.733 1 0 KHAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(Cl)cc5)n4)CC3)ccc2s1 ZINC000028386505 561921225 /nfs/dbraw/zinc/92/12/25/561921225.db2.gz XATMJVGHPVAZPT-LJQANCHMSA-N 1 1 500.024 3.866 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CC[C@@](O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 ZINC000028388862 561921841 /nfs/dbraw/zinc/92/18/41/561921841.db2.gz GPNBCIPNVXJZRI-MUUNZHRXSA-N 1 1 530.637 3.908 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 ZINC000028388862 561921839 /nfs/dbraw/zinc/92/18/39/561921839.db2.gz GPNBCIPNVXJZRI-MUUNZHRXSA-N 1 1 530.637 3.908 1 0 KHAFMO COc1ccccc1C(O)(CC[N@H+]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1OC ZINC000028389370 561921894 /nfs/dbraw/zinc/92/18/94/561921894.db2.gz DKNOUTKSKNGZGM-UHFFFAOYSA-N 1 1 538.710 3.941 1 0 KHAFMO COc1ccccc1C(O)(CC[N@@H+]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1OC ZINC000028389370 561921893 /nfs/dbraw/zinc/92/18/93/561921893.db2.gz DKNOUTKSKNGZGM-UHFFFAOYSA-N 1 1 538.710 3.941 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CC[C@@](O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 ZINC000028391518 561922389 /nfs/dbraw/zinc/92/23/89/561922389.db2.gz CACOSGMLNQGLQJ-NDEPHWFRSA-N 1 1 512.647 3.769 1 0 KHAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 ZINC000028391518 561922387 /nfs/dbraw/zinc/92/23/87/561922387.db2.gz CACOSGMLNQGLQJ-NDEPHWFRSA-N 1 1 512.647 3.769 1 0 KHAFMO COc1cccc([C@@](O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392512 561922496 /nfs/dbraw/zinc/92/24/96/561922496.db2.gz GGGQOVLGMUZYKV-GDLZYMKVSA-N 1 1 508.684 3.933 1 0 KHAFMO COc1cccc([C@@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392512 561922494 /nfs/dbraw/zinc/92/24/94/561922494.db2.gz GGGQOVLGMUZYKV-GDLZYMKVSA-N 1 1 508.684 3.933 1 0 KHAFMO COc1cccc([C@](O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392518 561922566 /nfs/dbraw/zinc/92/25/66/561922566.db2.gz GGGQOVLGMUZYKV-LJAQVGFWSA-N 1 1 508.684 3.933 1 0 KHAFMO COc1cccc([C@](O)(CC[N@@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 ZINC000028392518 561922565 /nfs/dbraw/zinc/92/25/65/561922565.db2.gz GGGQOVLGMUZYKV-LJAQVGFWSA-N 1 1 508.684 3.933 1 0 KHAFMO C[C@@H](NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028396119 561923038 /nfs/dbraw/zinc/92/30/38/561923038.db2.gz BEXZQSKPPAOPDU-QFQXNSOFSA-N 1 1 538.092 3.509 1 0 KHAFMO C[C@H](NCc1ccco1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1 ZINC000028396124 561923041 /nfs/dbraw/zinc/92/30/41/561923041.db2.gz BEXZQSKPPAOPDU-HFZDXXHNSA-N 1 1 538.092 3.509 1 0 KHAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccn4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028396939 561923161 /nfs/dbraw/zinc/92/31/61/561923161.db2.gz BJMTUHPLTGTGJU-WJOKGBTCSA-N 1 1 610.715 3.827 1 0 KHAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccn4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028396946 561923202 /nfs/dbraw/zinc/92/32/02/561923202.db2.gz BJMTUHPLTGTGJU-HKBQPEDESA-N 1 1 610.715 3.827 1 0 KHAFMO NC1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3C[NH2+]CCc3cccs3)CC2)CC1 ZINC000028397464 561923266 /nfs/dbraw/zinc/92/32/66/561923266.db2.gz PKPHYTZTPDQADB-AREMUKBSSA-N 1 1 566.171 3.601 1 0 KHAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5cccc(Cl)c5)n4)CC3)ccc2s1 ZINC000028397809 561923415 /nfs/dbraw/zinc/92/34/15/561923415.db2.gz YCXMIYHFLJBIGG-LJQANCHMSA-N 1 1 500.024 3.866 1 0 KHAFMO CCCC[C@H](NC(=O)OCC1(COc2ccnc(N3CC[NH+](C)CC3)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028455613 561923634 /nfs/dbraw/zinc/92/36/34/561923634.db2.gz CDDGYMDTJDHYOE-NOZRDPDXSA-N 1 1 580.730 3.509 1 0 KHAFMO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C ZINC000028457530 561924189 /nfs/dbraw/zinc/92/41/89/561924189.db2.gz IGFNCURCRXYZDP-VXKWHMMOSA-N 1 1 542.769 3.851 1 0 KHAFMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000028459331 561924825 /nfs/dbraw/zinc/92/48/25/561924825.db2.gz RDGBBKRHZQSWBP-UHFFFAOYSA-N 1 1 519.627 3.716 1 0 KHAFMO CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470519 561926811 /nfs/dbraw/zinc/92/68/11/561926811.db2.gz SEGOHOHUUXEXJV-BDYUSTAISA-N 1 1 509.695 3.944 1 0 KHAFMO CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028472680 561927227 /nfs/dbraw/zinc/92/72/27/561927227.db2.gz FBIXVVSBGBUTAX-UPVQGACJSA-N 1 1 500.709 3.614 1 0 KHAFMO CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028474097 561927489 /nfs/dbraw/zinc/92/74/89/561927489.db2.gz PTIGCKULWOAKIL-IGKIAQTJSA-N 1 1 510.679 3.911 1 0 KHAFMO C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028475901 561928180 /nfs/dbraw/zinc/92/81/80/561928180.db2.gz RKNIENCDWXXRHQ-OFVILXPXSA-N 1 1 579.525 3.678 1 0 KHAFMO CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[N@H+]1C ZINC000028478132 561928661 /nfs/dbraw/zinc/92/86/61/561928661.db2.gz UTVJDBAFZSBXLX-IARZGTGTSA-N 1 1 585.809 3.639 1 0 KHAFMO CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[N@H+]1C ZINC000028478135 561928712 /nfs/dbraw/zinc/92/87/12/561928712.db2.gz UTVJDBAFZSBXLX-FCEKVYKBSA-N 1 1 585.809 3.639 1 0 KHAFMO CC(C)N(C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[N@@H+](C)CCN2)CC1)C(C)C ZINC000028520613 561928922 /nfs/dbraw/zinc/92/89/22/561928922.db2.gz HZZLHJKIQLUQGF-WDYNHAJCSA-N 1 1 585.809 3.591 1 0 KHAFMO O=C(N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)OCc1ccccc1 ZINC000028522246 561929460 /nfs/dbraw/zinc/92/94/60/561929460.db2.gz YOOWHGMISVYFBR-MUUNZHRXSA-N 1 1 572.735 3.990 1 0 KHAFMO O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)OCc1ccccc1 ZINC000028525606 561931502 /nfs/dbraw/zinc/93/15/02/561931502.db2.gz CDNZAOVICDKJNC-GUGRYZTLSA-N 1 1 530.669 3.907 1 0 KHAFMO O=C(NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)OCc1ccccc1 ZINC000028525606 561931500 /nfs/dbraw/zinc/93/15/00/561931500.db2.gz CDNZAOVICDKJNC-GUGRYZTLSA-N 1 1 530.669 3.907 1 0 KHAFMO O=C(NCCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 ZINC000028525607 561931531 /nfs/dbraw/zinc/93/15/31/561931531.db2.gz CDNZAOVICDKJNC-HSZTUGLFSA-N 1 1 530.669 3.907 1 0 KHAFMO O=C(NCCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 ZINC000028525607 561931528 /nfs/dbraw/zinc/93/15/28/561931528.db2.gz CDNZAOVICDKJNC-HSZTUGLFSA-N 1 1 530.669 3.907 1 0 KHAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2NCCC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028525921 561931706 /nfs/dbraw/zinc/93/17/06/561931706.db2.gz VWNHDCKGSBAWFS-VSGBNLITSA-N 1 1 558.126 3.789 1 0 KHAFMO CC(=O)N1CCCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c21 ZINC000028526407 561932065 /nfs/dbraw/zinc/93/20/65/561932065.db2.gz SKPNANPTKQORRY-LOYHVIPDSA-N 1 1 600.163 3.730 1 0 KHAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3cc[nH]c32)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028528420 561933021 /nfs/dbraw/zinc/93/30/21/561933021.db2.gz XEHPJDSSJIWLTF-KAYWLYCHSA-N 1 1 542.083 3.912 1 0 KHAFMO CC(C)S(=O)(=O)N1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1 ZINC000028528425 561933042 /nfs/dbraw/zinc/93/30/42/561933042.db2.gz BHBBFFIOCNUZAL-ROJLCIKYSA-N 1 1 664.272 3.527 1 0 KHAFMO CC[N@H+]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528954 561933606 /nfs/dbraw/zinc/93/36/06/561933606.db2.gz JTJWQYXRVACUGS-FIRIVFDPSA-N 1 1 586.180 3.809 1 0 KHAFMO CC[N@H+]1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)C1 ZINC000028528956 561933626 /nfs/dbraw/zinc/93/36/26/561933626.db2.gz JULTYTPAEPLXQT-FIRIVFDPSA-N 1 1 586.180 3.809 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCCCNC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000028530039 561934445 /nfs/dbraw/zinc/93/44/45/561934445.db2.gz PKRAENCMWFWKSB-IMKBVMFZSA-N 1 1 657.856 3.518 1 0 in-vivo KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCCCNC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000028530042 561934429 /nfs/dbraw/zinc/93/44/29/561934429.db2.gz PKRAENCMWFWKSB-PUPDPRJKSA-N 1 1 657.856 3.518 1 0 in-vivo KHAFMO CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028530113 561934643 /nfs/dbraw/zinc/93/46/43/561934643.db2.gz LIQUWRAXEZXWSH-HHHXNRCGSA-N 1 1 539.120 3.593 1 0 KHAFMO COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@H+](C)C4)CC1 ZINC000028530243 561934585 /nfs/dbraw/zinc/93/45/85/561934585.db2.gz PGGSJVILXJSING-UHFFFAOYSA-N 1 1 508.475 3.584 1 0 KHAFMO COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@@H+](C)C4)CC1 ZINC000028530243 561934584 /nfs/dbraw/zinc/93/45/84/561934584.db2.gz PGGSJVILXJSING-UHFFFAOYSA-N 1 1 508.475 3.584 1 0 KHAFMO COc1ccc(-c2ccccc2)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@H+](C)C4)CC1 ZINC000028530490 561934842 /nfs/dbraw/zinc/93/48/42/561934842.db2.gz AECCHTQUIJEKGQ-UHFFFAOYSA-N 1 1 515.683 3.944 1 0 KHAFMO COc1ccc(-c2ccccc2)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@@H+](C)C4)CC1 ZINC000028530490 561934841 /nfs/dbraw/zinc/93/48/41/561934841.db2.gz AECCHTQUIJEKGQ-UHFFFAOYSA-N 1 1 515.683 3.944 1 0 KHAFMO COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@H+](C)C4)CC1 ZINC000028530597 561934869 /nfs/dbraw/zinc/93/48/69/561934869.db2.gz XBAATZNHXISDKX-UHFFFAOYSA-N 1 1 508.475 3.584 1 0 KHAFMO COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@@H+](C)C4)CC1 ZINC000028530597 561934868 /nfs/dbraw/zinc/93/48/68/561934868.db2.gz XBAATZNHXISDKX-UHFFFAOYSA-N 1 1 508.475 3.584 1 0 KHAFMO COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(C(=O)CCCC[NH+]3CCOCC3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O ZINC000028564312 561935657 /nfs/dbraw/zinc/93/56/57/561935657.db2.gz DFGCSRGLEWOUTE-QLWXXVCSSA-N 1 1 662.784 3.771 1 0 KHAFMO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000028565081 561935967 /nfs/dbraw/zinc/93/59/67/561935967.db2.gz JJUBDOVDJAHWMH-UHFFFAOYSA-N 1 1 594.676 3.994 1 0 KHAFMO Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(O)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000028568869 561937539 /nfs/dbraw/zinc/93/75/39/561937539.db2.gz WZJMSTTUKDJWPB-UHFFFAOYSA-N 1 1 520.533 3.663 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cc(F)ccc3Br)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572068 561939742 /nfs/dbraw/zinc/93/97/42/561939742.db2.gz YPFFIYLKHPLBMP-MUUNZHRXSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cc(F)ccc3Br)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572069 561939728 /nfs/dbraw/zinc/93/97/28/561939728.db2.gz YPFFIYLKHPLBMP-NDEPHWFRSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccccc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572151 561939735 /nfs/dbraw/zinc/93/97/35/561939735.db2.gz HDJRNAXNIIYYDN-MUUNZHRXSA-N 1 1 566.012 3.625 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccccc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572152 561939790 /nfs/dbraw/zinc/93/97/90/561939790.db2.gz HDJRNAXNIIYYDN-NDEPHWFRSA-N 1 1 566.012 3.625 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000028572229 561939900 /nfs/dbraw/zinc/93/99/00/561939900.db2.gz MUMVAWLSJMWHJO-MHZLTWQESA-N 1 1 628.637 3.514 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)CN2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000028572229 561939897 /nfs/dbraw/zinc/93/98/97/561939897.db2.gz MUMVAWLSJMWHJO-MHZLTWQESA-N 1 1 628.637 3.514 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000028572230 561939926 /nfs/dbraw/zinc/93/99/26/561939926.db2.gz MUMVAWLSJMWHJO-HHHXNRCGSA-N 1 1 628.637 3.514 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)CN2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000028572230 561939925 /nfs/dbraw/zinc/93/99/25/561939925.db2.gz MUMVAWLSJMWHJO-HHHXNRCGSA-N 1 1 628.637 3.514 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572337 561939945 /nfs/dbraw/zinc/93/99/45/561939945.db2.gz ADBZKWUOYQQTEQ-MUUNZHRXSA-N 1 1 566.012 3.625 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572338 561939939 /nfs/dbraw/zinc/93/99/39/561939939.db2.gz ADBZKWUOYQQTEQ-NDEPHWFRSA-N 1 1 566.012 3.625 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572553 561940201 /nfs/dbraw/zinc/94/02/01/561940201.db2.gz SUHLUTWOMKXESO-MUUNZHRXSA-N 1 1 599.564 3.991 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572554 561940210 /nfs/dbraw/zinc/94/02/10/561940210.db2.gz SUHLUTWOMKXESO-NDEPHWFRSA-N 1 1 599.564 3.991 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572555 561940207 /nfs/dbraw/zinc/94/02/07/561940207.db2.gz JOZDOJZHBGGSSC-MUUNZHRXSA-N 1 1 599.564 3.991 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572556 561940227 /nfs/dbraw/zinc/94/02/27/561940227.db2.gz JOZDOJZHBGGSSC-NDEPHWFRSA-N 1 1 599.564 3.991 1 0 KHAFMO C[N@@H+](Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000028572684 561940395 /nfs/dbraw/zinc/94/03/95/561940395.db2.gz WECSIKINZAPKNB-UHFFFAOYSA-N 1 1 502.644 3.956 1 0 KHAFMO CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C[NH+]3Cc4ccccc4C3)cc2)cc1 ZINC000028572685 561940388 /nfs/dbraw/zinc/94/03/88/561940388.db2.gz CRPMXOODLGSTAC-UHFFFAOYSA-N 1 1 500.628 3.839 1 0 KHAFMO CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)[nH+]c3CN3Cc4ccccc4C3)cc2)cc1 ZINC000028572685 561940387 /nfs/dbraw/zinc/94/03/87/561940387.db2.gz CRPMXOODLGSTAC-UHFFFAOYSA-N 1 1 500.628 3.839 1 0 KHAFMO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000028604049 561940629 /nfs/dbraw/zinc/94/06/29/561940629.db2.gz OHPIAISBTHGTMM-UHFFFAOYSA-N 1 1 549.697 3.511 1 0 KHAFMO COc1cc(/C=C/C(=O)OCCCN2CC[NH+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000028637374 561941735 /nfs/dbraw/zinc/94/17/35/561941735.db2.gz UPCKASFMIQLAMV-MDZDMXLPSA-N 1 1 616.708 3.549 1 0 KHAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637851 561941851 /nfs/dbraw/zinc/94/18/51/561941851.db2.gz WDPCLEPHZATCPH-ZHACJKMWSA-N 1 1 561.628 3.864 1 0 KHAFMO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637877 561941781 /nfs/dbraw/zinc/94/17/81/561941781.db2.gz JCJUTQZXHFVSEU-VAWYXSNFSA-N 1 1 618.724 3.795 1 0 KHAFMO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637877 561941779 /nfs/dbraw/zinc/94/17/79/561941779.db2.gz JCJUTQZXHFVSEU-VAWYXSNFSA-N 1 1 618.724 3.795 1 0 KHAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637877 561941777 /nfs/dbraw/zinc/94/17/77/561941777.db2.gz JCJUTQZXHFVSEU-VAWYXSNFSA-N 1 1 618.724 3.795 1 0 KHAFMO CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c21)[C@@H]1CC[N@@H+](CC)C1 ZINC000028642423 561943633 /nfs/dbraw/zinc/94/36/33/561943633.db2.gz QGPQKWYMNWOLLI-JOCHJYFZSA-N 1 1 519.646 3.546 1 0 KHAFMO CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c21)[C@@H]1CC[N@H+](CC)C1 ZINC000028642423 561943631 /nfs/dbraw/zinc/94/36/31/561943631.db2.gz QGPQKWYMNWOLLI-JOCHJYFZSA-N 1 1 519.646 3.546 1 0 KHAFMO CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c21)[C@H]1CC[N@@H+](CC)C1 ZINC000028642425 561943644 /nfs/dbraw/zinc/94/36/44/561943644.db2.gz QGPQKWYMNWOLLI-QFIPXVFZSA-N 1 1 519.646 3.546 1 0 KHAFMO CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c21)[C@H]1CC[N@H+](CC)C1 ZINC000028642425 561943643 /nfs/dbraw/zinc/94/36/43/561943643.db2.gz QGPQKWYMNWOLLI-QFIPXVFZSA-N 1 1 519.646 3.546 1 0 KHAFMO C[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000028645072 561944587 /nfs/dbraw/zinc/94/45/87/561944587.db2.gz ZEIFLSNPTGAGDE-NGPQILRWSA-N 1 1 554.713 3.587 1 0 KHAFMO C[C@H](C(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000028645075 561944621 /nfs/dbraw/zinc/94/46/21/561944621.db2.gz ZEIFLSNPTGAGDE-FPWZBHQPSA-N 1 1 554.713 3.587 1 0 KHAFMO CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[NH3+] ZINC000028653042 561946133 /nfs/dbraw/zinc/94/61/33/561946133.db2.gz KQXJGASUCUHFSP-XLDNGHKCSA-N 1 1 640.829 3.730 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1)C(=O)N1CCC[C@H]1C(N)=O ZINC000028655483 561946582 /nfs/dbraw/zinc/94/65/82/561946582.db2.gz CORMEWQNFDRECN-HKRXKFSESA-N 1 1 630.834 3.500 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000028655496 561946546 /nfs/dbraw/zinc/94/65/46/561946546.db2.gz YNMVMEOICCVXBZ-YLEYOLFGSA-N 1 1 644.861 3.748 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000028655499 561946701 /nfs/dbraw/zinc/94/67/01/561946701.db2.gz YNMVMEOICCVXBZ-RYSAPQFRSA-N 1 1 644.861 3.748 1 0 KHAFMO Cc1ccc(C[NH3+])cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1 ZINC000028702777 561947322 /nfs/dbraw/zinc/94/73/22/561947322.db2.gz ZBULOKGSIMDZDA-UHFFFAOYSA-N 1 1 531.686 3.885 1 0 KHAFMO Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccc3c(N)[nH+]ccc3c2)c1 ZINC000028709938 561950837 /nfs/dbraw/zinc/95/08/37/561950837.db2.gz HRYFJQYDZWRTSR-UHFFFAOYSA-N 1 1 503.994 3.557 1 0 KHAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1cc2ccccc2s1 ZINC000028711589 561952022 /nfs/dbraw/zinc/95/20/22/561952022.db2.gz UUYFYCJBQNCVMV-RUZDIDTESA-N 1 1 562.736 3.510 1 0 KHAFMO CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1 ZINC000028711595 561952065 /nfs/dbraw/zinc/95/20/65/561952065.db2.gz CQWNINTZIMKGDV-AREMUKBSSA-N 1 1 576.763 3.852 1 0 KHAFMO Cc1cc(NC(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)CCCC2)ccc1Br ZINC000028711605 561952166 /nfs/dbraw/zinc/95/21/66/561952166.db2.gz WIFMUCDEKGRYOX-AREMUKBSSA-N 1 1 614.585 3.758 1 0 KHAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000028711616 561952183 /nfs/dbraw/zinc/95/21/83/561952183.db2.gz ZTGMJEWCWMMZFU-WJOKGBTCSA-N 1 1 582.745 3.962 1 0 KHAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC ZINC000028713893 561954244 /nfs/dbraw/zinc/95/42/44/561954244.db2.gz CKDALLRCYSNSRF-JKSUJKDBSA-N 1 1 516.396 3.858 1 0 KHAFMO CCc1[nH+]c2c(ccc(OC3CCN(C(C)=[NH2+])CC3)c2N(CC(=O)[O-])CC(=O)[O-])n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028760561 561957900 /nfs/dbraw/zinc/95/79/00/561957900.db2.gz JPYVARSPHAMEHS-UHFFFAOYSA-N 1 1 599.692 3.900 1 0 KHAFMO O=C(NCc1ccccn1)c1c2ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c2n2c1CCCC2 ZINC000028764589 561959182 /nfs/dbraw/zinc/95/91/82/561959182.db2.gz YKLMGVJEZXDKGA-UHFFFAOYSA-N 1 1 531.611 3.736 1 0 KHAFMO Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028765396 561959548 /nfs/dbraw/zinc/95/95/48/561959548.db2.gz PFTRTEKHKPGIAI-UHFFFAOYSA-N 1 1 542.034 3.645 1 0 KHAFMO NC(=O)c1cccc2c1c1ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 ZINC000028765847 561959729 /nfs/dbraw/zinc/95/97/29/561959729.db2.gz BLIMNWSQDQYNMP-UHFFFAOYSA-N 1 1 527.579 3.770 1 0 KHAFMO CO[C@@H]1O[C@H](COCCCCC[NH3+])[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1cnc[nH]1 ZINC000028770187 561961146 /nfs/dbraw/zinc/96/11/46/561961146.db2.gz WUUCLDZFJSAYRC-CMPUJJQDSA-N 1 1 539.673 3.983 1 0 KHAFMO CO[C@@H]1O[C@H](COCCCCC[NH3+])[C@@H](OCc2ccccc2)[C@H](OCc2cnc[nH]2)[C@H]1OCc1ccccc1 ZINC000028770189 561961108 /nfs/dbraw/zinc/96/11/08/561961108.db2.gz OZLZJJHWTXTZDG-CMPUJJQDSA-N 1 1 539.673 3.983 1 0 KHAFMO C[C@@H]1CCC[C@H](COC(=O)N2CCC([N@@H+](C)C3CCN(C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816479 561964200 /nfs/dbraw/zinc/96/42/00/561964200.db2.gz WROVAGDTPCEDAQ-HYBUGGRVSA-N 1 1 541.158 3.899 1 0 KHAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3F)SCC(=O)N5)C4)c2c1 ZINC000028817461 561964703 /nfs/dbraw/zinc/96/47/03/561964703.db2.gz ZNWBJWPVLWMFFO-HNNXBMFYSA-N 1 1 503.559 3.900 1 0 KHAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3F)SCC(=O)N5)C4)c2c1 ZINC000028817462 561964808 /nfs/dbraw/zinc/96/48/08/561964808.db2.gz ZNWBJWPVLWMFFO-OAHLLOKOSA-N 1 1 503.559 3.900 1 0 KHAFMO CCOC(=O)c1cc2c(cc1C(=O)N[C@@H]1CCc3nn(-c4cc[nH+]c5ccc(OC)cc54)cc3C1)NC(=O)CS2 ZINC000028817508 561964909 /nfs/dbraw/zinc/96/49/09/561964909.db2.gz NVUUZIGODCVZIK-QGZVFWFLSA-N 1 1 557.632 3.937 1 0 KHAFMO CCOC(=O)c1cc2c(cc1C(=O)N[C@H]1CCc3nn(-c4cc[nH+]c5ccc(OC)cc54)cc3C1)NC(=O)CS2 ZINC000028817510 561964891 /nfs/dbraw/zinc/96/48/91/561964891.db2.gz NVUUZIGODCVZIK-KRWDZBQOSA-N 1 1 557.632 3.937 1 0 KHAFMO COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1 ZINC000028818182 561965267 /nfs/dbraw/zinc/96/52/67/561965267.db2.gz OJNGRQJLBMORTD-NDEPHWFRSA-N 1 1 502.659 3.838 1 0 KHAFMO COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1 ZINC000028818184 561965245 /nfs/dbraw/zinc/96/52/45/561965245.db2.gz OJNGRQJLBMORTD-MUUNZHRXSA-N 1 1 502.659 3.838 1 0 KHAFMO COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1 ZINC000028818186 561965175 /nfs/dbraw/zinc/96/51/75/561965175.db2.gz FJZUSTRVJVXQSY-LJAQVGFWSA-N 1 1 500.643 3.894 1 0 KHAFMO COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(C(=O)c5ccncc5)CC4)ccc32)cc1 ZINC000028818189 561965194 /nfs/dbraw/zinc/96/51/94/561965194.db2.gz FJZUSTRVJVXQSY-GDLZYMKVSA-N 1 1 500.643 3.894 1 0 KHAFMO Cc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C6CCOCC6)C5)C4)c(=O)c3s2)cc1 ZINC000028818554 561965387 /nfs/dbraw/zinc/96/53/87/561965387.db2.gz TZMZAJALVCDYKG-GOTSBHOMSA-N 1 1 521.687 3.985 1 0 KHAFMO COc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C6CCOCC6)C5)C4)c(=O)c3s2)c(C)c1 ZINC000028818567 561965303 /nfs/dbraw/zinc/96/53/03/561965303.db2.gz FUWGDNMCGSLMJS-VXKWHMMOSA-N 1 1 551.713 3.994 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H]([NH3+])c1nc2ccccc2[nH]1 ZINC000028821112 561966172 /nfs/dbraw/zinc/96/61/72/561966172.db2.gz YQQMQROTEMPVHU-VWYPKUQYSA-N 1 1 568.722 3.695 1 0 KHAFMO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCC[NH+]1CCOCC1 ZINC000028822218 561966847 /nfs/dbraw/zinc/96/68/47/561966847.db2.gz BONQCBZOMRGAFO-UHFFFAOYSA-N 1 1 500.962 3.535 1 0 KHAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822559 561967347 /nfs/dbraw/zinc/96/73/47/561967347.db2.gz SPLCCPCFVONMFS-OAQYLSRUSA-N 1 1 527.046 3.758 1 0 KHAFMO Cc1c(C[N@H+](C)C[C@@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822559 561967346 /nfs/dbraw/zinc/96/73/46/561967346.db2.gz SPLCCPCFVONMFS-OAQYLSRUSA-N 1 1 527.046 3.758 1 0 KHAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822560 561967287 /nfs/dbraw/zinc/96/72/87/561967287.db2.gz SPLCCPCFVONMFS-NRFANRHFSA-N 1 1 527.046 3.758 1 0 KHAFMO Cc1c(C[N@H+](C)C[C@H](O)c2ccc(O)cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822560 561967285 /nfs/dbraw/zinc/96/72/85/561967285.db2.gz SPLCCPCFVONMFS-NRFANRHFSA-N 1 1 527.046 3.758 1 0 KHAFMO CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028824373 561969569 /nfs/dbraw/zinc/96/95/69/561969569.db2.gz LDSXQJNUHISCNC-GGXMVOPNSA-N 1 1 535.666 3.503 1 0 KHAFMO CN(c1cc2cc(n1)N(Cc1ccccc1)CCCCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028824410 561969668 /nfs/dbraw/zinc/96/96/68/561969668.db2.gz QRBXQQOFAUZPAX-GDLZYMKVSA-N 1 1 536.698 3.824 1 0 KHAFMO NC(=[NH2+])NCCC[C@H](N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000028824977 561970268 /nfs/dbraw/zinc/97/02/68/561970268.db2.gz TYIVCKPBPCBXRJ-NRFANRHFSA-N 1 1 576.356 3.621 1 0 KHAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CC[N@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825135 561970297 /nfs/dbraw/zinc/97/02/97/561970297.db2.gz ZPOIVAJZTHLTTO-IIPRLWIHSA-N 1 1 527.588 3.781 1 0 KHAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CC[N@@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825135 561970295 /nfs/dbraw/zinc/97/02/95/561970295.db2.gz ZPOIVAJZTHLTTO-IIPRLWIHSA-N 1 1 527.588 3.781 1 0 KHAFMO O=C(NC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825207 561970540 /nfs/dbraw/zinc/97/05/40/561970540.db2.gz VXOBPLNQEJHCKR-SANMLTNESA-N 1 1 576.763 3.900 1 0 KHAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCCC1)c1cc2ccccc2s1 ZINC000028825208 561970623 /nfs/dbraw/zinc/97/06/23/561970623.db2.gz VXOBPLNQEJHCKR-AREMUKBSSA-N 1 1 576.763 3.900 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 ZINC000028825213 561970603 /nfs/dbraw/zinc/97/06/03/561970603.db2.gz YOLJRQHQYDNGJH-MHZLTWQESA-N 1 1 589.806 3.815 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 ZINC000028825214 561970584 /nfs/dbraw/zinc/97/05/84/561970584.db2.gz YOLJRQHQYDNGJH-HHHXNRCGSA-N 1 1 589.806 3.815 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 ZINC000028825230 561970592 /nfs/dbraw/zinc/97/05/92/561970592.db2.gz SKKXRUVXCQJZGP-JRYPVQGPSA-N 1 1 623.823 3.954 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@]2(NC(=O)c3cc4ccccc4s3)CCc3ccccc32)CC1 ZINC000028825231 561970559 /nfs/dbraw/zinc/97/05/59/561970559.db2.gz SKKXRUVXCQJZGP-GERKYKROSA-N 1 1 623.823 3.954 1 0 KHAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2C1)c1cc2ccccc2s1 ZINC000028825240 561970566 /nfs/dbraw/zinc/97/05/66/561970566.db2.gz HBFPLRNQVZTHGZ-GDLZYMKVSA-N 1 1 610.780 3.735 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)Cc3ccccc3C2)CC1 ZINC000028825241 561970609 /nfs/dbraw/zinc/97/06/09/561970609.db2.gz DDUDXQJJRXDLAT-SSEXGKCCSA-N 1 1 623.823 3.650 1 0 KHAFMO CN1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)c(OCCC[NH3+])c2)CC1 ZINC000028825295 561970673 /nfs/dbraw/zinc/97/06/73/561970673.db2.gz ONYXJPPMZIBARL-UHFFFAOYSA-N 1 1 523.037 3.719 1 0 KHAFMO CC(C)C[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 ZINC000028825750 561970950 /nfs/dbraw/zinc/97/09/50/561970950.db2.gz WTVGIWKDVPSDRV-XZOQPEGZSA-N 1 1 538.495 3.513 1 0 KHAFMO CC(C)C[C@@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 ZINC000028825751 561970973 /nfs/dbraw/zinc/97/09/73/561970973.db2.gz WTVGIWKDVPSDRV-DHIUTWEWSA-N 1 1 538.495 3.513 1 0 KHAFMO CC[C@@H]1CCC[C@H](C2(OC(=O)N3CC[NH+](C(C)(C)CO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827253 561971636 /nfs/dbraw/zinc/97/16/36/561971636.db2.gz UTPYURSIXIVBEJ-IFMALSPDSA-N 1 1 528.115 3.720 1 0 KHAFMO CC(C)(CO)[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028827264 561971611 /nfs/dbraw/zinc/97/16/11/561971611.db2.gz QVNUOJRVQDGJQW-XZOQPEGZSA-N 1 1 540.126 3.720 1 0 KHAFMO COc1cc(Br)cc(C(=O)NCCCC[N@H+]2CCc3cc4c(cc3C2)OCCO4)c1OC ZINC000028882527 561977107 /nfs/dbraw/zinc/97/71/07/561977107.db2.gz VYQRRTHTVKWPGR-UHFFFAOYSA-N 1 1 505.409 3.806 1 0 KHAFMO O=C(NCC[NH+]1CCCCC1)c1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1 ZINC000028884191 561977400 /nfs/dbraw/zinc/97/74/00/561977400.db2.gz LLGOZDNWSZVDOK-UHFFFAOYSA-N 1 1 534.632 3.542 1 0 KHAFMO Cc1c(C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897899 561979374 /nfs/dbraw/zinc/97/93/74/561979374.db2.gz JXJFJFTVOXIPTM-UHFFFAOYSA-N 1 1 641.716 3.899 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](CCO)C[C@@H](O)c3ccccc3)sc21 ZINC000028901337 561979846 /nfs/dbraw/zinc/97/98/46/561979846.db2.gz RHRRPHKHOWQFCO-XMMPIXPASA-N 1 1 526.058 3.711 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](CCO)C[C@@H](O)c3ccccc3)sc21 ZINC000028901337 561979844 /nfs/dbraw/zinc/97/98/44/561979844.db2.gz RHRRPHKHOWQFCO-XMMPIXPASA-N 1 1 526.058 3.711 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](CCO)C[C@H](O)c3ccccc3)sc21 ZINC000028901342 561979837 /nfs/dbraw/zinc/97/98/37/561979837.db2.gz RHRRPHKHOWQFCO-DEOSSOPVSA-N 1 1 526.058 3.711 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](CCO)C[C@H](O)c3ccccc3)sc21 ZINC000028901342 561979836 /nfs/dbraw/zinc/97/98/36/561979836.db2.gz RHRRPHKHOWQFCO-DEOSSOPVSA-N 1 1 526.058 3.711 1 0 KHAFMO CC(C)CC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949825 561980937 /nfs/dbraw/zinc/98/09/37/561980937.db2.gz VCELGISYJREWRH-SXOMAYOGSA-N 1 1 578.161 3.503 1 0 KHAFMO Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949829 561980917 /nfs/dbraw/zinc/98/09/17/561980917.db2.gz BPBFRWGCYGZAPG-SXOMAYOGSA-N 1 1 592.188 3.893 1 0 KHAFMO CC[C@@H](C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949832 561980907 /nfs/dbraw/zinc/98/09/07/561980907.db2.gz AWOJJPZZOHGJMY-ZFWHIUCFSA-N 1 1 578.161 3.503 1 0 KHAFMO CC[C@H](C)C1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949834 561980929 /nfs/dbraw/zinc/98/09/29/561980929.db2.gz AWOJJPZZOHGJMY-KWTBFXGESA-N 1 1 578.161 3.503 1 0 KHAFMO Cn1nnnc1CC1(Cc2ccccc2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949839 561980942 /nfs/dbraw/zinc/98/09/42/561980942.db2.gz RHHUKGGTCWPXCS-IHLOFXLRSA-N 1 1 612.178 3.700 1 0 KHAFMO Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)C[N@H+](C)[C@@H]2C3)cc1 ZINC000028949880 561981033 /nfs/dbraw/zinc/98/10/33/561981033.db2.gz KQVZHKXGWOSRCW-AZSVPQILSA-N 1 1 618.785 3.546 1 0 KHAFMO COc1ccc(-c2nc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000028950252 561981228 /nfs/dbraw/zinc/98/12/28/561981228.db2.gz SOMBFHHGZYERAW-UHFFFAOYSA-N 1 1 580.567 3.945 1 0 KHAFMO CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4[N@@H+](C)C3)CC2)cc1 ZINC000028950381 561981345 /nfs/dbraw/zinc/98/13/45/561981345.db2.gz ONKYEMQRNDCNOT-INNMJMHTSA-N 1 1 518.702 3.561 1 0 KHAFMO CC(C)[C@@H]1CCC[C@H](C2(OC(=O)N3CC[NH+](C(C)(C)CO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950678 561981426 /nfs/dbraw/zinc/98/14/26/561981426.db2.gz LZCMGTZILVEQAQ-XZOQPEGZSA-N 1 1 542.142 3.966 1 0 KHAFMO O=C(NCCC[NH+]1CCOCC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 ZINC000028951754 561981821 /nfs/dbraw/zinc/98/18/21/561981821.db2.gz PYSNXODTSWLJKM-UHFFFAOYSA-N 1 1 553.566 3.720 1 0 KHAFMO Cc1ccc(C[N@@H+](C)C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952331 561981833 /nfs/dbraw/zinc/98/18/33/561981833.db2.gz PVLOUXXXZOSIQQ-QFIPXVFZSA-N 1 1 520.596 3.584 1 0 KHAFMO CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CCN(C)CC3)CC2)C1 ZINC000028959728 561983965 /nfs/dbraw/zinc/98/39/65/561983965.db2.gz ZECQNJBJFAZORD-WUFINQPMSA-N 1 1 524.153 3.860 1 0 KHAFMO CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CCN(C)CC3)CC2)C1 ZINC000028959728 561983963 /nfs/dbraw/zinc/98/39/63/561983963.db2.gz ZECQNJBJFAZORD-WUFINQPMSA-N 1 1 524.153 3.860 1 0 KHAFMO COCC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975283 561986441 /nfs/dbraw/zinc/98/64/41/561986441.db2.gz KAJGDDHQBLSIIE-WMTXJRDZSA-N 1 1 559.708 3.733 1 0 KHAFMO CNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975294 561986472 /nfs/dbraw/zinc/98/64/72/561986472.db2.gz TXFKRSLQBDPWHK-QZNHQXDQSA-N 1 1 544.697 3.899 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)CN(C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975299 561986376 /nfs/dbraw/zinc/98/63/76/561986376.db2.gz PXRJBYSXFOWDHK-JBRSBNLGSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)CN(C)C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975299 561986374 /nfs/dbraw/zinc/98/63/74/561986374.db2.gz PXRJBYSXFOWDHK-JBRSBNLGSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975327 561986462 /nfs/dbraw/zinc/98/64/62/561986462.db2.gz UWCQUWYSAPGJBW-JBRSBNLGSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(CCO)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975351 561986479 /nfs/dbraw/zinc/98/64/79/561986479.db2.gz OCOUSFGWGHCEPX-WPFOTENUSA-N 1 1 531.698 3.552 1 0 KHAFMO COCC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975394 561986574 /nfs/dbraw/zinc/98/65/74/561986574.db2.gz IWCDKJNLRKTQFJ-WPFOTENUSA-N 1 1 559.708 3.733 1 0 KHAFMO CNC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975406 561986530 /nfs/dbraw/zinc/98/65/30/561986530.db2.gz AYMZHWSWFBAEIT-QNWVGRARSA-N 1 1 544.697 3.899 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)CN(C)C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975411 561986639 /nfs/dbraw/zinc/98/66/39/561986639.db2.gz NBEYIKPRTIBJBG-SONWIMMPSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)CN(C)C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975411 561986637 /nfs/dbraw/zinc/98/66/37/561986637.db2.gz NBEYIKPRTIBJBG-SONWIMMPSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CC(=O)N(C)C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975439 561986643 /nfs/dbraw/zinc/98/66/43/561986643.db2.gz XKTJOAIQIBMZJU-SONWIMMPSA-N 1 1 572.751 3.648 1 0 KHAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(CCO)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975460 561986649 /nfs/dbraw/zinc/98/66/49/561986649.db2.gz FQLXRHMQZQJNRK-WPFOTENUSA-N 1 1 531.698 3.552 1 0 KHAFMO Cc1ccc(C[C@H](NC(=O)N2CC[NH+](C)CC2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1 ZINC000029038481 561988990 /nfs/dbraw/zinc/98/89/90/561988990.db2.gz NNOUXCHATAKYSH-MNZLRIRCSA-N 1 1 588.774 3.968 1 0 KHAFMO COCC[N@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038678 561989135 /nfs/dbraw/zinc/98/91/35/561989135.db2.gz PMQOXWUBJSYNHV-KKLQWCBXSA-N 1 1 538.490 3.651 1 0 KHAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038760 561989351 /nfs/dbraw/zinc/98/93/51/561989351.db2.gz GZFMZJDVLOZLLL-OMXJDXKCSA-N 1 1 535.446 3.775 1 0 KHAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c43)C[C@H]21 ZINC000029038763 561989290 /nfs/dbraw/zinc/98/92/90/561989290.db2.gz APMKIUAVCAZQDA-AKCHCHLHSA-N 1 1 508.051 3.530 1 0 KHAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038765 561989294 /nfs/dbraw/zinc/98/92/94/561989294.db2.gz OMAJOZIPAPZWEL-AKCHCHLHSA-N 1 1 552.502 3.639 1 0 KHAFMO C[N@H+]1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]21 ZINC000029038767 561989317 /nfs/dbraw/zinc/98/93/17/561989317.db2.gz GZFMZJDVLOZLLL-WIRVKHDMSA-N 1 1 535.446 3.775 1 0 KHAFMO CCC[N@@H+](CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(-c2nnnn2C)c1 ZINC000029039069 561989517 /nfs/dbraw/zinc/98/95/17/561989517.db2.gz MUBGPUBCDUZPSB-CLOONOSVSA-N 1 1 511.646 3.794 1 0 KHAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CCCc2ccc(F)cc2)C2CC2)cc(-c2nnnn2C)c1 ZINC000029039071 561989523 /nfs/dbraw/zinc/98/95/23/561989523.db2.gz JEWWLECKWFDBAS-CJAUYULYSA-N 1 1 509.630 3.547 1 0 KHAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CCCc2ccc(F)cc2)CC2CC2)cc(-c2nnnn2C)c1 ZINC000029039076 561989467 /nfs/dbraw/zinc/98/94/67/561989467.db2.gz JBSFMYIPFYTPEY-BCHFMIIMSA-N 1 1 523.657 3.794 1 0 KHAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@H+](CC)[C@@H](C)CCc2ccc(F)cc2)cc(-c2nnnn2C)c1 ZINC000029039907 561990205 /nfs/dbraw/zinc/99/02/05/561990205.db2.gz JRJPTAPFBNEIPL-CEYNDMKZSA-N 1 1 511.646 3.793 1 0 KHAFMO COc1cc2c(cnnc2Nc2cnn(CC(=O)Nc3cccc(F)c3F)c2)cc1OCCC[N@H+]1CCC[C@@H]1CO ZINC000029041233 561991100 /nfs/dbraw/zinc/99/11/00/561991100.db2.gz QXESBEALAMPJGW-HXUWFJFHSA-N 1 1 567.597 3.721 1 0 KHAFMO CC[N@@H+](CCO)CCCOc1cc2cnnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC ZINC000029041235 561991172 /nfs/dbraw/zinc/99/11/72/561991172.db2.gz DBCJGJODGKBPQO-UHFFFAOYSA-N 1 1 555.586 3.579 1 0 KHAFMO COc1cc2c(cnnc2Nc2cnn(CC(=O)Nc3cccc(F)c3)c2)cc1OCCC[N@H+]1CCC[C@@H]1CO ZINC000029041237 561991159 /nfs/dbraw/zinc/99/11/59/561991159.db2.gz IQCOBHZLLQYSRZ-HSZRJFAPSA-N 1 1 549.607 3.582 1 0 KHAFMO O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc32)cn1)Nc1cccc(F)c1 ZINC000029041242 561991185 /nfs/dbraw/zinc/99/11/85/561991185.db2.gz GUQQPYZGQOCZDO-HSZRJFAPSA-N 1 1 519.581 3.573 1 0 KHAFMO O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc32)cn1)Nc1cccc(F)c1F ZINC000029041244 561991131 /nfs/dbraw/zinc/99/11/31/561991131.db2.gz NZUICIGFUCOURS-HXUWFJFHSA-N 1 1 537.571 3.712 1 0 KHAFMO Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CC[NH+]4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041690 561991154 /nfs/dbraw/zinc/99/11/54/561991154.db2.gz FLJKEYOWOUCFNJ-UHFFFAOYSA-N 1 1 516.602 3.740 1 0 KHAFMO Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CC[NH+]3CCOCC3)nc(-c3ccc(C)o3)n2)n1 ZINC000029041700 561991150 /nfs/dbraw/zinc/99/11/50/561991150.db2.gz NJNUNXVUFLFRNF-UHFFFAOYSA-N 1 1 516.602 3.740 1 0 KHAFMO O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1 ZINC000029045268 561992396 /nfs/dbraw/zinc/99/23/96/561992396.db2.gz KJBXOWKVXHJXGA-CYFREDJKSA-N 1 1 515.441 3.810 1 0 KHAFMO O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1 ZINC000029045271 561992411 /nfs/dbraw/zinc/99/24/11/561992411.db2.gz KJBXOWKVXHJXGA-DVECYGJZSA-N 1 1 515.441 3.810 1 0 KHAFMO O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@H]1C[NH+]1CCOCC1 ZINC000029045274 561992427 /nfs/dbraw/zinc/99/24/27/561992427.db2.gz KJBXOWKVXHJXGA-YADARESESA-N 1 1 515.441 3.810 1 0 KHAFMO O=C(Cn1c(=O)cnc2cc(Cl)c(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@H]1C[NH+]1CCOCC1 ZINC000029045276 561992421 /nfs/dbraw/zinc/99/24/21/561992421.db2.gz KJBXOWKVXHJXGA-NTKDMRAZSA-N 1 1 515.441 3.810 1 0 KHAFMO O=C(CN1C(=O)COc2cc(Cl)c(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1 ZINC000029045578 561992498 /nfs/dbraw/zinc/99/24/98/561992498.db2.gz HFKOPAUXFQJXCN-CVDCTZTESA-N 1 1 518.441 3.826 1 0 KHAFMO O=C(CN1C(=O)COc2cc(Cl)c(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1 ZINC000029045581 561992492 /nfs/dbraw/zinc/99/24/92/561992492.db2.gz HFKOPAUXFQJXCN-XXBNENTESA-N 1 1 518.441 3.826 1 0 KHAFMO O=C(CN1C(=O)COc2cc(Cl)c(Cl)cc21)N1CCC[C@@H](c2ccccc2)[C@H]1C[NH+]1CCOCC1 ZINC000029045584 561992468 /nfs/dbraw/zinc/99/24/68/561992468.db2.gz HFKOPAUXFQJXCN-WMZHIEFXSA-N 1 1 518.441 3.826 1 0 KHAFMO O=C(CN1C(=O)COc2cc(Cl)c(Cl)cc21)N1CCC[C@H](c2ccccc2)[C@H]1C[NH+]1CCOCC1 ZINC000029045587 561992477 /nfs/dbraw/zinc/99/24/77/561992477.db2.gz HFKOPAUXFQJXCN-AUSIDOKSSA-N 1 1 518.441 3.826 1 0 KHAFMO CCCn1c2cc(-c3ccc(OCC(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029058129 561995335 /nfs/dbraw/zinc/99/53/35/561995335.db2.gz GOZZQPGHJOJDJZ-UHFFFAOYSA-N 1 1 543.668 3.702 1 0 KHAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CCN1CCc3ccccc3C1)CC[N@@H+](CC1CCCC1)C2 ZINC000029060700 561995637 /nfs/dbraw/zinc/99/56/37/561995637.db2.gz FPEODYSPDCNTCE-UHFFFAOYSA-N 1 1 534.651 3.943 1 0 KHAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CCN1CCc3ccccc3C1)CC[N@H+](CC1CCCC1)C2 ZINC000029060700 561995636 /nfs/dbraw/zinc/99/56/36/561995636.db2.gz FPEODYSPDCNTCE-UHFFFAOYSA-N 1 1 534.651 3.943 1 0 KHAFMO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062572 561996029 /nfs/dbraw/zinc/99/60/29/561996029.db2.gz UWNSOTJULHQSPQ-VWLOTQADSA-N 1 1 519.650 3.812 1 0 KHAFMO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062578 561996035 /nfs/dbraw/zinc/99/60/35/561996035.db2.gz UWNSOTJULHQSPQ-RUZDIDTESA-N 1 1 519.650 3.812 1 0 KHAFMO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123124 561996478 /nfs/dbraw/zinc/99/64/78/561996478.db2.gz NXNJXCTUWIMYCI-UHFFFAOYSA-N 1 1 502.018 3.868 1 0 KHAFMO CC(=O)c1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1 ZINC000029123233 561996591 /nfs/dbraw/zinc/99/65/91/561996591.db2.gz CMYQRXURDLFMIZ-UHFFFAOYSA-N 1 1 523.637 3.807 1 0 KHAFMO CC(=O)c1ccc(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)cc1 ZINC000029123303 561996681 /nfs/dbraw/zinc/99/66/81/561996681.db2.gz MRPVMEUIVKZWQJ-UHFFFAOYSA-N 1 1 541.627 3.946 1 0 KHAFMO CC(=O)c1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)cc1 ZINC000029123615 561996801 /nfs/dbraw/zinc/99/68/01/561996801.db2.gz CTBSZTFABZCLNY-UHFFFAOYSA-N 1 1 541.627 3.946 1 0 KHAFMO CC(C)c1c(-c2nnc(N3CC[NH+](C)CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127876 562000327 /nfs/dbraw/zinc/00/03/27/562000327.db2.gz IHOOKNMBJBLZPJ-UHFFFAOYSA-N 1 1 537.575 3.569 1 0 KHAFMO CN1CC[NH+](CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 ZINC000029128547 562000964 /nfs/dbraw/zinc/00/09/64/562000964.db2.gz BERLNDGSHCXVKP-UHFFFAOYSA-N 1 1 509.014 3.740 1 0 KHAFMO C[C@H](CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2ccnn2)cc(-n2ccnn2)c1 ZINC000029129319 562001815 /nfs/dbraw/zinc/00/18/15/562001815.db2.gz DGYXGFPBBALNKC-IRLDBZIGSA-N 1 1 517.613 3.842 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn53)CCCCC(=O)Nc3cccc(c3)N4)c2)CC1 ZINC000029129509 562001927 /nfs/dbraw/zinc/00/19/27/562001927.db2.gz YCLTVFQQHWLXJF-UHFFFAOYSA-N 1 1 525.617 3.664 1 0 KHAFMO CCc1cc(NC(=O)N[C@H](C)C[C@@H](O)[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129747 562002015 /nfs/dbraw/zinc/00/20/15/562002015.db2.gz HRZQKGGVQGIRFQ-DHTSOJEISA-N 1 1 509.630 3.752 1 0 KHAFMO C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(-c2nnnn2C)c1 ZINC000029129843 562002136 /nfs/dbraw/zinc/00/21/36/562002136.db2.gz YTOIIZAJOYVDMZ-WLENULPWSA-N 1 1 560.472 3.952 1 0 KHAFMO CC(C)[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130145 562002292 /nfs/dbraw/zinc/00/22/92/562002292.db2.gz YXGHCLLTAXLPMG-KSNOWIBYSA-N 1 1 509.630 3.826 1 0 KHAFMO CCC[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130147 562002286 /nfs/dbraw/zinc/00/22/86/562002286.db2.gz YVVCYGCCIFEDCL-QUURXOELSA-N 1 1 509.630 3.970 1 0 KHAFMO C[NH+](C)Cc1nocc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029130324 562002566 /nfs/dbraw/zinc/00/25/66/562002566.db2.gz HKCAMAZWXYAKKV-XSFOEPMVSA-N 1 1 525.027 3.953 1 0 KHAFMO C[NH+](C)Cc1nocc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029130326 562002597 /nfs/dbraw/zinc/00/25/97/562002597.db2.gz HKCAMAZWXYAKKV-LNENJAERSA-N 1 1 525.027 3.953 1 0 KHAFMO C[NH+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029130634 562002697 /nfs/dbraw/zinc/00/26/97/562002697.db2.gz UAMJMVVFCUPWDE-HSZRJFAPSA-N 1 1 542.036 3.963 1 0 KHAFMO C[NH+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029130636 562002720 /nfs/dbraw/zinc/00/27/20/562002720.db2.gz UAMJMVVFCUPWDE-QHCPKHFHSA-N 1 1 542.036 3.963 1 0 KHAFMO CC[N@@H+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131337 562003003 /nfs/dbraw/zinc/00/30/03/562003003.db2.gz CFGCYVFPNYGQNE-XWGMLZDCSA-N 1 1 538.070 3.874 1 0 KHAFMO CC[N@H+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131337 562003002 /nfs/dbraw/zinc/00/30/02/562003002.db2.gz CFGCYVFPNYGQNE-XWGMLZDCSA-N 1 1 538.070 3.874 1 0 KHAFMO CC[N@@H+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131339 562003052 /nfs/dbraw/zinc/00/30/52/562003052.db2.gz CFGCYVFPNYGQNE-CWIMXHLESA-N 1 1 538.070 3.874 1 0 KHAFMO CC[N@H+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131339 562003051 /nfs/dbraw/zinc/00/30/51/562003051.db2.gz CFGCYVFPNYGQNE-CWIMXHLESA-N 1 1 538.070 3.874 1 0 KHAFMO C/C(=C\S(=O)(=O)N[C@@H]1CCN(c2ccc(-n3ccc(C[NH+](C)C)n3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131413 562003007 /nfs/dbraw/zinc/00/30/07/562003007.db2.gz XIEFVSBVWJJLKU-JUWJPQTCSA-N 1 1 538.070 3.874 1 0 KHAFMO C/C(=C\S(=O)(=O)N[C@H]1CCN(c2ccc(-n3ccc(C[NH+](C)C)n3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131415 562003026 /nfs/dbraw/zinc/00/30/26/562003026.db2.gz XIEFVSBVWJJLKU-IQGVVSCOSA-N 1 1 538.070 3.874 1 0 KHAFMO C/C(=C\S(=O)(=O)N[C@@H]1CCN(c2ccc(-n3cnc(C[NH+](C)C)c3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131598 562003186 /nfs/dbraw/zinc/00/31/86/562003186.db2.gz ZJYXWKWXWRLPNP-OCKXMSAZSA-N 1 1 538.070 3.874 1 0 KHAFMO C/C(=C\S(=O)(=O)N[C@H]1CCN(c2ccc(-n3cnc(C[NH+](C)C)c3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131600 562003224 /nfs/dbraw/zinc/00/32/24/562003224.db2.gz ZJYXWKWXWRLPNP-LLLGYDHXSA-N 1 1 538.070 3.874 1 0 KHAFMO Cc1ccc(S(=O)(=O)N2CCC[NH+](Cc3ccccc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CC(CO)C2)cc1 ZINC000029132239 562003268 /nfs/dbraw/zinc/00/32/68/562003268.db2.gz OQEMLTJWSNFEAI-UHFFFAOYSA-N 1 1 599.819 3.890 1 0 KHAFMO Cc1cccc(N(CCO)Cc2ccc3nc(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029133950 562003829 /nfs/dbraw/zinc/00/38/29/562003829.db2.gz USRFZFJWORLWQN-UHFFFAOYSA-N 1 1 544.700 3.935 1 0 KHAFMO Cc1ccc(O)c(Cn2c3cc(CN(CCO)c4ccccc4)ccc3nc2NCCC[NH+]2CCOCC2)n1 ZINC000029133985 562003812 /nfs/dbraw/zinc/00/38/12/562003812.db2.gz OPALYMKZLRAROB-UHFFFAOYSA-N 1 1 530.673 3.627 1 0 KHAFMO CC(=O)Nc1ccc2c(c1)CN[C@@H](C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2 ZINC000029134314 562004075 /nfs/dbraw/zinc/00/40/75/562004075.db2.gz TYZQIZPTTJMOGI-VCLLDZPSSA-N 1 1 506.691 3.805 1 0 KHAFMO Cc1ccc(O)c(Cn2c3cc(CNc4ccccc4CCO)ccc3nc2NCCC[NH+]2CCOCC2)n1 ZINC000029134592 562004203 /nfs/dbraw/zinc/00/42/03/562004203.db2.gz JZQHQULPJVTTRC-UHFFFAOYSA-N 1 1 530.673 3.775 1 0 KHAFMO CCCCC[N@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000029219394 562006977 /nfs/dbraw/zinc/00/69/77/562006977.db2.gz RLDVCAAMMASIOK-ZMKXSNQSSA-N 1 1 514.626 3.846 1 0 KHAFMO O=C1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029221050 562007217 /nfs/dbraw/zinc/00/72/17/562007217.db2.gz PPJODYFRWIXBIM-NKEDMJSUSA-N 1 1 534.616 3.856 1 0 KHAFMO O=S(=O)(c1ccccc1)N1C[C@H](C[NH+]2CCC3(CS(=O)(=O)c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000029222158 562007341 /nfs/dbraw/zinc/00/73/41/562007341.db2.gz BVANZKRFYXZAHF-AZGAKELHSA-N 1 1 536.719 3.912 1 0 KHAFMO O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCC3(CS(=O)(=O)c4ccccc43)CC2)[C@H](c2ccccc2)C1 ZINC000029223048 562007568 /nfs/dbraw/zinc/00/75/68/562007568.db2.gz BVANZKRFYXZAHF-RSXGOPAZSA-N 1 1 536.719 3.912 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029223058 562007559 /nfs/dbraw/zinc/00/75/59/562007559.db2.gz PPJODYFRWIXBIM-PCFFTZKOSA-N 1 1 534.616 3.856 1 0 KHAFMO O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCC3(CS(=O)(=O)c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000029223148 562007612 /nfs/dbraw/zinc/00/76/12/562007612.db2.gz BVANZKRFYXZAHF-AOYPEHQESA-N 1 1 536.719 3.912 1 0 KHAFMO CN1CC[NH+](CCCN2N=C3/C(=C/c4ccc([S@@](C)=O)cc4)CSC[C@@H]3[C@@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000029308540 562011789 /nfs/dbraw/zinc/01/17/89/562011789.db2.gz VQRAMUPQOFYBNQ-SYIPRPIQSA-N 1 1 570.850 3.958 1 0 KHAFMO COc1ccc(OCCCC[N@@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000029315390 562012367 /nfs/dbraw/zinc/01/23/67/562012367.db2.gz NXRXCFXGMTWLJQ-UHFFFAOYSA-N 1 1 500.636 3.829 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342226 562015451 /nfs/dbraw/zinc/01/54/51/562015451.db2.gz JAQCLZBOQNBXAW-IZPBGRRQSA-N 1 1 618.823 3.699 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342230 562015488 /nfs/dbraw/zinc/01/54/88/562015488.db2.gz JAQCLZBOQNBXAW-DEZRIKPSSA-N 1 1 618.823 3.699 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NC1CCCCC1 ZINC000029344236 562015971 /nfs/dbraw/zinc/01/59/71/562015971.db2.gz SCOQFSTUEPROGA-ATIYNZHBSA-N 1 1 571.571 3.614 1 0 KHAFMO COc1ccc(CNC(=O)C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)c(OC)c1OC ZINC000029344649 562016027 /nfs/dbraw/zinc/01/60/27/562016027.db2.gz LYMLWDVLIXWNRH-AYWVHJORSA-N 1 1 669.628 3.507 1 0 KHAFMO O=C(C[C@@H]1S[C@@H](c2ccc(Cl)cc2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388488 562016718 /nfs/dbraw/zinc/01/67/18/562016718.db2.gz KXJBQCVXYDWADS-DHIFEGFHSA-N 1 1 595.165 3.981 1 0 KHAFMO O=C(C[C@@H]1S[C@H](c2ccc(Cl)cc2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388492 562016689 /nfs/dbraw/zinc/01/66/89/562016689.db2.gz KXJBQCVXYDWADS-JTSJOTPCSA-N 1 1 595.165 3.981 1 0 KHAFMO O=C(C[C@H]1S[C@@H](c2ccc(Cl)cc2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388497 562016758 /nfs/dbraw/zinc/01/67/58/562016758.db2.gz KXJBQCVXYDWADS-JOMNFKBKSA-N 1 1 595.165 3.981 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388500 562016753 /nfs/dbraw/zinc/01/67/53/562016753.db2.gz KXJBQCVXYDWADS-DLFZDVPBSA-N 1 1 595.165 3.981 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccccc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388628 562016730 /nfs/dbraw/zinc/01/67/30/562016730.db2.gz ZVSMSAABHWXDNE-DLFZDVPBSA-N 1 1 595.165 3.981 1 0 KHAFMO Cc1ccccc1CNC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000029388646 562016723 /nfs/dbraw/zinc/01/67/23/562016723.db2.gz YEPSPRANSWBNQN-UFHPHHKVSA-N 1 1 593.577 3.789 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccc2[nH]ccc2c1 ZINC000029389137 562016887 /nfs/dbraw/zinc/01/68/87/562016887.db2.gz KCQKMOZSJBWYQI-VAVYLYDRSA-N 1 1 618.587 3.962 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029389779 562016985 /nfs/dbraw/zinc/01/69/85/562016985.db2.gz VIXULTRKHNJGCZ-ANBUJASZSA-N 1 1 593.813 3.608 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000029389782 562017028 /nfs/dbraw/zinc/01/70/28/562017028.db2.gz VIXULTRKHNJGCZ-CDBXIMANSA-N 1 1 593.813 3.608 1 0 KHAFMO O=C(C[C@H]1S[C@H](C2CCCCC2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029390043 562017160 /nfs/dbraw/zinc/01/71/60/562017160.db2.gz CBKJCWSSGNVWCU-DLFZDVPBSA-N 1 1 566.768 3.535 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2cccc(Cl)c2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029390163 562017117 /nfs/dbraw/zinc/01/71/17/562017117.db2.gz SMHZUWBSJWWGFJ-DLFZDVPBSA-N 1 1 595.165 3.981 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)N[C@@H]1CCc2ccccc21 ZINC000029390829 562017294 /nfs/dbraw/zinc/01/72/94/562017294.db2.gz NGJYGTURUWPVEZ-ITLAICGJSA-N 1 1 605.588 3.968 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(F)c1 ZINC000029391208 562017421 /nfs/dbraw/zinc/01/74/21/562017421.db2.gz MSFZNABMDSAKRH-YIXXDRMTSA-N 1 1 597.540 3.620 1 0 KHAFMO CC(C)(C)CCNC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000029391237 562017366 /nfs/dbraw/zinc/01/73/66/562017366.db2.gz FFQVZCLQZUZIOY-PXDATVDWSA-N 1 1 573.587 3.717 1 0 KHAFMO Cc1ccc([C@H]2S[C@H](CC(=O)NCc3cccc4ccccc43)C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000029391947 562017520 /nfs/dbraw/zinc/01/75/20/562017520.db2.gz LRAQMPXGXXDLTA-CYTLCNBWSA-N 1 1 588.774 3.944 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(F)cc2F)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391951 562017516 /nfs/dbraw/zinc/01/75/16/562017516.db2.gz SBMONJIQGAOGFP-DLFZDVPBSA-N 1 1 596.700 3.606 1 0 KHAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccs1 ZINC000029392975 562017781 /nfs/dbraw/zinc/01/77/81/562017781.db2.gz WRTCLZLVQWYNPV-PXDATVDWSA-N 1 1 585.579 3.543 1 0 KHAFMO O=C(C[C@H]1S[C@H](CCc2ccccc2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029393289 562017936 /nfs/dbraw/zinc/01/79/36/562017936.db2.gz MYPQBQACTFIKAP-QLWXXVCSSA-N 1 1 588.774 3.588 1 0 KHAFMO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)N[C@H]2CCc3cc(F)ccc3[C@H]2Cc2cccnc2)CC1 ZINC000029397673 562018977 /nfs/dbraw/zinc/01/89/77/562018977.db2.gz DTAPRSFCLCFHMP-WDYNHAJCSA-N 1 1 514.645 3.801 1 0 KHAFMO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)N[C@H]2CCc3cc(F)ccc3[C@@H]2Cc2cccnc2)CC1 ZINC000029397676 562018970 /nfs/dbraw/zinc/01/89/70/562018970.db2.gz DTAPRSFCLCFHMP-VMPREFPWSA-N 1 1 514.645 3.801 1 0 KHAFMO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)N[C@@H]2CCc3cc(F)ccc3[C@H]2Cc2cccnc2)CC1 ZINC000029397679 562019014 /nfs/dbraw/zinc/01/90/14/562019014.db2.gz DTAPRSFCLCFHMP-FQLXRVMXSA-N 1 1 514.645 3.801 1 0 KHAFMO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)N[C@@H]2CCc3cc(F)ccc3[C@@H]2Cc2cccnc2)CC1 ZINC000029397683 562019042 /nfs/dbraw/zinc/01/90/42/562019042.db2.gz DTAPRSFCLCFHMP-URLMMPGGSA-N 1 1 514.645 3.801 1 0 KHAFMO Cc1cccc(CNC(=O)C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)c1 ZINC000029397837 562019077 /nfs/dbraw/zinc/01/90/77/562019077.db2.gz JJUHEESMLAZPRR-UFHPHHKVSA-N 1 1 593.577 3.789 1 0 KHAFMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029402713 562019983 /nfs/dbraw/zinc/01/99/83/562019983.db2.gz KXSJYPCJIVTKGL-IZLXSDGUSA-N 1 1 500.618 3.872 1 0 KHAFMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029402718 562020022 /nfs/dbraw/zinc/02/00/22/562020022.db2.gz KXSJYPCJIVTKGL-NSOVKSMOSA-N 1 1 500.618 3.872 1 0 KHAFMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029402723 562019999 /nfs/dbraw/zinc/01/99/99/562019999.db2.gz KXSJYPCJIVTKGL-VSGBNLITSA-N 1 1 500.618 3.872 1 0 KHAFMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029402727 562020011 /nfs/dbraw/zinc/02/00/11/562020011.db2.gz KXSJYPCJIVTKGL-WUFINQPMSA-N 1 1 500.618 3.872 1 0 KHAFMO CCOC(=O)C1=C(COCCCN2CC[NH+](C)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029404692 562020408 /nfs/dbraw/zinc/02/04/08/562020408.db2.gz ZEFMQUMWVCIRST-NOGAPMQYSA-N 1 1 506.043 3.785 1 0 KHAFMO CCOC(=O)C1=C(COCCCN2CC[NH+](C)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029404695 562020448 /nfs/dbraw/zinc/02/04/48/562020448.db2.gz ZEFMQUMWVCIRST-LIZHXUNESA-N 1 1 506.043 3.785 1 0 KHAFMO CCN(CC)CC[N@@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029410414 562021605 /nfs/dbraw/zinc/02/16/05/562021605.db2.gz KCBFLYRJTUOCRO-HIYJGCFHSA-N 1 1 540.657 3.820 1 0 KHAFMO CCN(CC)CC[N@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029410414 562021603 /nfs/dbraw/zinc/02/16/03/562021603.db2.gz KCBFLYRJTUOCRO-HIYJGCFHSA-N 1 1 540.657 3.820 1 0 KHAFMO CCN(CC)CC[N@@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000029410417 562021568 /nfs/dbraw/zinc/02/15/68/562021568.db2.gz KCBFLYRJTUOCRO-PFFNZIMVSA-N 1 1 540.657 3.820 1 0 KHAFMO CCN(CC)CC[N@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000029410417 562021566 /nfs/dbraw/zinc/02/15/66/562021566.db2.gz KCBFLYRJTUOCRO-PFFNZIMVSA-N 1 1 540.657 3.820 1 0 KHAFMO O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000029411261 562021718 /nfs/dbraw/zinc/02/17/18/562021718.db2.gz RPKXTHDVAPAPMQ-ZVQIVUKFSA-N 1 1 507.030 3.808 1 0 KHAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)CCN3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412189 562021919 /nfs/dbraw/zinc/02/19/19/562021919.db2.gz NUESWDDVLSAUMU-BLURRDHPSA-N 1 1 552.668 3.964 1 0 KHAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCN3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412189 562021918 /nfs/dbraw/zinc/02/19/18/562021918.db2.gz NUESWDDVLSAUMU-BLURRDHPSA-N 1 1 552.668 3.964 1 0 KHAFMO C[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029466631 562024501 /nfs/dbraw/zinc/02/45/01/562024501.db2.gz UJCFZUSDDLBZTG-YIPNQBBMSA-N 1 1 557.732 3.912 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O ZINC000029467824 562024899 /nfs/dbraw/zinc/02/48/99/562024899.db2.gz HSGWMHCBWWNMPP-HLTGYJCXSA-N 1 1 724.990 3.749 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O ZINC000029467827 562024823 /nfs/dbraw/zinc/02/48/23/562024823.db2.gz HSGWMHCBWWNMPP-NJQBBZKJSA-N 1 1 724.990 3.749 1 0 KHAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)N(C)C ZINC000029481915 562027475 /nfs/dbraw/zinc/02/74/75/562027475.db2.gz KSYCSMCFFBSOBZ-VMPREFPWSA-N 1 1 522.734 3.871 1 0 KHAFMO COc1ccccc1C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1 ZINC000029485217 562028153 /nfs/dbraw/zinc/02/81/53/562028153.db2.gz HIKPFUFQBJEXME-MHZLTWQESA-N 1 1 563.720 3.710 1 0 KHAFMO COc1ccccc1C[NH2+][C@H](COCc1ccccc1)C(=O)N1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1 ZINC000029485221 562028096 /nfs/dbraw/zinc/02/80/96/562028096.db2.gz HIKPFUFQBJEXME-HHHXNRCGSA-N 1 1 563.720 3.710 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)cc1 ZINC000029487451 562028616 /nfs/dbraw/zinc/02/86/16/562028616.db2.gz WLFOHBUNPJCIHP-NDEPHWFRSA-N 1 1 563.720 3.710 1 0 KHAFMO COc1ccc(C[NH2+][C@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)cc1 ZINC000029487454 562028623 /nfs/dbraw/zinc/02/86/23/562028623.db2.gz WLFOHBUNPJCIHP-MUUNZHRXSA-N 1 1 563.720 3.710 1 0 KHAFMO COc1cccc(C[NH2+][C@@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c1 ZINC000029488088 562028824 /nfs/dbraw/zinc/02/88/24/562028824.db2.gz XZTMOOCLEHYJRB-NDEPHWFRSA-N 1 1 563.720 3.710 1 0 KHAFMO COc1cccc(C[NH2+][C@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c1 ZINC000029488091 562028819 /nfs/dbraw/zinc/02/88/19/562028819.db2.gz XZTMOOCLEHYJRB-MUUNZHRXSA-N 1 1 563.720 3.710 1 0 KHAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3cccc(F)c3)CC2)c2ccccc21 ZINC000029489430 562029121 /nfs/dbraw/zinc/02/91/21/562029121.db2.gz KMSKXJPLTGSPJJ-HHHXNRCGSA-N 1 1 551.684 3.841 1 0 KHAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3cccc(F)c3)CC2)c2ccccc21 ZINC000029489433 562029130 /nfs/dbraw/zinc/02/91/30/562029130.db2.gz KMSKXJPLTGSPJJ-MHZLTWQESA-N 1 1 551.684 3.841 1 0 KHAFMO CCc1ccc(CC[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)s1 ZINC000029559189 562032670 /nfs/dbraw/zinc/03/26/70/562032670.db2.gz XWDZZONMJRJYLZ-PCYHVKPNSA-N 1 1 690.973 3.664 1 0 KHAFMO CCOc1c2c(c(N)c(OCC)c1OCC)C(=O)O[C@@H]2[C@H]1c2c(cc(OC)c(OC)c2OC)CC[N@@H+]1C ZINC000031477045 562036237 /nfs/dbraw/zinc/03/62/37/562036237.db2.gz FPSZSEINEGCRIJ-IRLDBZIGSA-N 1 1 516.591 3.931 1 0 in-man KHAFMO CCOc1c2c(c(N)c(OCC)c1OCC)C(=O)O[C@@H]2[C@H]1c2c(cc(OC)c(OC)c2OC)CC[N@H+]1C ZINC000031477045 562036236 /nfs/dbraw/zinc/03/62/36/562036236.db2.gz FPSZSEINEGCRIJ-IRLDBZIGSA-N 1 1 516.591 3.931 1 0 in-man KHAFMO CC1(C)C/N=C/[C@@](C)(OCc2ccccc2)C(=O)NC(C)(C)C/[NH+]=C/[C@](C)(OCc2ccccc2)C(=O)N1 ZINC000031851342 562036414 /nfs/dbraw/zinc/03/64/14/562036414.db2.gz SEGFYKICHJQPLU-UWNGYHDTSA-N 1 1 520.674 3.882 1 0 KHAFMO COC(=O)C[C@]1(OC(=O)[C@H]2C(OC)=C[C@]34CCC[N@@H+]3CCCc3cc5c(cc3[C@@H]24)OCO5)CCC(C)(C)O1 ZINC000033832245 560088387 /nfs/dbraw/zinc/08/83/87/560088387.db2.gz QJMZIBVOUKSWIL-NSIYGSDQSA-N 1 1 527.614 3.831 1 0 biogenic,in-vitro KHAFMO Cn1cc(C(=O)NCc2ccc(Br)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000034326933 562038790 /nfs/dbraw/zinc/03/87/90/562038790.db2.gz QDYJJNQPXFTLPX-HXUWFJFHSA-N 1 1 514.376 3.582 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(Br)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000034326933 562038789 /nfs/dbraw/zinc/03/87/89/562038789.db2.gz QDYJJNQPXFTLPX-HXUWFJFHSA-N 1 1 514.376 3.582 1 0 KHAFMO COCCNC(=O)C[NH+]1CCC(Oc2cc3c(cc2OC)ncnc3Nc2cccc(Cl)c2F)CC1 ZINC000034534932 562038995 /nfs/dbraw/zinc/03/89/95/562038995.db2.gz BTLOEEXILKUGRC-UHFFFAOYSA-N 1 1 517.989 3.780 1 0 KHAFMO COc1ccc2ncc(F)c(CC[N@H+]3C[C@@H]4CCC[C@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000034608698 562039222 /nfs/dbraw/zinc/03/92/22/562039222.db2.gz SRAVTNUCBHQYLG-SOKVYYICSA-N 1 1 522.650 3.651 1 0 KHAFMO COc1ccc2ncc(F)c(CC[N@H+]3C[C@H]4CCC[C@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000034608699 562039295 /nfs/dbraw/zinc/03/92/95/562039295.db2.gz SRAVTNUCBHQYLG-CRYYWNKWSA-N 1 1 522.650 3.651 1 0 KHAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034802971 562042362 /nfs/dbraw/zinc/04/23/62/562042362.db2.gz KALSMXLQRKFVPO-GOSISDBHSA-N 1 1 567.597 3.790 1 0 KHAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034802974 562042299 /nfs/dbraw/zinc/04/22/99/562042299.db2.gz KALSMXLQRKFVPO-SFHVURJKSA-N 1 1 567.597 3.790 1 0 KHAFMO CC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803006 562042288 /nfs/dbraw/zinc/04/22/88/562042288.db2.gz CNWZWPQCJCOBHA-UHFFFAOYSA-N 1 1 525.560 3.639 1 0 KHAFMO O=C(Cc1cc(Nc2ncnc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc32)n[nH]1)Nc1cccc(F)c1F ZINC000034803013 562042357 /nfs/dbraw/zinc/04/23/57/562042357.db2.gz ZNGNLXZBVWXEKM-GOSISDBHSA-N 1 1 537.571 3.782 1 0 KHAFMO CC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC ZINC000034803020 562042312 /nfs/dbraw/zinc/04/23/12/562042312.db2.gz HOHHMYNNRAVKQB-UHFFFAOYSA-N 1 1 537.596 3.509 1 0 KHAFMO CCC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803023 562042476 /nfs/dbraw/zinc/04/24/76/562042476.db2.gz XQWUFPUUHVVAIM-UHFFFAOYSA-N 1 1 521.597 3.890 1 0 KHAFMO O=C(Cc1cc(Nc2ncnc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc32)n[nH]1)Nc1cccc(F)c1 ZINC000034803027 562042448 /nfs/dbraw/zinc/04/24/48/562042448.db2.gz WWZCTHYYRVAJIG-OAQYLSRUSA-N 1 1 519.581 3.642 1 0 KHAFMO CCC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC ZINC000034803032 562042481 /nfs/dbraw/zinc/04/24/81/562042481.db2.gz JCXULQAGBNATOH-UHFFFAOYSA-N 1 1 551.623 3.899 1 0 KHAFMO CC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC ZINC000034803035 562042458 /nfs/dbraw/zinc/04/24/58/562042458.db2.gz YOZAGBCKIMCHID-UHFFFAOYSA-N 1 1 555.586 3.648 1 0 KHAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@@H]1CO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803048 562042455 /nfs/dbraw/zinc/04/24/55/562042455.db2.gz SQYOZDZCDXQDRZ-OAQYLSRUSA-N 1 1 549.607 3.651 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000034804764 562043278 /nfs/dbraw/zinc/04/32/78/562043278.db2.gz ACOYYVDPMMDIFE-HSZRJFAPSA-N 1 1 614.694 3.618 1 0 KHAFMO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000034804769 562043312 /nfs/dbraw/zinc/04/33/12/562043312.db2.gz ACOYYVDPMMDIFE-QHCPKHFHSA-N 1 1 614.694 3.618 1 0 KHAFMO CCn1c2c(C(=O)Nc3cc(Cl)ccc3OC)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871688 562043776 /nfs/dbraw/zinc/04/37/76/562043776.db2.gz HMHBYMJSRBPYSY-UHFFFAOYSA-N 1 1 522.005 3.997 1 0 KHAFMO CCn1c2c(C(=O)Nc3cc(Cl)ccc3OC)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871688 562043774 /nfs/dbraw/zinc/04/37/74/562043774.db2.gz HMHBYMJSRBPYSY-UHFFFAOYSA-N 1 1 522.005 3.997 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CCN(CC)C3=O)C2)CC1 ZINC000034946515 562044067 /nfs/dbraw/zinc/04/40/67/562044067.db2.gz VMBUAYWUULGJMP-MHZLTWQESA-N 1 1 511.692 3.982 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CCN(CC)C3=O)C2)CC1 ZINC000034946517 562044063 /nfs/dbraw/zinc/04/40/63/562044063.db2.gz VMBUAYWUULGJMP-HHHXNRCGSA-N 1 1 511.692 3.982 1 0 KHAFMO CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000034946614 562044003 /nfs/dbraw/zinc/04/40/03/562044003.db2.gz MTMMBYUKMHJTRK-MHZLTWQESA-N 1 1 511.692 3.980 1 0 KHAFMO CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000034946616 562044035 /nfs/dbraw/zinc/04/40/35/562044035.db2.gz MTMMBYUKMHJTRK-HHHXNRCGSA-N 1 1 511.692 3.980 1 0 KHAFMO O=C(CCc1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000035050545 562044475 /nfs/dbraw/zinc/04/44/75/562044475.db2.gz WYSHZXGBFZDQRH-FQYQUSJJSA-N 1 1 507.030 3.936 1 0 KHAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)Cc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050560 562044555 /nfs/dbraw/zinc/04/45/55/562044555.db2.gz FFDBZKOGLUZBID-FQYQUSJJSA-N 1 1 507.030 3.848 1 0 KHAFMO O=C(C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089236 562046793 /nfs/dbraw/zinc/04/67/93/562046793.db2.gz HSHZHZBGDQDOAU-AREMUKBSSA-N 1 1 561.646 3.942 1 0 KHAFMO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@H+]2CC(N)=O)cc(C(C)=O)c1 ZINC000036093270 562047192 /nfs/dbraw/zinc/04/71/92/562047192.db2.gz BRTWZDQCGNRNRK-LVXARBLLSA-N 1 1 510.610 3.941 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](CCCC(F)(F)F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036140200 562047883 /nfs/dbraw/zinc/04/78/83/562047883.db2.gz JEVLPPLIQZOIOE-YGWVCABGSA-N 1 1 632.768 3.614 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CCCC(F)(F)F)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036140200 562047881 /nfs/dbraw/zinc/04/78/81/562047881.db2.gz JEVLPPLIQZOIOE-YGWVCABGSA-N 1 1 632.768 3.614 1 0 KHAFMO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCC[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000036184933 562050677 /nfs/dbraw/zinc/05/06/77/562050677.db2.gz PEXVJRSYTQCVFU-UHFFFAOYSA-N 1 1 578.735 3.782 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH3+])c1nc2ccccc2[nH]1 ZINC000036216294 562051311 /nfs/dbraw/zinc/05/13/11/562051311.db2.gz GDHJQGJCKHJHHZ-NSGJQZOKSA-N 1 1 568.722 3.695 1 0 in-vivo KHAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2(N)CCc3ccccc32)CC1 ZINC000036269859 562053071 /nfs/dbraw/zinc/05/30/71/562053071.db2.gz QTUAHMLSKYOMMA-OHTRWLLASA-N 1 1 629.249 3.919 1 0 KHAFMO CC(C)Cc1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000036289067 562054804 /nfs/dbraw/zinc/05/48/04/562054804.db2.gz HBPZKGXSSLBHMF-HXUWFJFHSA-N 1 1 541.624 3.789 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)COC(=O)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331151 562056249 /nfs/dbraw/zinc/05/62/49/562056249.db2.gz SNDJSYLZGTZNMH-KEYQRKJSSA-N 1 1 582.650 3.903 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(=O)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331155 562056233 /nfs/dbraw/zinc/05/62/33/562056233.db2.gz SNDJSYLZGTZNMH-HXMHSTOVSA-N 1 1 582.650 3.903 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1CC[C@@]2(C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331167 562056240 /nfs/dbraw/zinc/05/62/40/562056240.db2.gz WFRDGWAGSDBCCV-LICMTIEISA-N 1 1 640.730 3.863 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331171 562056209 /nfs/dbraw/zinc/05/62/09/562056209.db2.gz WFRDGWAGSDBCCV-LJNRZNKNSA-N 1 1 640.730 3.863 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331234 562056331 /nfs/dbraw/zinc/05/63/31/562056331.db2.gz KSHVXDGRNDIMQZ-LICMTIEISA-N 1 1 640.730 3.863 1 0 KHAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000036351474 562058341 /nfs/dbraw/zinc/05/83/41/562058341.db2.gz UFQHJBUUPWHGOJ-RPWUZVMVSA-N 1 1 518.580 3.637 1 0 KHAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)C1 ZINC000036351475 562058329 /nfs/dbraw/zinc/05/83/29/562058329.db2.gz UFQHJBUUPWHGOJ-ZEQRLZLVSA-N 1 1 518.580 3.637 1 0 KHAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc(S(C)(=O)=O)cc3C2)CC1 ZINC000036351879 562059363 /nfs/dbraw/zinc/05/93/63/562059363.db2.gz MYEOJRGKSYQHCN-JOCHJYFZSA-N 1 1 537.101 3.912 1 0 KHAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc(S(C)(=O)=O)cc3C2)CC1 ZINC000036351880 562059394 /nfs/dbraw/zinc/05/93/94/562059394.db2.gz MYEOJRGKSYQHCN-QFIPXVFZSA-N 1 1 537.101 3.912 1 0 KHAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc(NS(C)(=O)=O)cc3C2)CC1 ZINC000036351904 562059313 /nfs/dbraw/zinc/05/93/13/562059313.db2.gz YTYIMMOQOXMONI-HSZRJFAPSA-N 1 1 552.116 3.880 1 0 KHAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc(NS(C)(=O)=O)cc3C2)CC1 ZINC000036351905 562059435 /nfs/dbraw/zinc/05/94/35/562059435.db2.gz YTYIMMOQOXMONI-QHCPKHFHSA-N 1 1 552.116 3.880 1 0 KHAFMO CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351918 562059566 /nfs/dbraw/zinc/05/95/66/562059566.db2.gz CJUIALFFVKEFNM-HSZRJFAPSA-N 1 1 566.143 3.758 1 0 KHAFMO CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351919 562059544 /nfs/dbraw/zinc/05/95/44/562059544.db2.gz CJUIALFFVKEFNM-QHCPKHFHSA-N 1 1 566.143 3.758 1 0 KHAFMO CC(C)CCN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150634 562066296 /nfs/dbraw/zinc/06/62/96/562066296.db2.gz YCZLRPWCDVKCFZ-RRPNLBNLSA-N 1 1 537.701 3.937 1 0 KHAFMO CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000038156531 562068292 /nfs/dbraw/zinc/06/82/92/562068292.db2.gz ZWQVPYSLJDIXJY-UHFFFAOYSA-N 1 1 514.655 3.882 1 0 KHAFMO N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000038320259 562070943 /nfs/dbraw/zinc/07/09/43/562070943.db2.gz DYRFYKOYSPZJNA-RIACCQAKSA-N 1 1 526.678 3.633 1 0 KHAFMO N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@H]1CCc2cc(O)ccc2[C@@H]1Cc1cccnc1 ZINC000038320261 562070933 /nfs/dbraw/zinc/07/09/33/562070933.db2.gz DYRFYKOYSPZJNA-LNBJVWSJSA-N 1 1 526.678 3.633 1 0 KHAFMO N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000038320263 562070920 /nfs/dbraw/zinc/07/09/20/562070920.db2.gz DYRFYKOYSPZJNA-GEWUYGHSSA-N 1 1 526.678 3.633 1 0 KHAFMO N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C[NH2+][C@H]1CCc2cc(O)ccc2[C@H]1Cc1cccnc1 ZINC000038320265 562070957 /nfs/dbraw/zinc/07/09/57/562070957.db2.gz DYRFYKOYSPZJNA-RWUBSVTLSA-N 1 1 526.678 3.633 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000038391433 562071866 /nfs/dbraw/zinc/07/18/66/562071866.db2.gz QYKXRNKCUCHMEN-HXUWFJFHSA-N 1 1 503.477 3.839 1 0 KHAFMO Cn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000038391433 562071865 /nfs/dbraw/zinc/07/18/65/562071865.db2.gz QYKXRNKCUCHMEN-HXUWFJFHSA-N 1 1 503.477 3.839 1 0 KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3C(=CC=C[N@@H+]3CCCO)C=C2)cc1 ZINC000038408242 562071853 /nfs/dbraw/zinc/07/18/53/562071853.db2.gz BSWXEYZBVSQHOV-QLWXXVCSSA-N 1 1 587.717 3.963 1 0 in-vitro KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3C(=CC=C[N@@H+]3CCCO)C=C2)cc1 ZINC000038408243 562071844 /nfs/dbraw/zinc/07/18/44/562071844.db2.gz BSWXEYZBVSQHOV-PPTMTGTBSA-N 1 1 587.717 3.963 1 0 in-vitro KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc(Cl)c1)N(C)[C@H]2c1cccc(Cl)c1 ZINC000038578657 562072144 /nfs/dbraw/zinc/07/21/44/562072144.db2.gz MIZNBULCYIWDBH-OTLGMJNYSA-N 1 1 505.398 3.555 1 0 KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1cccc(Cl)c1)N(C)[C@@H]2c1cccc(Cl)c1 ZINC000038578658 562072132 /nfs/dbraw/zinc/07/21/32/562072132.db2.gz MIZNBULCYIWDBH-YQXZIBMNSA-N 1 1 505.398 3.555 1 0 KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000038853153 562072403 /nfs/dbraw/zinc/07/24/03/562072403.db2.gz MUNCDYSDMHCDQC-YQXZIBMNSA-N 1 1 505.398 3.555 1 0 KHAFMO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)([C@@H]2CCCC[N@H+]2C)CC1 ZINC000040391619 562073693 /nfs/dbraw/zinc/07/36/93/562073693.db2.gz IEXOGVRKQGANHX-FQEVSTJZSA-N 1 1 505.603 3.621 1 0 KHAFMO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)([C@H]2CCCC[N@H+]2C)CC1 ZINC000040391622 562073676 /nfs/dbraw/zinc/07/36/76/562073676.db2.gz IEXOGVRKQGANHX-HXUWFJFHSA-N 1 1 505.603 3.621 1 0 KHAFMO COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000040392065 562073669 /nfs/dbraw/zinc/07/36/69/562073669.db2.gz MJBOSKJANLJEQK-DQSJHHFOSA-N 1 1 525.609 3.592 1 0 KHAFMO COc1ccc(Cn2c(Br)c(Br)cc2C(=O)NCCCc2c[nH]c(N)[nH+]2)cc1 ZINC000040394784 562074333 /nfs/dbraw/zinc/07/43/33/562074333.db2.gz ISWQYWXRNFAUCR-UHFFFAOYSA-N 1 1 511.218 3.738 1 0 KHAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4([N@@H+](C)CC(N)=O)CC4)cc2)CC3)cc1 ZINC000040395089 562074369 /nfs/dbraw/zinc/07/43/69/562074369.db2.gz SUUYGVZDOSDXKF-UHFFFAOYSA-N 1 1 513.520 3.509 1 0 KHAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4([N@H+](C)CC(N)=O)CC4)cc2)CC3)cc1 ZINC000040395089 562074368 /nfs/dbraw/zinc/07/43/68/562074368.db2.gz SUUYGVZDOSDXKF-UHFFFAOYSA-N 1 1 513.520 3.509 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccccc2C)CC1 ZINC000040413994 562075568 /nfs/dbraw/zinc/07/55/68/562075568.db2.gz WFGHJFVEEIXRGO-JOCHJYFZSA-N 1 1 506.672 3.853 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccccc2C)CC1 ZINC000040413997 562075641 /nfs/dbraw/zinc/07/56/41/562075641.db2.gz WFGHJFVEEIXRGO-QFIPXVFZSA-N 1 1 506.672 3.853 1 0 KHAFMO CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000040421668 562075700 /nfs/dbraw/zinc/07/57/00/562075700.db2.gz BRCVIAIMZSNCOG-DHGWECEMSA-N 1 1 504.602 3.636 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCC[NH2+]CCCc2ccccc2)CC1 ZINC000040421712 562075757 /nfs/dbraw/zinc/07/57/57/562075757.db2.gz AYEILUFTEVTKGP-UHFFFAOYSA-N 1 1 531.097 3.671 1 0 KHAFMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040430359 562076751 /nfs/dbraw/zinc/07/67/51/562076751.db2.gz YHPAJLKMWLZGMO-CALCHBBNSA-N 1 1 508.648 4.120 1 0 KHAFMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040430359 562076749 /nfs/dbraw/zinc/07/67/49/562076749.db2.gz YHPAJLKMWLZGMO-CALCHBBNSA-N 1 1 508.648 4.120 1 0 KHAFMO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040430361 562076837 /nfs/dbraw/zinc/07/68/37/562076837.db2.gz YHPAJLKMWLZGMO-IRXDYDNUSA-N 1 1 508.648 4.120 1 0 KHAFMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040430363 562076856 /nfs/dbraw/zinc/07/68/56/562076856.db2.gz YHPAJLKMWLZGMO-IAGOWNOFSA-N 1 1 508.648 4.120 1 0 KHAFMO C[C@@H]1CN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000040457085 562077118 /nfs/dbraw/zinc/07/71/18/562077118.db2.gz VIKGOSVYIHJCQR-BVAGGSTKSA-N 1 1 507.642 3.774 1 0 KHAFMO C[C@@H]1CN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000040457085 562077116 /nfs/dbraw/zinc/07/71/16/562077116.db2.gz VIKGOSVYIHJCQR-BVAGGSTKSA-N 1 1 507.642 3.774 1 0 KHAFMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000040457085 562077114 /nfs/dbraw/zinc/07/71/14/562077114.db2.gz VIKGOSVYIHJCQR-BVAGGSTKSA-N 1 1 507.642 3.774 1 0 KHAFMO C[C@H]1CN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@H+]1C(c1ccccc1)c1ccccc1 ZINC000040457086 562077161 /nfs/dbraw/zinc/07/71/61/562077161.db2.gz VIKGOSVYIHJCQR-OZXSUGGESA-N 1 1 507.642 3.774 1 0 KHAFMO C[C@H]1CN(C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000040457086 562077159 /nfs/dbraw/zinc/07/71/59/562077159.db2.gz VIKGOSVYIHJCQR-OZXSUGGESA-N 1 1 507.642 3.774 1 0 KHAFMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cnc3c2ncnc3-n2cccc2)CCN1C(c1ccccc1)c1ccccc1 ZINC000040457086 562077157 /nfs/dbraw/zinc/07/71/57/562077157.db2.gz VIKGOSVYIHJCQR-OZXSUGGESA-N 1 1 507.642 3.774 1 0 KHAFMO C[N@@H+](CCO[C@@H](c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000040466848 562077328 /nfs/dbraw/zinc/07/73/28/562077328.db2.gz VWGAFAHXMZKFNB-SANMLTNESA-N 1 1 531.700 3.710 1 0 KHAFMO C[N@@H+](CCO[C@H](c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000040466849 562077360 /nfs/dbraw/zinc/07/73/60/562077360.db2.gz VWGAFAHXMZKFNB-AREMUKBSSA-N 1 1 531.700 3.710 1 0 KHAFMO CCO[C@]1(C)CC[N@H+]2C[C@@]34C[C@@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000040724232 562079203 /nfs/dbraw/zinc/07/92/03/562079203.db2.gz VGSHAQPNELLPIN-NRDOIZLRSA-N 1 1 521.658 3.840 1 0 KHAFMO O=c1[nH]c2c(s1)c(CC[NH2+]CCCS(=O)(=O)CCOCCc1cccc3ccccc31)ccc2O ZINC000040784586 562079666 /nfs/dbraw/zinc/07/96/66/562079666.db2.gz AAZOUMYVCNRDMB-UHFFFAOYSA-N 1 1 514.669 3.645 1 0 KHAFMO Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2-c2ccc(C[N@H+]3C[C@@H](C)N[C@@H](C)C3)cc2)cc1 ZINC000040874010 562081783 /nfs/dbraw/zinc/08/17/83/562081783.db2.gz PNXPQZMNXZNIIY-PSWAGMNNSA-N 1 1 534.726 3.781 1 0 KHAFMO Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2-c2ccc(C[N@@H+]3C[C@@H](C)N[C@@H](C)C3)cc2)cc1 ZINC000040874010 562081781 /nfs/dbraw/zinc/08/17/81/562081781.db2.gz PNXPQZMNXZNIIY-PSWAGMNNSA-N 1 1 534.726 3.781 1 0 KHAFMO COc1cc(C)c(N(C)C(=O)C[NH+](C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000040875003 562082017 /nfs/dbraw/zinc/08/20/17/562082017.db2.gz ZUXJDKZUOTZPMQ-UHFFFAOYSA-N 1 1 520.569 3.525 1 0 KHAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3CN(C)C(=O)CS(=O)(=O)c3ccccc3)cc2)C[C@H](C)N1 ZINC000040876933 562082260 /nfs/dbraw/zinc/08/22/60/562082260.db2.gz OQGNJLWZKFTRPB-ZRZAMGCNSA-N 1 1 505.684 3.968 1 0 KHAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3CN(C)C(=O)CS(=O)(=O)c3ccccc3)cc2)C[C@H](C)N1 ZINC000040876933 562082258 /nfs/dbraw/zinc/08/22/58/562082258.db2.gz OQGNJLWZKFTRPB-ZRZAMGCNSA-N 1 1 505.684 3.968 1 0 KHAFMO COc1cccc(-c2c(F)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000040877342 562082252 /nfs/dbraw/zinc/08/22/52/562082252.db2.gz OXPSFWNPDGNKGD-UHFFFAOYSA-N 1 1 524.543 3.721 1 0 KHAFMO COc1cc(C)c(NC(=O)C[NH+](C)C)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000040878977 562082455 /nfs/dbraw/zinc/08/24/55/562082455.db2.gz IKWHWJFNGWUVIJ-UHFFFAOYSA-N 1 1 506.542 3.500 1 0 KHAFMO O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000040892665 562082903 /nfs/dbraw/zinc/08/29/03/562082903.db2.gz NAALUTWMVSSPHM-ODWVLBEOSA-N 1 1 507.030 3.808 1 0 KHAFMO Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CC[NH+]2CCOCC2)o1 ZINC000040899308 562083336 /nfs/dbraw/zinc/08/33/36/562083336.db2.gz ASRPLHQXFWEEDQ-UHFFFAOYSA-N 1 1 507.982 3.960 1 0 KHAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1ccc(CN3CCOCC3)cc1)C2 ZINC000040915013 562083852 /nfs/dbraw/zinc/08/38/52/562083852.db2.gz IVYWWOIAJZYOGG-HOMRVSDPSA-N 1 1 520.670 3.912 1 0 KHAFMO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)C[C@H](C)[N@@H+]1C ZINC000040918024 562084194 /nfs/dbraw/zinc/08/41/94/562084194.db2.gz TZBBCVNTEOGGFB-UJUSGVOUSA-N 1 1 516.383 3.543 1 0 KHAFMO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)[C@@H](C)C[N@H+]1C ZINC000040918164 562084174 /nfs/dbraw/zinc/08/41/74/562084174.db2.gz GYOIHPKEERLONR-QIXNDGFNSA-N 1 1 516.383 3.543 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040933441 562084567 /nfs/dbraw/zinc/08/45/67/562084567.db2.gz HJYMHTFRYBMHRW-VPUSJEBWSA-N 1 1 530.625 3.692 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040933443 562084591 /nfs/dbraw/zinc/08/45/91/562084591.db2.gz HJYMHTFRYBMHRW-BDYUSTAISA-N 1 1 530.625 3.692 1 0 KHAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncc(C(N)=O)c2Nc1ccc(F)c(Cl)c1 ZINC000040933473 562084607 /nfs/dbraw/zinc/08/46/07/562084607.db2.gz YWVGLEXQTHLLMP-UHFFFAOYSA-N 1 1 501.990 3.895 1 0 KHAFMO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](CCO)CC1 ZINC000040934177 562084706 /nfs/dbraw/zinc/08/47/06/562084706.db2.gz MIQDNGLZJOHMLQ-UHFFFAOYSA-N 1 1 504.418 3.897 1 0 KHAFMO COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000040934575 562084854 /nfs/dbraw/zinc/08/48/54/562084854.db2.gz CYOGHJXLSFPFGI-UHFFFAOYSA-N 1 1 501.990 3.895 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040937619 562085410 /nfs/dbraw/zinc/08/54/10/562085410.db2.gz HDOWJYBFOJMBGR-OAQYLSRUSA-N 1 1 529.563 3.766 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040937621 562085419 /nfs/dbraw/zinc/08/54/19/562085419.db2.gz HDOWJYBFOJMBGR-NRFANRHFSA-N 1 1 529.563 3.766 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040938030 562085381 /nfs/dbraw/zinc/08/53/81/562085381.db2.gz RRLXSIFLLHLJCG-QHCPKHFHSA-N 1 1 504.631 3.919 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040938032 562085367 /nfs/dbraw/zinc/08/53/67/562085367.db2.gz RRLXSIFLLHLJCG-HSZRJFAPSA-N 1 1 504.631 3.919 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccccc2OC)CC1 ZINC000040938049 562085435 /nfs/dbraw/zinc/08/54/35/562085435.db2.gz YGGUOFILBDFNBU-OAQYLSRUSA-N 1 1 522.671 3.553 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccccc2OC)CC1 ZINC000040938051 562085363 /nfs/dbraw/zinc/08/53/63/562085363.db2.gz YGGUOFILBDFNBU-NRFANRHFSA-N 1 1 522.671 3.553 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000040938413 562085534 /nfs/dbraw/zinc/08/55/34/562085534.db2.gz MZPBAHVERCFYQP-HSZRJFAPSA-N 1 1 535.714 3.610 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000040938415 562085494 /nfs/dbraw/zinc/08/54/94/562085494.db2.gz MZPBAHVERCFYQP-QHCPKHFHSA-N 1 1 535.714 3.610 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040938483 562085487 /nfs/dbraw/zinc/08/54/87/562085487.db2.gz BJUFUOFWLFOQRP-HXUWFJFHSA-N 1 1 513.063 3.808 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040938485 562085538 /nfs/dbraw/zinc/08/55/38/562085538.db2.gz BJUFUOFWLFOQRP-FQEVSTJZSA-N 1 1 513.063 3.808 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000040938637 562085510 /nfs/dbraw/zinc/08/55/10/562085510.db2.gz XHAGECLWGNNCOS-JOCHJYFZSA-N 1 1 510.038 3.790 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000040938639 562085526 /nfs/dbraw/zinc/08/55/26/562085526.db2.gz XHAGECLWGNNCOS-QFIPXVFZSA-N 1 1 510.038 3.790 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C)cc2)CC1 ZINC000040939779 562085671 /nfs/dbraw/zinc/08/56/71/562085671.db2.gz YJLVXTSIOVEVBB-JOCHJYFZSA-N 1 1 506.672 3.853 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C)cc2)CC1 ZINC000040939781 562085661 /nfs/dbraw/zinc/08/56/61/562085661.db2.gz YJLVXTSIOVEVBB-QFIPXVFZSA-N 1 1 506.672 3.853 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040940243 562085736 /nfs/dbraw/zinc/08/57/36/562085736.db2.gz BGNGCXHNJYHBOE-DEOSSOPVSA-N 1 1 503.647 3.870 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040940245 562085750 /nfs/dbraw/zinc/08/57/50/562085750.db2.gz BGNGCXHNJYHBOE-XMMPIXPASA-N 1 1 503.647 3.870 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000040940445 562085804 /nfs/dbraw/zinc/08/58/04/562085804.db2.gz JWLRPSUGOYXQHY-OAQYLSRUSA-N 1 1 511.022 3.839 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000040940447 562085800 /nfs/dbraw/zinc/08/58/00/562085800.db2.gz JWLRPSUGOYXQHY-NRFANRHFSA-N 1 1 511.022 3.839 1 0 KHAFMO C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955228 562086550 /nfs/dbraw/zinc/08/65/50/562086550.db2.gz PLHLUTRXYOYAMQ-UHFFFAOYSA-N 1 1 515.643 4.538 1 0 KHAFMO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(C)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000040956178 562086555 /nfs/dbraw/zinc/08/65/55/562086555.db2.gz BNWLQLSZHBDWOI-DEOSSOPVSA-N 1 1 529.704 3.964 1 0 KHAFMO COc1cc2nc(N3CCC([N@H+]4CCO[C@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972980 562086950 /nfs/dbraw/zinc/08/69/50/562086950.db2.gz JHZGCUVRJZBRDR-FQEVSTJZSA-N 1 1 514.026 3.706 1 0 KHAFMO COc1cc2nc(N3CCC([N@@H+]4CCO[C@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972980 562086949 /nfs/dbraw/zinc/08/69/49/562086949.db2.gz JHZGCUVRJZBRDR-FQEVSTJZSA-N 1 1 514.026 3.706 1 0 KHAFMO COc1cc2nc(N3CCC([N@H+]4CCO[C@@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972982 562086962 /nfs/dbraw/zinc/08/69/62/562086962.db2.gz JHZGCUVRJZBRDR-HXUWFJFHSA-N 1 1 514.026 3.706 1 0 KHAFMO COc1cc2nc(N3CCC([N@@H+]4CCO[C@@H](CO)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040972982 562086961 /nfs/dbraw/zinc/08/69/61/562086961.db2.gz JHZGCUVRJZBRDR-HXUWFJFHSA-N 1 1 514.026 3.706 1 0 KHAFMO CCC[N@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803653 562088313 /nfs/dbraw/zinc/08/83/13/562088313.db2.gz INPOAGGWPPCRMS-BJKOFHAPSA-N 1 1 594.704 3.667 1 0 KHAFMO CCC[N@@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803653 562088311 /nfs/dbraw/zinc/08/83/11/562088311.db2.gz INPOAGGWPPCRMS-BJKOFHAPSA-N 1 1 594.704 3.667 1 0 KHAFMO CCC[N@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803658 562088383 /nfs/dbraw/zinc/08/83/83/562088383.db2.gz INPOAGGWPPCRMS-DNQXCXABSA-N 1 1 594.704 3.667 1 0 KHAFMO CCC[N@@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000042803658 562088381 /nfs/dbraw/zinc/08/83/81/562088381.db2.gz INPOAGGWPPCRMS-DNQXCXABSA-N 1 1 594.704 3.667 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)N([C@@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803786 562088483 /nfs/dbraw/zinc/08/84/83/562088483.db2.gz QRJJCBBIBWLHCC-WDYNHAJCSA-N 1 1 614.743 3.728 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)N([C@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803791 562088447 /nfs/dbraw/zinc/08/84/47/562088447.db2.gz QRJJCBBIBWLHCC-FQLXRVMXSA-N 1 1 614.743 3.728 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)N([C@@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803796 562088438 /nfs/dbraw/zinc/08/84/38/562088438.db2.gz QRJJCBBIBWLHCC-VMPREFPWSA-N 1 1 614.743 3.728 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)N([C@H](CC)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000042803801 562088434 /nfs/dbraw/zinc/08/84/34/562088434.db2.gz QRJJCBBIBWLHCC-URLMMPGGSA-N 1 1 614.743 3.728 1 0 KHAFMO CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CCc2ccccc2)[C@H]1O5 ZINC000042806438 562089686 /nfs/dbraw/zinc/08/96/86/562089686.db2.gz YUQGCBAHIKMCSJ-LTMDYEENSA-N 1 1 526.633 3.922 1 0 KHAFMO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)C[NH+](C)C)CCC2 ZINC000042876225 581097333 /nfs/dbraw/zinc/09/73/33/581097333.db2.gz JFJRYQOFIDFJKY-UHFFFAOYSA-N 1 1 532.580 3.533 1 0 KHAFMO CC(C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000042965023 560085680 /nfs/dbraw/zinc/08/56/80/560085680.db2.gz PEINZJYANJZEKK-JJQUTDJDSA-N 1 1 568.718 3.576 1 0 biogenic,in-vitro KHAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccccc2CO)c1OC ZINC000043064602 562645275 /nfs/dbraw/zinc/64/52/75/562645275.db2.gz BJVNAOOQMBIJLH-FUVDXTNESA-N 1 1 550.619 3.720 1 0 KHAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccccc2CO)c1OC ZINC000043064608 562645285 /nfs/dbraw/zinc/64/52/85/562645285.db2.gz BJVNAOOQMBIJLH-DVQXHMRTSA-N 1 1 550.619 3.720 1 0 KHAFMO COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)[C@@H]3COc4ccccc4O3)nc(N)c2cc1OC ZINC000043072813 562645592 /nfs/dbraw/zinc/64/55/92/562645592.db2.gz NXJYLDGTQWINTD-DEOSSOPVSA-N 1 1 509.607 3.524 1 0 KHAFMO COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)[C@H]3COc4ccccc4O3)nc(N)c2cc1OC ZINC000043072818 562645597 /nfs/dbraw/zinc/64/55/97/562645597.db2.gz NXJYLDGTQWINTD-XMMPIXPASA-N 1 1 509.607 3.524 1 0 KHAFMO Brc1cnc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cccnc2)CC1 ZINC000043170389 562646564 /nfs/dbraw/zinc/64/65/64/562646564.db2.gz MEZWUQRNUZIXMC-UHFFFAOYSA-N 1 1 548.489 3.937 1 0 KHAFMO Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(C[NH+]6CCOCC6)cc5)nc4ncc3Br)CC2)no1 ZINC000043170391 562646559 /nfs/dbraw/zinc/64/65/59/562646559.db2.gz NWPFROXAYMXLFA-UHFFFAOYSA-N 1 1 552.477 3.838 1 0 KHAFMO CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197872 562646798 /nfs/dbraw/zinc/64/67/98/562646798.db2.gz KACGVJVQLHBXRV-SANMLTNESA-N 1 1 513.664 3.768 1 0 KHAFMO CCCC[N@@H+](C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000043207551 562647081 /nfs/dbraw/zinc/64/70/81/562647081.db2.gz ZFRNKMPBRDUJTK-VWLOTQADSA-N 1 1 524.662 3.663 1 0 KHAFMO CCc1cc(C[N@@H+](C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000043207554 562647102 /nfs/dbraw/zinc/64/71/02/562647102.db2.gz KHSWQSGTWGVPLE-SANMLTNESA-N 1 1 538.689 3.773 1 0 KHAFMO CCCC1=C(C(=O)OCc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 ZINC000043323394 562647840 /nfs/dbraw/zinc/64/78/40/562647840.db2.gz GQXHYAUWZFEPSQ-NDEPHWFRSA-N 1 1 547.700 3.514 1 0 KHAFMO CCCC1=C(C(=O)OCc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 ZINC000043323397 562647822 /nfs/dbraw/zinc/64/78/22/562647822.db2.gz GQXHYAUWZFEPSQ-MUUNZHRXSA-N 1 1 547.700 3.514 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(Cl)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523631 562648870 /nfs/dbraw/zinc/64/88/70/562648870.db2.gz PLTKJMXLRXTDNI-MUUNZHRXSA-N 1 1 566.012 3.625 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(Cl)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523634 562648835 /nfs/dbraw/zinc/64/88/35/562648835.db2.gz PLTKJMXLRXTDNI-NDEPHWFRSA-N 1 1 566.012 3.625 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523761 562648823 /nfs/dbraw/zinc/64/88/23/562648823.db2.gz FNRVKCXKVWNQQF-MUUNZHRXSA-N 1 1 610.463 3.734 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523764 562648866 /nfs/dbraw/zinc/64/88/66/562648866.db2.gz FNRVKCXKVWNQQF-NDEPHWFRSA-N 1 1 610.463 3.734 1 0 KHAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4cc(C[NH3+])ccc4[nH]3)[C@H]2SC1 ZINC000043628360 562650339 /nfs/dbraw/zinc/65/03/39/562650339.db2.gz RPZHMMFWENGRPE-VAVYLYDRSA-N 1 1 583.670 3.867 1 0 KHAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4cc(C[NH3+])ccc4[nH]3)[C@@H]2SC1 ZINC000043628362 562650335 /nfs/dbraw/zinc/65/03/35/562650335.db2.gz RPZHMMFWENGRPE-IRPSRAIASA-N 1 1 583.670 3.867 1 0 KHAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cccc(N)c4[nH+]3)[C@H]2SC1 ZINC000043641085 562650514 /nfs/dbraw/zinc/65/05/14/562650514.db2.gz IXYXZRWTNACRFO-UFHPHHKVSA-N 1 1 569.643 3.991 1 0 KHAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4cccc(N)c4[nH+]3)[C@@H]2SC1 ZINC000043641086 562650538 /nfs/dbraw/zinc/65/05/38/562650538.db2.gz IXYXZRWTNACRFO-YWEHKCAJSA-N 1 1 569.643 3.991 1 0 KHAFMO CSC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000043888597 562651100 /nfs/dbraw/zinc/65/11/00/562651100.db2.gz MATDMESVLVWDAX-XJYHXZFBSA-N 1 1 619.832 3.554 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(OC(F)(F)F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044032201 562651804 /nfs/dbraw/zinc/65/18/04/562651804.db2.gz RNFATFZGVOBTHR-NDEPHWFRSA-N 1 1 615.563 3.870 1 0 KHAFMO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(Cl)c1 ZINC000044052945 562651875 /nfs/dbraw/zinc/65/18/75/562651875.db2.gz IAPSYHJTUIPXGA-SSEXGKCCSA-N 1 1 608.049 3.768 1 0 KHAFMO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(Cl)c1 ZINC000044052948 562651878 /nfs/dbraw/zinc/65/18/78/562651878.db2.gz IAPSYHJTUIPXGA-PMERELPUSA-N 1 1 608.049 3.768 1 0 KHAFMO CC(C)c1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053033 562651926 /nfs/dbraw/zinc/65/19/26/562651926.db2.gz WDFWFHWOJIBFJC-JGCGQSQUSA-N 1 1 601.658 3.930 1 0 KHAFMO CC(C)c1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053037 562651929 /nfs/dbraw/zinc/65/19/29/562651929.db2.gz WDFWFHWOJIBFJC-YTTGMZPUSA-N 1 1 601.658 3.930 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]21 ZINC000044247012 562652731 /nfs/dbraw/zinc/65/27/31/562652731.db2.gz RHCZUNJQRAUXEM-LICMTIEISA-N 1 1 640.730 3.863 1 0 KHAFMO COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(Cn5cc[nH+]c5C)CC4)cc2)CC3)cc1 ZINC000044304949 562653278 /nfs/dbraw/zinc/65/32/78/562653278.db2.gz IBWWTBSONHRQQU-UHFFFAOYSA-N 1 1 531.638 3.724 1 0 KHAFMO CCOC(=O)[C@@H](C)CN1C(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000044305687 562653548 /nfs/dbraw/zinc/65/35/48/562653548.db2.gz KEBJMGQOVNHWIO-LITSAYRRSA-N 1 1 614.743 3.585 1 0 KHAFMO CCOC(=O)[C@H](C)CN1C(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000044305690 562653554 /nfs/dbraw/zinc/65/35/54/562653554.db2.gz KEBJMGQOVNHWIO-GGXMVOPNSA-N 1 1 614.743 3.585 1 0 KHAFMO CCOC(=O)[C@@H](C)CN1C(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000044305693 562653542 /nfs/dbraw/zinc/65/35/42/562653542.db2.gz KEBJMGQOVNHWIO-WNJJXGMVSA-N 1 1 614.743 3.585 1 0 KHAFMO CCOC(=O)[C@H](C)CN1C(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000044305696 562653535 /nfs/dbraw/zinc/65/35/35/562653535.db2.gz KEBJMGQOVNHWIO-UHSQPCAPSA-N 1 1 614.743 3.585 1 0 KHAFMO CCc1ccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044306160 562653677 /nfs/dbraw/zinc/65/36/77/562653677.db2.gz WMWOIGFYXLMFRP-SSEXGKCCSA-N 1 1 559.621 3.534 1 0 KHAFMO CCc1ccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044306164 562653688 /nfs/dbraw/zinc/65/36/88/562653688.db2.gz WMWOIGFYXLMFRP-PMERELPUSA-N 1 1 559.621 3.534 1 0 KHAFMO O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000044307911 562654143 /nfs/dbraw/zinc/65/41/43/562654143.db2.gz WUQAXDTXXDUDGH-UHSQPCAPSA-N 1 1 572.662 3.788 1 0 KHAFMO O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000044307915 562654134 /nfs/dbraw/zinc/65/41/34/562654134.db2.gz WUQAXDTXXDUDGH-WNJJXGMVSA-N 1 1 572.662 3.788 1 0 KHAFMO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CC[NH+]1CCN(C(C)C)CC1)CC2 ZINC000044351173 562654541 /nfs/dbraw/zinc/65/45/41/562654541.db2.gz IRAGSKPXCRLVGU-UHFFFAOYSA-N 1 1 615.714 3.997 1 0 KHAFMO CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH+](C)C)CC1 ZINC000044352265 562655107 /nfs/dbraw/zinc/65/51/07/562655107.db2.gz JUZSSTZMGZLRNQ-XMMPIXPASA-N 1 1 549.543 3.939 1 0 KHAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C(N)=O)cc4)CC3)cc2)C[C@H](C)N1 ZINC000044387154 562656052 /nfs/dbraw/zinc/65/60/52/562656052.db2.gz WOESTKMBLIBAII-SZPZYZBQSA-N 1 1 526.685 3.746 1 0 KHAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C(N)=O)cc4)CC3)cc2)C[C@H](C)N1 ZINC000044387154 562656051 /nfs/dbraw/zinc/65/60/51/562656051.db2.gz WOESTKMBLIBAII-SZPZYZBQSA-N 1 1 526.685 3.746 1 0 KHAFMO CC[N@@H+](C)CC(=O)N1CCc2cc(OC)c(Nc3nc4[nH]ccc4c(Nc4cccc(F)c4C(N)=O)n3)cc21 ZINC000044404977 562656556 /nfs/dbraw/zinc/65/65/56/562656556.db2.gz BYCKMIYPESNKTL-UHFFFAOYSA-N 1 1 532.580 3.533 1 0 KHAFMO COC(=O)C[C@](O)(CCCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000044405248 562656611 /nfs/dbraw/zinc/65/66/11/562656611.db2.gz DRSNAXRLOVPLKQ-SHHHLKPLSA-N 1 1 543.657 3.856 1 0 KHAFMO CC(=O)O[C@]12CC[C@@H](NC(=O)/C=C/c3ccccc3)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000044417015 562657008 /nfs/dbraw/zinc/65/70/08/562657008.db2.gz OSVAKAHPJDCGIG-KAPPCOJISA-N 1 1 514.622 3.725 1 0 KHAFMO CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[NH2+]CC1=O ZINC000044417070 562657039 /nfs/dbraw/zinc/65/70/39/562657039.db2.gz LYGUZPXHKFFQKE-GPXNEJASSA-N 1 1 571.637 3.894 1 0 KHAFMO CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H]1CCC[NH2+]CC1=O ZINC000044417074 562657063 /nfs/dbraw/zinc/65/70/63/562657063.db2.gz LYGUZPXHKFFQKE-FIXSFTCYSA-N 1 1 571.637 3.894 1 0 KHAFMO COc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1S(=O)(=O)NCCN1CCCC1 ZINC000045167754 562658073 /nfs/dbraw/zinc/65/80/73/562658073.db2.gz ROGFOGWMCKRYQI-UHFFFAOYSA-N 1 1 505.684 3.993 1 0 KHAFMO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)cc1 ZINC000045168784 562658180 /nfs/dbraw/zinc/65/81/80/562658180.db2.gz HCJWWSZAGUVPSC-UHFFFAOYSA-N 1 1 505.684 3.993 1 0 KHAFMO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1cccc(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045190055 562658471 /nfs/dbraw/zinc/65/84/71/562658471.db2.gz MBSPQRNFFPQPMJ-UHFFFAOYSA-N 1 1 505.684 3.993 1 0 KHAFMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CCCOc3ccnc4cc(Cl)ccc43)C2)cc1OC ZINC000045192237 562658662 /nfs/dbraw/zinc/65/86/62/562658662.db2.gz PPBZBKNGBTVERK-GOSISDBHSA-N 1 1 506.024 3.727 1 0 KHAFMO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CCCOc3ccnc4cc(Cl)ccc43)C2)cc1OC ZINC000045192241 562658609 /nfs/dbraw/zinc/65/86/09/562658609.db2.gz PPBZBKNGBTVERK-SFHVURJKSA-N 1 1 506.024 3.727 1 0 KHAFMO Cn1ncc2c1ccc1ncc(Cl)c(CC[NH+]3CCC(NCc4ccc5c(c4)NC(=O)CO5)CC3)c21 ZINC000045192700 562658633 /nfs/dbraw/zinc/65/86/33/562658633.db2.gz HYNBIXKIQHMMJV-UHFFFAOYSA-N 1 1 505.022 3.903 1 0 KHAFMO COc1ccc(-c2ccccc2C[NH2+]C2Cc3ccccc3C2)cc1S(=O)(=O)NCCN1CCCC1 ZINC000045192850 562658691 /nfs/dbraw/zinc/65/86/91/562658691.db2.gz BFNSGXRUDCXINA-UHFFFAOYSA-N 1 1 505.684 3.993 1 0 KHAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(OC(F)(F)F)cc4)CC3)nc(N)c2cc1OC ZINC000045229196 562659571 /nfs/dbraw/zinc/65/95/71/562659571.db2.gz OAXLTZMILNBFGA-UHFFFAOYSA-N 1 1 505.497 3.774 1 0 KHAFMO COc1ccc([C@H](C[NH3+])N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000045245210 562659694 /nfs/dbraw/zinc/65/96/94/562659694.db2.gz GARZUTMCULGOHF-CPJSRVTESA-N 1 1 514.626 3.883 1 0 KHAFMO COc1ccc([C@@H](C[NH3+])N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000045245211 562659698 /nfs/dbraw/zinc/65/96/98/562659698.db2.gz GARZUTMCULGOHF-NBGIEHNGSA-N 1 1 514.626 3.883 1 0 KHAFMO COc1cccc([C@]2(O)CCCC[C@H]2C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)c1 ZINC000045254571 562659866 /nfs/dbraw/zinc/65/98/66/562659866.db2.gz POJMJIIKSJRQPV-UBMARQKXSA-N 1 1 532.081 3.837 1 0 KHAFMO COc1cccc([C@@]2(O)CCCC[C@@H]2C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)c1 ZINC000045258680 562659961 /nfs/dbraw/zinc/65/99/61/562659961.db2.gz POJMJIIKSJRQPV-OZJYBUQCSA-N 1 1 532.081 3.837 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)C[C@@H]1OC ZINC000045259243 562660002 /nfs/dbraw/zinc/66/00/02/562660002.db2.gz SOEFWQWHKHCTLH-BIIVWMMYSA-N 1 1 518.054 3.534 1 0 KHAFMO COc1ccc(-n2cc(C(=O)NCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000045261934 562660029 /nfs/dbraw/zinc/66/00/29/562660029.db2.gz UQQZLMXUYGQJIW-UHFFFAOYSA-N 1 1 503.434 3.915 1 0 KHAFMO CO[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)C[NH2+]1 ZINC000045262074 562660041 /nfs/dbraw/zinc/66/00/41/562660041.db2.gz DOJVZNNOIXNFGO-RVUATISTSA-N 1 1 503.634 3.511 1 0 KHAFMO COc1cccc([C@]2(O)CCCC[C@H]2C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](OC)C2)c1 ZINC000045286576 562660189 /nfs/dbraw/zinc/66/01/89/562660189.db2.gz POJMJIIKSJRQPV-QZOFJNMOSA-N 1 1 532.081 3.837 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)C[C@@H]1OC ZINC000045287287 562660202 /nfs/dbraw/zinc/66/02/02/562660202.db2.gz SOEFWQWHKHCTLH-QJTHLVPVSA-N 1 1 518.054 3.534 1 0 KHAFMO COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)sc2n1 ZINC000045290705 562660359 /nfs/dbraw/zinc/66/03/59/562660359.db2.gz IJUYJLCLPMJKHJ-FQEVSTJZSA-N 1 1 529.688 3.596 1 0 KHAFMO COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)sc2n1 ZINC000045290708 562660330 /nfs/dbraw/zinc/66/03/30/562660330.db2.gz IJUYJLCLPMJKHJ-HXUWFJFHSA-N 1 1 529.688 3.596 1 0 KHAFMO COc1ccc(CC[N@@H+]2C[C@@H](c3ccc(N(C)C)cc3)[C@@H](CNC(=O)Cc3cccnc3)C2)cc1OC ZINC000045302888 562660734 /nfs/dbraw/zinc/66/07/34/562660734.db2.gz XUIXVUXJOLQQHE-BDYUSTAISA-N 1 1 502.659 3.782 1 0 KHAFMO COc1ccc(CC[N@H+]2C[C@H](CNC(=O)Cc3cccnc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000045302889 562660714 /nfs/dbraw/zinc/66/07/14/562660714.db2.gz XUIXVUXJOLQQHE-AHKZPQOWSA-N 1 1 502.659 3.782 1 0 KHAFMO COc1cccc([C@@]2(O)CCCC[C@@H]2C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](OC)C2)c1 ZINC000045317981 562660863 /nfs/dbraw/zinc/66/08/63/562660863.db2.gz POJMJIIKSJRQPV-JQKXIHIISA-N 1 1 532.081 3.837 1 0 KHAFMO COc1ccc(CC[N@H+]2CC[C@H](CNc3nc(-c4ccccc4)nc4ccccc43)C2)cc1S(N)(=O)=O ZINC000045318314 562660909 /nfs/dbraw/zinc/66/09/09/562660909.db2.gz YOWILVGOOCTEHS-OAQYLSRUSA-N 1 1 517.655 3.929 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)C[C@H]1OC ZINC000045322573 562661134 /nfs/dbraw/zinc/66/11/34/562661134.db2.gz SOEFWQWHKHCTLH-ZSKASMGYSA-N 1 1 518.054 3.534 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)C[C@H]1OC ZINC000045324055 562661187 /nfs/dbraw/zinc/66/11/87/562661187.db2.gz SOEFWQWHKHCTLH-YUXJLSHCSA-N 1 1 518.054 3.534 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000045334544 562661254 /nfs/dbraw/zinc/66/12/54/562661254.db2.gz CRXBTZAVVPNXMP-VPUSJEBWSA-N 1 1 530.625 3.692 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000045334546 562661260 /nfs/dbraw/zinc/66/12/60/562661260.db2.gz CRXBTZAVVPNXMP-BDYUSTAISA-N 1 1 530.625 3.692 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@]3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 ZINC000045349527 562661684 /nfs/dbraw/zinc/66/16/84/562661684.db2.gz CVJOSWCAPSFIOS-BBANNHEPSA-N 1 1 503.691 3.704 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@]3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 ZINC000045349530 562661719 /nfs/dbraw/zinc/66/17/19/562661719.db2.gz CVJOSWCAPSFIOS-FSGGQHMVSA-N 1 1 503.691 3.704 1 0 KHAFMO Oc1cccc(-c2nc3c(ncn3C3CC[NH+](Cc4cncc(Cl)c4)CC3)c(N3CCOCC3)n2)c1 ZINC000045352733 562661779 /nfs/dbraw/zinc/66/17/79/562661779.db2.gz FCTIIYYWTWBECW-UHFFFAOYSA-N 1 1 506.010 3.921 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000045364216 562662007 /nfs/dbraw/zinc/66/20/07/562662007.db2.gz XNXHMAJWAVMLJC-PSWAGMNNSA-N 1 1 521.681 3.843 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@]3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000045364242 562661979 /nfs/dbraw/zinc/66/19/79/562661979.db2.gz HQDFIDGIFXMQEA-HEHLMWRFSA-N 1 1 515.702 3.848 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@]3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000045364246 562662029 /nfs/dbraw/zinc/66/20/29/562662029.db2.gz HQDFIDGIFXMQEA-BIWUZHOCSA-N 1 1 515.702 3.848 1 0 KHAFMO Cc1ccnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000045364779 562662065 /nfs/dbraw/zinc/66/20/65/562662065.db2.gz WWSKOVKRPHATCH-PSWAGMNNSA-N 1 1 522.640 3.918 1 0 KHAFMO C[NH+]1CCN(Cc2cc3nc(-c4ccc(NC(=O)NC5CC5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000045367413 562662164 /nfs/dbraw/zinc/66/21/64/562662164.db2.gz ASHVJCPRWLMYPH-SZPZYZBQSA-N 1 1 533.702 3.757 1 0 KHAFMO CN1CC[NH+](Cc2cc3nc(-c4ccc(NC(=O)NC5CC5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000045367413 562662163 /nfs/dbraw/zinc/66/21/63/562662163.db2.gz ASHVJCPRWLMYPH-SZPZYZBQSA-N 1 1 533.702 3.757 1 0 KHAFMO COc1ccc(CCNc2nc(NCC[C@H]3CCC[N@H+]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045369517 562662197 /nfs/dbraw/zinc/66/21/97/562662197.db2.gz JNLFFMSGOXSODK-HSZRJFAPSA-N 1 1 518.662 3.975 1 0 KHAFMO COc1ccc(CCNc2nc(NCC[C@@H]3CCC[N@H+]3C)ncc2C(=O)NCc2ccccc2)cc1OC ZINC000045369523 562662204 /nfs/dbraw/zinc/66/22/04/562662204.db2.gz JNLFFMSGOXSODK-QHCPKHFHSA-N 1 1 518.662 3.975 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 ZINC000045384522 562662325 /nfs/dbraw/zinc/66/23/25/562662325.db2.gz VVHHRWVIRPLGFD-WMPKNSHKSA-N 1 1 515.702 3.848 1 0 KHAFMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C(=O)NCCCN2CCCC2=O)c(NCC2CCCCC2)n1 ZINC000045389441 562662495 /nfs/dbraw/zinc/66/24/95/562662495.db2.gz FTVAPGDJRUIYIV-JOCHJYFZSA-N 1 1 513.731 3.888 1 0 KHAFMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(C(=O)NCCCN2CCCC2=O)c(NCC2CCCCC2)n1 ZINC000045389445 562662525 /nfs/dbraw/zinc/66/25/25/562662525.db2.gz FTVAPGDJRUIYIV-QFIPXVFZSA-N 1 1 513.731 3.888 1 0 KHAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 ZINC000045392798 562662576 /nfs/dbraw/zinc/66/25/76/562662576.db2.gz VRIWDQKPTOTRNK-XGTKUTNFSA-N 1 1 514.544 3.774 1 0 KHAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1ccc(Br)cc1 ZINC000045392802 562662587 /nfs/dbraw/zinc/66/25/87/562662587.db2.gz XEQUQWJVHIEWQA-XGTKUTNFSA-N 1 1 525.443 3.517 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(OC)cc2)CC1 ZINC000045495173 562662618 /nfs/dbraw/zinc/66/26/18/562662618.db2.gz CMBPWSZHVDWLRC-OAQYLSRUSA-N 1 1 522.671 3.553 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(OC)cc2)CC1 ZINC000045495176 562662605 /nfs/dbraw/zinc/66/26/05/562662605.db2.gz CMBPWSZHVDWLRC-NRFANRHFSA-N 1 1 522.671 3.553 1 0 KHAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5O)cc4)CC3)nc(N)c2cc1OC ZINC000048308922 562663178 /nfs/dbraw/zinc/66/31/78/562663178.db2.gz PPRULNXMBUNPFO-UHFFFAOYSA-N 1 1 584.677 3.950 1 0 KHAFMO COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c3ccccc32)c2ccccc12 ZINC000049034585 562663521 /nfs/dbraw/zinc/66/35/21/562663521.db2.gz BPQSEYFUAIEREA-JLVXQPSGSA-N 1 1 505.640 3.882 1 0 KHAFMO CS(=O)(=O)Nc1cc(OCC[N@H+]2C[C@@H]3CC[C@H](C2)C3Cc2ccc3c(c2)NC(=O)CC3)ccc1F ZINC000049049038 562663735 /nfs/dbraw/zinc/66/37/35/562663735.db2.gz HEKVAXCQMOFXKK-RLAPIPATSA-N 1 1 501.624 3.661 1 0 KHAFMO CC(=O)N1CC[NH+](CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2ccnn2C)CC1 ZINC000049052257 562663833 /nfs/dbraw/zinc/66/38/33/562663833.db2.gz MFTXZQJAGOEHOZ-UHFFFAOYSA-N 1 1 515.536 3.901 1 0 KHAFMO CCCSc1cc(-c2nn(CCC[NH+]3CCOCC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000049068837 562664015 /nfs/dbraw/zinc/66/40/15/562664015.db2.gz QZHKNXNRQDXQCO-UHFFFAOYSA-N 1 1 513.129 3.746 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000049070663 562664112 /nfs/dbraw/zinc/66/41/12/562664112.db2.gz MCEPAFGIBULHLP-XMMPIXPASA-N 1 1 530.591 3.568 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 ZINC000049088538 562664344 /nfs/dbraw/zinc/66/43/44/562664344.db2.gz JDJKNPKGUPLZOR-VXNXHJTFSA-N 1 1 511.617 3.780 1 0 KHAFMO COc1ccc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049113748 562664637 /nfs/dbraw/zinc/66/46/37/562664637.db2.gz GJVBVKZFYFUINR-ZRDIBKRKSA-N 1 1 531.602 3.855 1 0 KHAFMO Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(O)cc4[nH+]3)[C@H]2SC1 ZINC000049600140 562665034 /nfs/dbraw/zinc/66/50/34/562665034.db2.gz UXUAKCDDAVCOOO-YIXXDRMTSA-N 1 1 626.724 3.867 1 0 KHAFMO Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(O)cc4[nH+]3)[C@@H]2SC1 ZINC000049600143 562665048 /nfs/dbraw/zinc/66/50/48/562665048.db2.gz UXUAKCDDAVCOOO-KCWPFWIISA-N 1 1 626.724 3.867 1 0 KHAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5OCCO)cc4)CC3)nc(N)c2cc1OC ZINC000049605402 562665826 /nfs/dbraw/zinc/66/58/26/562665826.db2.gz NTHFBJPGTFKNDO-UHFFFAOYSA-N 1 1 628.730 3.616 1 0 KHAFMO CC(=O)NCCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049605450 562665921 /nfs/dbraw/zinc/66/59/21/562665921.db2.gz HFHXINNZCHMDEE-UHFFFAOYSA-N 1 1 546.035 3.748 1 0 KHAFMO COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000049625855 562666883 /nfs/dbraw/zinc/66/68/83/562666883.db2.gz UYIMLLQEVDUAFP-VOTSOKGWSA-N 1 1 578.632 3.574 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@H+]3CC[C@@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@H](F)C3)c2c1 ZINC000049639127 562667682 /nfs/dbraw/zinc/66/76/82/562667682.db2.gz WJAKHOJSUXKJOB-UZKOGDIHSA-N 1 1 532.041 3.572 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@@H+]3CC[C@@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@H](F)C3)c2c1 ZINC000049639127 562667681 /nfs/dbraw/zinc/66/76/81/562667681.db2.gz WJAKHOJSUXKJOB-UZKOGDIHSA-N 1 1 532.041 3.572 1 0 KHAFMO COc1cc2c(cc1OC)CN(CCC(=O)OCCC[N@@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000049649413 562667962 /nfs/dbraw/zinc/66/79/62/562667962.db2.gz SOKBSOAAOZWMFK-MDZDMXLPSA-N 1 1 614.736 3.990 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049708099 562670844 /nfs/dbraw/zinc/67/08/44/562670844.db2.gz NIQZVJVTQIZVKW-LKVYVDQESA-N 1 1 653.824 3.613 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049708099 562670843 /nfs/dbraw/zinc/67/08/43/562670843.db2.gz NIQZVJVTQIZVKW-LKVYVDQESA-N 1 1 653.824 3.613 1 0 KHAFMO Cc1cc2oc(C[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)cc2cn1 ZINC000049720332 562672100 /nfs/dbraw/zinc/67/21/00/562672100.db2.gz AACGEOQWBRCPAI-LUOAFHGHSA-N 1 1 667.851 3.922 1 0 KHAFMO Cc1cc2oc(C[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)N[C@@H]4c5ccccc5C[C@H]4O)[C@H](C(=O)NC(C)(C)C)C3)cc2cn1 ZINC000049720332 562672099 /nfs/dbraw/zinc/67/20/99/562672099.db2.gz AACGEOQWBRCPAI-LUOAFHGHSA-N 1 1 667.851 3.922 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720335 562672076 /nfs/dbraw/zinc/67/20/76/562672076.db2.gz PHTGQOYLTMJQER-STZWTPIGSA-N 1 1 653.824 3.613 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccncc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720335 562672075 /nfs/dbraw/zinc/67/20/75/562672075.db2.gz PHTGQOYLTMJQER-STZWTPIGSA-N 1 1 653.824 3.613 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC000049744995 562673576 /nfs/dbraw/zinc/67/35/76/562673576.db2.gz YOGHHFIXJGCJIG-IZZNHLLZSA-N 1 1 562.692 3.501 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC000049744995 562673575 /nfs/dbraw/zinc/67/35/75/562673575.db2.gz YOGHHFIXJGCJIG-IZZNHLLZSA-N 1 1 562.692 3.501 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC000049744997 562673587 /nfs/dbraw/zinc/67/35/87/562673587.db2.gz YOGHHFIXJGCJIG-UIOOFZCWSA-N 1 1 562.692 3.501 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC000049744997 562673586 /nfs/dbraw/zinc/67/35/86/562673586.db2.gz YOGHHFIXJGCJIG-UIOOFZCWSA-N 1 1 562.692 3.501 1 0 KHAFMO COc1ccc(CC[N@H+]2CC[C@H](Nc3nc(-c4ccc(F)c(F)c4)nc4ccccc43)C2)cc1S(N)(=O)=O ZINC000049745096 562673653 /nfs/dbraw/zinc/67/36/53/562673653.db2.gz RSIBVTVGWYEUBE-IBGZPJMESA-N 1 1 539.608 3.960 1 0 KHAFMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000049745303 562673800 /nfs/dbraw/zinc/67/38/00/562673800.db2.gz BIKGVNSHHBUWKV-RRPNLBNLSA-N 1 1 543.689 3.896 1 0 KHAFMO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000049745303 562673799 /nfs/dbraw/zinc/67/37/99/562673799.db2.gz BIKGVNSHHBUWKV-RRPNLBNLSA-N 1 1 543.689 3.896 1 0 KHAFMO O=C(N[C@H]1CC[N@H+](C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000049745305 562673794 /nfs/dbraw/zinc/67/37/94/562673794.db2.gz BIKGVNSHHBUWKV-SVBPBHIXSA-N 1 1 543.689 3.896 1 0 KHAFMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000049745305 562673793 /nfs/dbraw/zinc/67/37/93/562673793.db2.gz BIKGVNSHHBUWKV-SVBPBHIXSA-N 1 1 543.689 3.896 1 0 KHAFMO C[NH+]1CCN(c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)n2)CC1 ZINC000049746696 562674555 /nfs/dbraw/zinc/67/45/55/562674555.db2.gz MJTUIJUSFZYMLG-UHFFFAOYSA-N 1 1 586.052 3.518 1 0 KHAFMO C[NH+]1CCN(c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)n2)CC1 ZINC000049756628 562675163 /nfs/dbraw/zinc/67/51/63/562675163.db2.gz MMDXBGKZEZQKND-UHFFFAOYSA-N 1 1 560.033 3.928 1 0 KHAFMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc5c(c3)OCO5)CC4)c(Cl)cn2)CC1 ZINC000049763214 562676886 /nfs/dbraw/zinc/67/68/86/562676886.db2.gz TWVGVGBRJZHUBZ-UHFFFAOYSA-N 1 1 586.052 3.518 1 0 KHAFMO COCC[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049763217 562676893 /nfs/dbraw/zinc/67/68/93/562676893.db2.gz RFRNHNLTXYAIMW-UHFFFAOYSA-N 1 1 604.086 3.945 1 0 KHAFMO Cc1[nH+]cc(-c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)n1C ZINC000049766386 562677050 /nfs/dbraw/zinc/67/70/50/562677050.db2.gz CFQOXXLFJBIIEK-UHFFFAOYSA-N 1 1 532.992 3.543 1 0 KHAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3OC)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049774886 562678791 /nfs/dbraw/zinc/67/87/91/562678791.db2.gz JKJCZPLITAAUNY-UFLBVARNSA-N 1 1 593.150 3.715 1 0 KHAFMO CC[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncc[nH]1 ZINC000049775234 562678984 /nfs/dbraw/zinc/67/89/84/562678984.db2.gz LJXHKSLKMJASBE-UIOOFZCWSA-N 1 1 559.671 3.830 1 0 KHAFMO CC[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncc[nH]1 ZINC000049775234 562678983 /nfs/dbraw/zinc/67/89/83/562678983.db2.gz LJXHKSLKMJASBE-UIOOFZCWSA-N 1 1 559.671 3.830 1 0 KHAFMO CC[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1c[nH]cn1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncc[nH]1 ZINC000049775234 562678982 /nfs/dbraw/zinc/67/89/82/562678982.db2.gz LJXHKSLKMJASBE-UIOOFZCWSA-N 1 1 559.671 3.830 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4ccccc4)cc1c32 ZINC000049776988 562679502 /nfs/dbraw/zinc/67/95/02/562679502.db2.gz VKJOEDAJUCENLF-SANMLTNESA-N 1 1 545.039 3.727 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4ccccc4)cc1c32 ZINC000049776988 562679501 /nfs/dbraw/zinc/67/95/01/562679501.db2.gz VKJOEDAJUCENLF-SANMLTNESA-N 1 1 545.039 3.727 1 0 KHAFMO C[NH+](C)Cc1ccc(-c2nc3c(ncc(Br)c3N3CCN(CC(=O)Nc4nccs4)CC3)[nH]2)cc1 ZINC000049777016 562679541 /nfs/dbraw/zinc/67/95/41/562679541.db2.gz FZHMGMAFTBBYMC-UHFFFAOYSA-N 1 1 555.506 3.666 1 0 KHAFMO COC(=O)N1CC[NH+](C2CCN(c3cc4[nH]c(-c5c(NCCc6ncn(C)c6Cl)cc[nH]c5=O)nc4c(C)c3)CC2)CC1 ZINC000049777370 562679922 /nfs/dbraw/zinc/67/99/22/562679922.db2.gz CAFSWHHZBLDQKZ-UHFFFAOYSA-N 1 1 608.147 3.621 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4ccsc4)cc1c32 ZINC000049777576 562680240 /nfs/dbraw/zinc/68/02/40/562680240.db2.gz VLQZDBABYIACOT-DEOSSOPVSA-N 1 1 551.068 3.788 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4ccsc4)cc1c32 ZINC000049777576 562680239 /nfs/dbraw/zinc/68/02/39/562680239.db2.gz VLQZDBABYIACOT-DEOSSOPVSA-N 1 1 551.068 3.788 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4ccccc4)cc1c32 ZINC000049777909 562680630 /nfs/dbraw/zinc/68/06/30/562680630.db2.gz VKJOEDAJUCENLF-AREMUKBSSA-N 1 1 545.039 3.727 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4ccccc4)cc1c32 ZINC000049777909 562680629 /nfs/dbraw/zinc/68/06/29/562680629.db2.gz VKJOEDAJUCENLF-AREMUKBSSA-N 1 1 545.039 3.727 1 0 KHAFMO NC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049777992 562680767 /nfs/dbraw/zinc/68/07/67/562680767.db2.gz FRWYARHOJMQDJI-UHFFFAOYSA-N 1 1 580.733 3.955 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(I)c3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049778299 562681170 /nfs/dbraw/zinc/68/11/70/562681170.db2.gz SQLSADILRRBGPR-MUUNZHRXSA-N 1 1 657.463 3.576 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3cccc(I)c3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049778300 562681158 /nfs/dbraw/zinc/68/11/58/562681158.db2.gz SQLSADILRRBGPR-NDEPHWFRSA-N 1 1 657.463 3.576 1 0 KHAFMO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)nc(C2CCOCC2)n1 ZINC000049780292 562681581 /nfs/dbraw/zinc/68/15/81/562681581.db2.gz XACUZCZRNNOQMH-JOCHJYFZSA-N 1 1 600.724 3.689 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000049780560 562681894 /nfs/dbraw/zinc/68/18/94/562681894.db2.gz VWWRMJRTGMCJTQ-HSZRJFAPSA-N 1 1 546.590 3.927 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000049780561 562681957 /nfs/dbraw/zinc/68/19/57/562681957.db2.gz CEZOIKOTMRIYJT-XMMPIXPASA-N 1 1 545.606 3.960 1 0 KHAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780769 562682251 /nfs/dbraw/zinc/68/22/51/562682251.db2.gz KUXXGWVHTMGCMA-FJIJXJHWSA-N 1 1 553.647 3.903 1 0 KHAFMO Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000049780803 562682297 /nfs/dbraw/zinc/68/22/97/562682297.db2.gz BUYQNLCSZXGAEE-UHFFFAOYSA-N 1 1 569.731 3.890 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000049780861 562682364 /nfs/dbraw/zinc/68/23/64/562682364.db2.gz RTWCLJWYDVTGSJ-XMMPIXPASA-N 1 1 548.581 3.707 1 0 KHAFMO Cc1ccc(C(=O)N2CCC(CC[N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000049781025 562682509 /nfs/dbraw/zinc/68/25/09/562682509.db2.gz BDDMHAOYXLWHLH-RUZDIDTESA-N 1 1 544.618 3.877 1 0 KHAFMO Cc1ccccc1C(=O)N1CCC(CC[N@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000049781185 562682776 /nfs/dbraw/zinc/68/27/76/562682776.db2.gz NXRPRWZMYABEPP-XMMPIXPASA-N 1 1 544.618 3.877 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000049781283 562682919 /nfs/dbraw/zinc/68/29/19/562682919.db2.gz XSXFFJJDVGJPJE-JOCHJYFZSA-N 1 1 548.581 3.707 1 0 KHAFMO CCn1ccc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc1)nc2N1CCOCC1 ZINC000049781381 562683050 /nfs/dbraw/zinc/68/30/50/562683050.db2.gz QOPDQIJAEIICJK-UHFFFAOYSA-N 1 1 568.682 3.986 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000049781405 562683029 /nfs/dbraw/zinc/68/30/29/562683029.db2.gz DDBOUEPFMQWUEU-XMMPIXPASA-N 1 1 548.581 3.707 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(O)cc5)nc(-c5ccc(O)cc5)c4)CC3)CC2)CC1 ZINC000049781413 562683066 /nfs/dbraw/zinc/68/30/66/562683066.db2.gz FFHAZMAUNOPFAE-UHFFFAOYSA-N 1 1 611.743 3.834 1 0 KHAFMO Cc1cc(N2CC[NH+](CCCO)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049784095 562683422 /nfs/dbraw/zinc/68/34/22/562683422.db2.gz ZQLGJARKBUVURE-XMMPIXPASA-N 1 1 537.064 3.530 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049784287 562683564 /nfs/dbraw/zinc/68/35/64/562683564.db2.gz JDAMZZFWGUKIOM-ZDXQCDESSA-N 1 1 529.607 3.919 1 0 KHAFMO C[C@@H](NC(=O)c1cc(COC(=O)[C@@](C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049785137 562683908 /nfs/dbraw/zinc/68/39/08/562683908.db2.gz PTQRJCCBUDSHTQ-GDJIYFAZSA-N 1 1 541.645 3.716 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4ccsc4)cc1c32 ZINC000049785351 562683953 /nfs/dbraw/zinc/68/39/53/562683953.db2.gz VLQZDBABYIACOT-XMMPIXPASA-N 1 1 551.068 3.788 1 0 KHAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4ccsc4)cc1c32 ZINC000049785351 562683952 /nfs/dbraw/zinc/68/39/52/562683952.db2.gz VLQZDBABYIACOT-XMMPIXPASA-N 1 1 551.068 3.788 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 ZINC000049792858 562684559 /nfs/dbraw/zinc/68/45/59/562684559.db2.gz ZRYOTPJBMKOUMB-AYVPJYCDSA-N 1 1 546.672 3.612 1 0 KHAFMO Brc1cnc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cscn2)CC1 ZINC000049792977 562684544 /nfs/dbraw/zinc/68/45/44/562684544.db2.gz MZFFGJQGKDRXET-UHFFFAOYSA-N 1 1 554.518 3.998 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nncn43)CC2)C1 ZINC000049793310 562684723 /nfs/dbraw/zinc/68/47/23/562684723.db2.gz KXDBCLMIQPHIKC-HMNRDNJPSA-N 1 1 544.700 3.724 1 0 KHAFMO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@@H+]3CCCC[C@@H]3CO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049793318 562684729 /nfs/dbraw/zinc/68/47/29/562684729.db2.gz FIWVOKRGKAXJJE-RUZDIDTESA-N 1 1 563.098 3.653 1 0 KHAFMO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@@H+]3CCCC[C@H]3CO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049793319 562684718 /nfs/dbraw/zinc/68/47/18/562684718.db2.gz FIWVOKRGKAXJJE-VWLOTQADSA-N 1 1 563.098 3.653 1 0 KHAFMO CN(C)c1[nH+]c2ccc1CCCN1C=C(C3=C(c4cn(c5ccccc45)CCC2)C(=O)NC3=O)N2C=CC=C[C@H]12 ZINC000049793518 562684944 /nfs/dbraw/zinc/68/49/44/562684944.db2.gz DZIUGNUCYBEIEY-HHHXNRCGSA-N 1 1 532.648 3.960 1 0 KHAFMO CN(C)c1[nH+]c2ccc1CCCN1C=C(C3=C(c4cn(c5ccccc45)CCC2)C(=O)NC3=O)N2C=CC=C[C@@H]12 ZINC000049793519 562684912 /nfs/dbraw/zinc/68/49/12/562684912.db2.gz DZIUGNUCYBEIEY-MHZLTWQESA-N 1 1 532.648 3.960 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000049793578 562684982 /nfs/dbraw/zinc/68/49/82/562684982.db2.gz DBXBILMEEVCMPM-HMNRDNJPSA-N 1 1 544.700 3.724 1 0 KHAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3F)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049793810 562685204 /nfs/dbraw/zinc/68/52/04/562685204.db2.gz LGLYAEXUSAMYIT-ZTBAGHRESA-N 1 1 581.114 3.845 1 0 KHAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3cccc(F)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049793820 562685199 /nfs/dbraw/zinc/68/51/99/562685199.db2.gz OXXLTARHBIJLCS-ZTBAGHRESA-N 1 1 581.114 3.845 1 0 KHAFMO Cc1cccc(C(=O)N2CCC(CC[N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC000049802460 562685727 /nfs/dbraw/zinc/68/57/27/562685727.db2.gz VVWKTZGDVFHHDW-RUZDIDTESA-N 1 1 544.618 3.877 1 0 KHAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000049802466 562685717 /nfs/dbraw/zinc/68/57/17/562685717.db2.gz JOIKNLCNOLUIEO-JOCHJYFZSA-N 1 1 566.571 3.846 1 0 KHAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CC[NH+](C)CC2)n1 ZINC000049803688 562686204 /nfs/dbraw/zinc/68/62/04/562686204.db2.gz QWEDTGXSEDDYDI-SMCANUKXSA-N 1 1 623.806 3.674 1 0 KHAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1c1nc(N2CCN(C)CC2)nc(N2CC[NH+](C)CC2)n1 ZINC000049803689 562686225 /nfs/dbraw/zinc/68/62/25/562686225.db2.gz QWEDTGXSEDDYDI-IGYGKHONSA-N 1 1 623.806 3.674 1 0 KHAFMO Cn1cncc1CNC(=O)c1ccc2c(c1)[nH]c(-c1cc(Cc3ccccc3)[nH]n1)c2C[NH+]1CCOCC1 ZINC000049803731 562686198 /nfs/dbraw/zinc/68/61/98/562686198.db2.gz PBBQOYDVPXJBIN-UHFFFAOYSA-N 1 1 509.614 3.645 1 0 KHAFMO Cc1ccc(-c2c3c(nc[nH+]c3N)n(CCCOC(=O)NCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)c2C(=O)CF)cc1 ZINC000049832827 562687234 /nfs/dbraw/zinc/68/72/34/562687234.db2.gz QGXCZRRNBBJWHI-ZXDNMGRFSA-N 1 1 682.823 3.880 1 0 KHAFMO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049833093 562687508 /nfs/dbraw/zinc/68/75/08/562687508.db2.gz SYYCZXDFWBANLC-WLPVSNDTSA-N 1 1 677.821 3.918 1 0 KHAFMO COC(=O)N1CC[NH+](C2CCN(c3cc4[nH]c(-c5c(NCCn6cc(Cl)cn6)cc[nH]c5=O)nc4c(C)c3)CC2)CC1 ZINC000049852144 562688861 /nfs/dbraw/zinc/68/88/61/562688861.db2.gz KBLBAKODFLPDCF-UHFFFAOYSA-N 1 1 594.120 3.541 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000049867552 562689529 /nfs/dbraw/zinc/68/95/29/562689529.db2.gz LJYNEMRCASTSJC-NAKRPHOHSA-N 1 1 560.651 3.701 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)cc3)C2)cc1 ZINC000049867554 562689558 /nfs/dbraw/zinc/68/95/58/562689558.db2.gz LJYNEMRCASTSJC-LSYYVWMOSA-N 1 1 560.651 3.701 1 0 KHAFMO COc1ccc(Sc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000049872175 562689801 /nfs/dbraw/zinc/68/98/01/562689801.db2.gz FIVDDFVZVPTFCZ-JOCHJYFZSA-N 1 1 536.698 3.942 1 0 KHAFMO COc1ccc(Sc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000049872176 562689838 /nfs/dbraw/zinc/68/98/38/562689838.db2.gz FIVDDFVZVPTFCZ-QFIPXVFZSA-N 1 1 536.698 3.942 1 0 KHAFMO CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877346 562690123 /nfs/dbraw/zinc/69/01/23/562690123.db2.gz VSIWWORCEGQUCZ-NAKRPHOHSA-N 1 1 560.651 3.788 1 0 KHAFMO CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877348 562690120 /nfs/dbraw/zinc/69/01/20/562690120.db2.gz VSIWWORCEGQUCZ-LSYYVWMOSA-N 1 1 560.651 3.788 1 0 KHAFMO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877440 562690154 /nfs/dbraw/zinc/69/01/54/562690154.db2.gz XKJHWFAMUVWRDJ-NAKRPHOHSA-N 1 1 560.651 3.787 1 0 KHAFMO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049877443 562690159 /nfs/dbraw/zinc/69/01/59/562690159.db2.gz XKJHWFAMUVWRDJ-LSYYVWMOSA-N 1 1 560.651 3.787 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000049878347 562690587 /nfs/dbraw/zinc/69/05/87/562690587.db2.gz QQDPXZXIKAPSNL-XMMPIXPASA-N 1 1 549.741 3.999 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2cccc(N(C)C)c2)CC1 ZINC000049878350 562690583 /nfs/dbraw/zinc/69/05/83/562690583.db2.gz QQDPXZXIKAPSNL-DEOSSOPVSA-N 1 1 549.741 3.999 1 0 KHAFMO COc1cccc(/C=C/C(=O)N(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)c1 ZINC000049878431 562690632 /nfs/dbraw/zinc/69/06/32/562690632.db2.gz VYHBCZXTNSVBLC-TVOCXUCUSA-N 1 1 516.638 3.505 1 0 KHAFMO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)Cc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C ZINC000049878685 562690719 /nfs/dbraw/zinc/69/07/19/562690719.db2.gz IGFNCURCRXYZDP-YADHBBJMSA-N 1 1 542.769 3.851 1 0 KHAFMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(=O)c5ccc(N)cc5)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000049888926 562691608 /nfs/dbraw/zinc/69/16/08/562691608.db2.gz RPDSTWPQRUEWDB-KCEMARDYSA-N 1 1 690.834 3.583 1 0 KHAFMO COCC(=O)N1CC[NH+](C2CCN(c3cc4[nH]c(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)nc4c(C)c3)CC2)CC1 ZINC000049888958 562691656 /nfs/dbraw/zinc/69/16/56/562691656.db2.gz CFXKXVRFVROHAJ-MUUNZHRXSA-N 1 1 634.181 3.785 1 0 KHAFMO CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NN1CC[NH+](Cc2ccccc2)CC1 ZINC000049889027 562691700 /nfs/dbraw/zinc/69/17/00/562691700.db2.gz RMYMCFQJBGHHRV-XSKHDXJTSA-N 1 1 734.964 3.954 1 0 KHAFMO COCCOCC(=O)N1CC[NH+](C2CCN(c3cc4[nH]c(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)nc4c(C)c3)CC2)CC1 ZINC000049889196 562691864 /nfs/dbraw/zinc/69/18/64/562691864.db2.gz WCIIYKWDVLHGIY-SSEXGKCCSA-N 1 1 678.234 3.802 1 0 KHAFMO CN(C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1)[C@@H](Cc1ccccc1)C(N)=O ZINC000049889215 562691913 /nfs/dbraw/zinc/69/19/13/562691913.db2.gz NJSDUDHRRNJCAQ-KYAVEVODSA-N 1 1 698.868 3.877 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)OC(C)=O)CC1 ZINC000049889408 562692071 /nfs/dbraw/zinc/69/20/71/562692071.db2.gz NEIKTFBMGNOYOW-NDEPHWFRSA-N 1 1 570.690 3.977 1 0 KHAFMO CCOc1ccccc1N1CC[NH+](C[C@H](CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)OC(C)=O)CC1 ZINC000049889409 562692073 /nfs/dbraw/zinc/69/20/73/562692073.db2.gz NEIKTFBMGNOYOW-MUUNZHRXSA-N 1 1 570.690 3.977 1 0 KHAFMO Cc1cc(N2CCC([NH+]3CCN(C(=O)OCCO)CC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049898167 562692268 /nfs/dbraw/zinc/69/22/68/562692268.db2.gz XWUXNFBFVBWTFY-MUUNZHRXSA-N 1 1 650.180 3.741 1 0 KHAFMO C[C@H](NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C(C)(C)C)CSC1(C)C)C(C)(C)C ZINC000049899437 562693128 /nfs/dbraw/zinc/69/31/28/562693128.db2.gz RPTQNDJJLCIOJR-DNQDUQEHSA-N 1 1 667.917 3.537 1 0 KHAFMO C[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C(C)(C)C)CSC1(C)C)C(C)(C)C ZINC000049899438 562693105 /nfs/dbraw/zinc/69/31/05/562693105.db2.gz RPTQNDJJLCIOJR-OBXVIOLMSA-N 1 1 667.917 3.537 1 0 in-vitro KHAFMO Cn1cc(C[N@H+]2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)c2ccccc21 ZINC000049908132 562693496 /nfs/dbraw/zinc/69/34/96/562693496.db2.gz WPECFSSKCMFDKA-MAQOFIERSA-N 1 1 665.879 3.964 1 0 KHAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)c(OCCO)c4)CC3)nc(N)c2cc1OC ZINC000049917604 562693607 /nfs/dbraw/zinc/69/36/07/562693607.db2.gz GEOMEHJMBMMCCC-UHFFFAOYSA-N 1 1 628.730 3.616 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000049917651 562693675 /nfs/dbraw/zinc/69/36/75/562693675.db2.gz DDEUHLHIMREGSX-FTJBHMTQSA-N 1 1 560.651 3.701 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000049917651 562693674 /nfs/dbraw/zinc/69/36/74/562693674.db2.gz DDEUHLHIMREGSX-FTJBHMTQSA-N 1 1 560.651 3.701 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000049917652 562693680 /nfs/dbraw/zinc/69/36/80/562693680.db2.gz DDEUHLHIMREGSX-UIOOFZCWSA-N 1 1 560.651 3.701 1 0 KHAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)c(OC)c3)C2)cc1 ZINC000049917652 562693679 /nfs/dbraw/zinc/69/36/79/562693679.db2.gz DDEUHLHIMREGSX-UIOOFZCWSA-N 1 1 560.651 3.701 1 0 KHAFMO CN(C)CC(=O)NC[C@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049918089 562694425 /nfs/dbraw/zinc/69/44/25/562694425.db2.gz CZWFZGLAOMJUEE-NRFANRHFSA-N 1 1 579.337 3.864 1 0 KHAFMO CN(C)CC(=O)NC[C@@H]([NH2+]CCCNc1cc(=O)c2ccccc2[nH]1)c1cc(Br)cc(Br)c1 ZINC000049918090 562694438 /nfs/dbraw/zinc/69/44/38/562694438.db2.gz CZWFZGLAOMJUEE-OAQYLSRUSA-N 1 1 579.337 3.864 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3F)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937578 562694915 /nfs/dbraw/zinc/69/49/15/562694915.db2.gz OMSPTBPDMSPYAS-MUUNZHRXSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Br)cc3F)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937579 562694921 /nfs/dbraw/zinc/69/49/21/562694921.db2.gz OMSPTBPDMSPYAS-NDEPHWFRSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Br)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937599 562694962 /nfs/dbraw/zinc/69/49/62/562694962.db2.gz AZUFHYDJUONZMM-GDLZYMKVSA-N 1 1 638.473 3.569 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Br)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937600 562694955 /nfs/dbraw/zinc/69/49/55/562694955.db2.gz AZUFHYDJUONZMM-LJAQVGFWSA-N 1 1 638.473 3.569 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3Br)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937638 562695016 /nfs/dbraw/zinc/69/50/16/562695016.db2.gz AARLHGRGLNRFBC-MUUNZHRXSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3Br)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937639 562695008 /nfs/dbraw/zinc/69/50/08/562695008.db2.gz AARLHGRGLNRFBC-NDEPHWFRSA-N 1 1 628.453 3.873 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(I)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937659 562694992 /nfs/dbraw/zinc/69/49/92/562694992.db2.gz ZUUSLPUTUWAXOT-MUUNZHRXSA-N 1 1 657.463 3.576 1 0 KHAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(I)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049937660 562695001 /nfs/dbraw/zinc/69/50/01/562695001.db2.gz ZUUSLPUTUWAXOT-NDEPHWFRSA-N 1 1 657.463 3.576 1 0 KHAFMO COCC[NH+]1CCN(c2cc3[nH]c(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)nc3c(C)c2)CC1 ZINC000052716662 562695880 /nfs/dbraw/zinc/69/58/80/562695880.db2.gz UQNVJOYCOQUVLD-XMMPIXPASA-N 1 1 537.064 3.794 1 0 KHAFMO Cn1cc(NC(=O)c2ccc(NC(=O)C[NH+](C)C)n2C)cc1C(=O)NCCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000052956013 562695962 /nfs/dbraw/zinc/69/59/62/562695962.db2.gz SWPRFVHJYVRDFT-UHFFFAOYSA-N 1 1 627.105 3.761 1 0 KHAFMO COc1ccc(Oc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053174591 562696375 /nfs/dbraw/zinc/69/63/75/562696375.db2.gz BKKBNKYBRLFPDA-JOCHJYFZSA-N 1 1 520.630 3.583 1 0 KHAFMO COc1ccc(Oc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053174592 562696350 /nfs/dbraw/zinc/69/63/50/562696350.db2.gz BKKBNKYBRLFPDA-QFIPXVFZSA-N 1 1 520.630 3.583 1 0 KHAFMO Cc1ccc(Oc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053175215 562696348 /nfs/dbraw/zinc/69/63/48/562696348.db2.gz IVNUKWQMKLKFEF-HSZRJFAPSA-N 1 1 504.631 3.882 1 0 KHAFMO Cc1ccccc1Nc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175239 562696367 /nfs/dbraw/zinc/69/63/67/562696367.db2.gz LEEXXHMHLAINPO-QHCPKHFHSA-N 1 1 503.647 3.834 1 0 KHAFMO Cc1ccccc1Nc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175241 562696362 /nfs/dbraw/zinc/69/63/62/562696362.db2.gz LEEXXHMHLAINPO-HSZRJFAPSA-N 1 1 503.647 3.834 1 0 KHAFMO COc1ccccc1Nc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175275 562696373 /nfs/dbraw/zinc/69/63/73/562696373.db2.gz AKHSEEZPRWOOFJ-JOCHJYFZSA-N 1 1 519.646 3.534 1 0 KHAFMO COc1ccccc1Nc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175276 562696357 /nfs/dbraw/zinc/69/63/57/562696357.db2.gz AKHSEEZPRWOOFJ-QFIPXVFZSA-N 1 1 519.646 3.534 1 0 KHAFMO COc1ccc(Nc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053175292 562696345 /nfs/dbraw/zinc/69/63/45/562696345.db2.gz MQRJNJXVKPXATD-HSZRJFAPSA-N 1 1 519.646 3.534 1 0 KHAFMO COc1ccc(Nc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053175293 562696335 /nfs/dbraw/zinc/69/63/35/562696335.db2.gz MQRJNJXVKPXATD-QHCPKHFHSA-N 1 1 519.646 3.534 1 0 KHAFMO CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CC[NH+](CCCc4ccccc4)CC3)cc21 ZINC000053175300 562696341 /nfs/dbraw/zinc/69/63/41/562696341.db2.gz MIUCZFWBCFZKEU-UHFFFAOYSA-N 1 1 525.657 3.564 1 0 in-vivo KHAFMO Cc1ccccc1Oc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175330 562696377 /nfs/dbraw/zinc/69/63/77/562696377.db2.gz WBUDFVKRVSFSIK-QHCPKHFHSA-N 1 1 504.631 3.882 1 0 KHAFMO Cc1ccccc1Oc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175332 562696343 /nfs/dbraw/zinc/69/63/43/562696343.db2.gz WBUDFVKRVSFSIK-HSZRJFAPSA-N 1 1 504.631 3.882 1 0 KHAFMO COc1ccccc1Oc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175343 562696379 /nfs/dbraw/zinc/69/63/79/562696379.db2.gz PHWZBQRODOVJOV-JOCHJYFZSA-N 1 1 520.630 3.583 1 0 KHAFMO COc1ccccc1Oc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175345 562696371 /nfs/dbraw/zinc/69/63/71/562696371.db2.gz PHWZBQRODOVJOV-QFIPXVFZSA-N 1 1 520.630 3.583 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2cccc(N(C)C)c2)CC1 ZINC000053178257 562696389 /nfs/dbraw/zinc/69/63/89/562696389.db2.gz HEMMZCFYNBLWOP-XMMPIXPASA-N 1 1 533.673 3.640 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2cccc(N(C)C)c2)CC1 ZINC000053178260 562696393 /nfs/dbraw/zinc/69/63/93/562696393.db2.gz HEMMZCFYNBLWOP-DEOSSOPVSA-N 1 1 533.673 3.640 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1 ZINC000053178459 562696404 /nfs/dbraw/zinc/69/64/04/562696404.db2.gz VAHDIFWZSJOVTG-RUZDIDTESA-N 1 1 532.689 3.591 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(N(C)C)c2)CC1 ZINC000053178461 562696386 /nfs/dbraw/zinc/69/63/86/562696386.db2.gz VAHDIFWZSJOVTG-VWLOTQADSA-N 1 1 532.689 3.591 1 0 KHAFMO Cc1ccc(Nc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053194145 562696474 /nfs/dbraw/zinc/69/64/74/562696474.db2.gz MBIJYFHYBJWYNE-DEOSSOPVSA-N 1 1 503.647 3.834 1 0 KHAFMO Cc1ccc(Nc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053194147 562696481 /nfs/dbraw/zinc/69/64/81/562696481.db2.gz MBIJYFHYBJWYNE-XMMPIXPASA-N 1 1 503.647 3.834 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000053195646 562696501 /nfs/dbraw/zinc/69/65/01/562696501.db2.gz PCYHTKXWAXOVSV-JOCHJYFZSA-N 1 1 506.672 3.933 1 0 KHAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000053195649 562696489 /nfs/dbraw/zinc/69/64/89/562696489.db2.gz PCYHTKXWAXOVSV-QFIPXVFZSA-N 1 1 506.672 3.933 1 0 KHAFMO C[N@H+]1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c32)C1 ZINC000053261420 562696903 /nfs/dbraw/zinc/69/69/03/562696903.db2.gz MDXDUERQAFAILI-UHFFFAOYSA-N 1 1 515.683 3.847 1 0 KHAFMO C[N@@H+]1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c32)C1 ZINC000053261420 562696902 /nfs/dbraw/zinc/69/69/02/562696902.db2.gz MDXDUERQAFAILI-UHFFFAOYSA-N 1 1 515.683 3.847 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5cccc(CO)c5)c4)CC3)CC2)CC1 ZINC000053276648 562697132 /nfs/dbraw/zinc/69/71/32/562697132.db2.gz HRGSQTMZWBQIPE-UHFFFAOYSA-N 1 1 609.771 3.915 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(OCCO)cc5)c4)CC3)CC2)CC1 ZINC000053293945 562697237 /nfs/dbraw/zinc/69/72/37/562697237.db2.gz VLBBKNJCKWBLQG-UHFFFAOYSA-N 1 1 639.797 3.794 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(CCO)cc5)c4)CC3)CC2)CC1 ZINC000053294516 562697281 /nfs/dbraw/zinc/69/72/81/562697281.db2.gz WSEJRCOGQBPQIQ-UHFFFAOYSA-N 1 1 623.798 3.958 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(C(N)=O)cc5)c4)CC3)CC2)CC1 ZINC000053294861 562697283 /nfs/dbraw/zinc/69/72/83/562697283.db2.gz BOOCOJODJKPVGL-UHFFFAOYSA-N 1 1 622.770 3.522 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)CC(=O)N6)c4)CC3)CC2)CC1 ZINC000053295878 562697308 /nfs/dbraw/zinc/69/73/08/562697308.db2.gz WLNRXVFWSBPMSV-UHFFFAOYSA-N 1 1 634.781 3.918 1 0 KHAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(CO)cc5)c4)CC3)CC2)CC1 ZINC000053296939 562697422 /nfs/dbraw/zinc/69/74/22/562697422.db2.gz DOQGQZWOBXBNHG-UHFFFAOYSA-N 1 1 609.771 3.915 1 0 KHAFMO COc1ccccc1Sc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000055772139 562697747 /nfs/dbraw/zinc/69/77/47/562697747.db2.gz ZMUCCCFNUBIZGO-JOCHJYFZSA-N 1 1 536.698 3.942 1 0 KHAFMO COc1ccccc1Sc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000055772142 562697804 /nfs/dbraw/zinc/69/78/04/562697804.db2.gz ZMUCCCFNUBIZGO-QFIPXVFZSA-N 1 1 536.698 3.942 1 0 KHAFMO C[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000055865535 562697843 /nfs/dbraw/zinc/69/78/43/562697843.db2.gz RHJLQMVZXQKJKB-FPHSVDBKSA-N 1 1 574.747 3.660 1 0 in-vivo KHAFMO CCO[C@]1(C)CC[N@H+]2C[C@@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000058482449 562698048 /nfs/dbraw/zinc/69/80/48/562698048.db2.gz VGSHAQPNELLPIN-DHCAOQKHSA-N 1 1 521.658 3.840 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000058487339 562698119 /nfs/dbraw/zinc/69/81/19/562698119.db2.gz YOGHHFIXJGCJIG-CLJLJLNGSA-N 1 1 562.692 3.501 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000058487339 562698118 /nfs/dbraw/zinc/69/81/18/562698118.db2.gz YOGHHFIXJGCJIG-CLJLJLNGSA-N 1 1 562.692 3.501 1 0 KHAFMO COc1ccc2ncc(F)c(CC[N@H+]3C[C@H]4CCC[C@@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000058487815 562698199 /nfs/dbraw/zinc/69/81/99/562698199.db2.gz SRAVTNUCBHQYLG-XGCWNURASA-N 1 1 522.650 3.651 1 0 KHAFMO O=C(CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)C1C2CC3CC(C2)CC1C3 ZINC000058500455 562698230 /nfs/dbraw/zinc/69/82/30/562698230.db2.gz CWYQQNFWYKYBDI-XYHQLRHCSA-N 1 1 519.682 3.983 1 0 KHAFMO O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@H]1CCOC1 ZINC000058502268 562698290 /nfs/dbraw/zinc/69/82/90/562698290.db2.gz JCFGNVQKALNTTE-GJPOJAMWSA-N 1 1 534.554 3.527 1 0 KHAFMO CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058512901 562698446 /nfs/dbraw/zinc/69/84/46/562698446.db2.gz MPSUCFFGDLOVOA-MJHNFSNPSA-N 1 1 612.856 3.964 1 0 KHAFMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@H]2c1ccc(Cl)cc1 ZINC000058537960 562698761 /nfs/dbraw/zinc/69/87/61/562698761.db2.gz MUNCDYSDMHCDQC-OTLGMJNYSA-N 1 1 505.398 3.555 1 0 KHAFMO COC(=O)c1ccc(C(=O)N2C[C@@H]3C[N@H+](CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)cc1 ZINC000058538438 562698821 /nfs/dbraw/zinc/69/88/21/562698821.db2.gz QFCGQKZCLMPAOY-VJGNERBWSA-N 1 1 503.643 3.915 1 0 KHAFMO CC(C)CCN1CC[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000058543144 562699026 /nfs/dbraw/zinc/69/90/26/562699026.db2.gz YCZLRPWCDVKCFZ-SVBPBHIXSA-N 1 1 537.701 3.937 1 0 KHAFMO CCC[N@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000058553518 562699241 /nfs/dbraw/zinc/69/92/41/562699241.db2.gz INPOAGGWPPCRMS-RPWUZVMVSA-N 1 1 594.704 3.667 1 0 KHAFMO CCC[N@@H+]1CC[C@@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000058553518 562699240 /nfs/dbraw/zinc/69/92/40/562699240.db2.gz INPOAGGWPPCRMS-RPWUZVMVSA-N 1 1 594.704 3.667 1 0 KHAFMO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@H+](CCF)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058583956 562700228 /nfs/dbraw/zinc/70/02/28/562700228.db2.gz ZPDSAWYSHUBVEN-PMACEKPBSA-N 1 1 500.933 3.725 1 0 KHAFMO CSC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000058615914 562701056 /nfs/dbraw/zinc/70/10/56/562701056.db2.gz MATDMESVLVWDAX-KRCBVYEFSA-N 1 1 619.832 3.554 1 0 KHAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058617974 562701049 /nfs/dbraw/zinc/70/10/49/562701049.db2.gz OOFHOBZEPRIFQH-HGGOGFGUSA-N 1 1 610.840 3.740 1 0 KHAFMO CN(C)S(=O)(=O)c1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCCCC2)cc1 ZINC000058631875 562701173 /nfs/dbraw/zinc/70/11/73/562701173.db2.gz YBZBONUJVBTJTG-QFIPXVFZSA-N 1 1 533.638 3.851 1 0 KHAFMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[N@H+](CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c1 ZINC000058649504 562701301 /nfs/dbraw/zinc/70/13/01/562701301.db2.gz SNQUCRZVXQAIQK-VJGNERBWSA-N 1 1 503.643 3.915 1 0 KHAFMO O=C(C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000058678206 562701549 /nfs/dbraw/zinc/70/15/49/562701549.db2.gz HSHZHZBGDQDOAU-SANMLTNESA-N 1 1 561.646 3.942 1 0 KHAFMO O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000064264731 562704700 /nfs/dbraw/zinc/70/47/00/562704700.db2.gz JCFGNVQKALNTTE-UGTOYMOASA-N 1 1 534.554 3.527 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409765 562705019 /nfs/dbraw/zinc/70/50/19/562705019.db2.gz LHUPFKFXYWSXLO-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409765 562705018 /nfs/dbraw/zinc/70/50/18/562705018.db2.gz LHUPFKFXYWSXLO-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409766 562705025 /nfs/dbraw/zinc/70/50/25/562705025.db2.gz LHUPFKFXYWSXLO-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064409766 562705024 /nfs/dbraw/zinc/70/50/24/562705024.db2.gz LHUPFKFXYWSXLO-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416754 562705067 /nfs/dbraw/zinc/70/50/67/562705067.db2.gz LTXUHHSAVXTBLA-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416754 562705066 /nfs/dbraw/zinc/70/50/66/562705066.db2.gz LTXUHHSAVXTBLA-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416756 562705042 /nfs/dbraw/zinc/70/50/42/562705042.db2.gz LTXUHHSAVXTBLA-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccc(Cl)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416756 562705041 /nfs/dbraw/zinc/70/50/41/562705041.db2.gz LTXUHHSAVXTBLA-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416828 562705074 /nfs/dbraw/zinc/70/50/74/562705074.db2.gz LUNRQEOWUZPQDT-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416828 562705073 /nfs/dbraw/zinc/70/50/73/562705073.db2.gz LUNRQEOWUZPQDT-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416832 562705052 /nfs/dbraw/zinc/70/50/52/562705052.db2.gz LUNRQEOWUZPQDT-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416832 562705051 /nfs/dbraw/zinc/70/50/51/562705051.db2.gz LUNRQEOWUZPQDT-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccccc2Cl)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416838 562705060 /nfs/dbraw/zinc/70/50/60/562705060.db2.gz KVJOYIYROUJGRM-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccccc2Cl)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416838 562705059 /nfs/dbraw/zinc/70/50/59/562705059.db2.gz KVJOYIYROUJGRM-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccccc2Cl)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416840 562705047 /nfs/dbraw/zinc/70/50/47/562705047.db2.gz KVJOYIYROUJGRM-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccccc2Cl)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416840 562705046 /nfs/dbraw/zinc/70/50/46/562705046.db2.gz KVJOYIYROUJGRM-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2cccc(Cl)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417020 562705130 /nfs/dbraw/zinc/70/51/30/562705130.db2.gz WBCYNUUFFKRYGE-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2cccc(Cl)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417020 562705129 /nfs/dbraw/zinc/70/51/29/562705129.db2.gz WBCYNUUFFKRYGE-XMMPIXPASA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2cccc(Cl)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417023 562705110 /nfs/dbraw/zinc/70/51/10/562705110.db2.gz WBCYNUUFFKRYGE-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2cccc(Cl)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417023 562705109 /nfs/dbraw/zinc/70/51/09/562705109.db2.gz WBCYNUUFFKRYGE-DEOSSOPVSA-N 1 1 501.969 3.648 1 0 KHAFMO CN(C)S(=O)(=O)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCCCCC2)cc1 ZINC000064426566 562705143 /nfs/dbraw/zinc/70/51/43/562705143.db2.gz YBZBONUJVBTJTG-JOCHJYFZSA-N 1 1 533.638 3.851 1 0 KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3[C@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1 ZINC000064436432 562705159 /nfs/dbraw/zinc/70/51/59/562705159.db2.gz DNDZDOQKOIGLKC-YBAOVTMCSA-N 1 1 618.775 3.673 1 0 KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@H]3[C@@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1 ZINC000064436434 562705152 /nfs/dbraw/zinc/70/51/52/562705152.db2.gz DNDZDOQKOIGLKC-JUQKIHQQSA-N 1 1 618.775 3.673 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064448096 562705472 /nfs/dbraw/zinc/70/54/72/562705472.db2.gz LXGPWERMQMLRDP-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064448096 562705471 /nfs/dbraw/zinc/70/54/71/562705471.db2.gz LXGPWERMQMLRDP-XMMPIXPASA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064448098 562705451 /nfs/dbraw/zinc/70/54/51/562705451.db2.gz LXGPWERMQMLRDP-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO CC(C)[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064448098 562705450 /nfs/dbraw/zinc/70/54/50/562705450.db2.gz LXGPWERMQMLRDP-DEOSSOPVSA-N 1 1 546.420 3.757 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 ZINC000064499425 562706002 /nfs/dbraw/zinc/70/60/02/562706002.db2.gz MZMIENIIBMNHDS-OOWIMERYSA-N 1 1 533.669 3.795 1 0 KHAFMO C[N@H+]1CCC12CCN(C(=O)OC1([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC1)CC2 ZINC000064503680 562706107 /nfs/dbraw/zinc/70/61/07/562706107.db2.gz JGLTVCVKQGVHKR-FYYLOGMGSA-N 1 1 538.110 3.738 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CN(C(=O)CC(C)C)C3)C[C@@H]2C1 ZINC000064503960 562706092 /nfs/dbraw/zinc/70/60/92/562706092.db2.gz TWHQUHAKEQPJPV-WEWMWRJBSA-N 1 1 503.691 3.776 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CN(C(=O)CC(C)C)C3)C[C@@H]2C1 ZINC000064503962 562706097 /nfs/dbraw/zinc/70/60/97/562706097.db2.gz TWHQUHAKEQPJPV-CMTIAEDTSA-N 1 1 503.691 3.776 1 0 KHAFMO CS(=O)(=O)Nc1ccc2[nH]c(C[NH+]3CCC(Cc4ccc(I)cc4)CC3)nc2c1 ZINC000064512269 562706236 /nfs/dbraw/zinc/70/62/36/562706236.db2.gz ZJNLXQGQBWLKIU-UHFFFAOYSA-N 1 1 524.428 3.994 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)CC(F)(F)F)CC3)C[C@@H]2C1 ZINC000064512666 562706260 /nfs/dbraw/zinc/70/62/60/562706260.db2.gz CCCRTBYFTKRTGH-NXCFDTQHSA-N 1 1 593.716 3.875 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)CC(F)(F)F)CC3)C[C@@H]2C1 ZINC000064512669 562706272 /nfs/dbraw/zinc/70/62/72/562706272.db2.gz CCCRTBYFTKRTGH-UODIDJSMSA-N 1 1 593.716 3.875 1 0 KHAFMO COC(=O)N1CCC([C@@H](CC[N@@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513316 562706370 /nfs/dbraw/zinc/70/63/70/562706370.db2.gz IUENSEDRGKTRGA-NXCFDTQHSA-N 1 1 505.663 3.750 1 0 KHAFMO COC(=O)N1CCC([C@H](CC[N@@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513319 562706378 /nfs/dbraw/zinc/70/63/78/562706378.db2.gz IUENSEDRGKTRGA-UODIDJSMSA-N 1 1 505.663 3.750 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CN(CC(F)(F)F)C3)C[C@@H]2C1 ZINC000064514064 562706534 /nfs/dbraw/zinc/70/65/34/562706534.db2.gz KHJSAQHDNAQQMO-ZDXQCDESSA-N 1 1 501.597 3.765 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CN(CC(F)(F)F)C3)C[C@@H]2C1 ZINC000064514066 562706532 /nfs/dbraw/zinc/70/65/32/562706532.db2.gz KHJSAQHDNAQQMO-AOHZBQACSA-N 1 1 501.597 3.765 1 0 KHAFMO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NCC[C@@H]4CCC[N@H+]4C)ccc3OC(F)(F)F)ncc1CC2 ZINC000064526298 562706580 /nfs/dbraw/zinc/70/65/80/562706580.db2.gz JVZPJOJXJIONKU-INIZCTEOSA-N 1 1 530.555 3.613 1 0 KHAFMO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NCC[C@H]4CCC[N@H+]4C)ccc3OC(F)(F)F)ncc1CC2 ZINC000064526301 562706596 /nfs/dbraw/zinc/70/65/96/562706596.db2.gz JVZPJOJXJIONKU-MRXNPFEDSA-N 1 1 530.555 3.613 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064527473 562706968 /nfs/dbraw/zinc/70/69/68/562706968.db2.gz MNBXERPIBNFJMW-REUBFRLUSA-N 1 1 515.702 3.920 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064527474 562706986 /nfs/dbraw/zinc/70/69/86/562706986.db2.gz MNBXERPIBNFJMW-FULLSBAXSA-N 1 1 515.702 3.920 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064528054 562707276 /nfs/dbraw/zinc/70/72/76/562707276.db2.gz YWUQJCUUNVCNFS-IARZGTGTSA-N 1 1 553.773 3.721 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064528055 562707260 /nfs/dbraw/zinc/70/72/60/562707260.db2.gz YWUQJCUUNVCNFS-OZNIXHKMSA-N 1 1 553.773 3.721 1 0 KHAFMO CCC(=O)N1CCC([C@@H](CC[N@@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064539025 562707484 /nfs/dbraw/zinc/70/74/84/562707484.db2.gz MLRSFEBXUGRGTR-VJGNERBWSA-N 1 1 503.691 3.920 1 0 KHAFMO CCC(=O)N1CCC([C@H](CC[N@@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064539026 562707487 /nfs/dbraw/zinc/70/74/87/562707487.db2.gz MLRSFEBXUGRGTR-KWXIBIRDSA-N 1 1 503.691 3.920 1 0 KHAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000064540056 562707662 /nfs/dbraw/zinc/70/76/62/562707662.db2.gz JYKYIEPRMTUCEV-UHFFFAOYSA-N 1 1 519.568 3.516 1 0 KHAFMO COc1ccccc1N1CC[NH+](C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 ZINC000064553605 562708246 /nfs/dbraw/zinc/70/82/46/562708246.db2.gz MZMIENIIBMNHDS-VVFBEHOQSA-N 1 1 533.669 3.795 1 0 KHAFMO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066175 562709283 /nfs/dbraw/zinc/70/92/83/562709283.db2.gz LALWIFVAIZGAGQ-AWEZNQCLSA-N 1 1 503.003 3.929 1 0 KHAFMO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCC[N@H+](Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066175 562709282 /nfs/dbraw/zinc/70/92/82/562709282.db2.gz LALWIFVAIZGAGQ-AWEZNQCLSA-N 1 1 503.003 3.929 1 0 KHAFMO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066176 562709302 /nfs/dbraw/zinc/70/93/02/562709302.db2.gz LALWIFVAIZGAGQ-CQSZACIVSA-N 1 1 503.003 3.929 1 0 KHAFMO NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4F)C3)cc1-2 ZINC000066066176 562709301 /nfs/dbraw/zinc/70/93/01/562709301.db2.gz LALWIFVAIZGAGQ-CQSZACIVSA-N 1 1 503.003 3.929 1 0 KHAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000066066485 562709417 /nfs/dbraw/zinc/70/94/17/562709417.db2.gz ZOGMNODWMKESAB-LNQJTCQQSA-N 1 1 537.730 3.853 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)OC(C)C)CC2)CC1 ZINC000066075485 562709995 /nfs/dbraw/zinc/70/99/95/562709995.db2.gz POAJOCQVTNBUNU-UHFFFAOYSA-N 1 1 501.653 3.810 1 0 KHAFMO O=C([O-])C[NH2+][C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000066075724 562710021 /nfs/dbraw/zinc/71/00/21/562710021.db2.gz ZJWDRJAMCPEBDA-CBDXKTNESA-N 1 1 518.654 3.656 1 0 KHAFMO O=C([O-])C[NH2+][C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000066075726 562710056 /nfs/dbraw/zinc/71/00/56/562710056.db2.gz ZJWDRJAMCPEBDA-CICGIWRTSA-N 1 1 518.654 3.656 1 0 KHAFMO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000066076262 562710075 /nfs/dbraw/zinc/71/00/75/562710075.db2.gz JKFVPLUOUVZVCJ-MUAVYFROSA-N 1 1 577.528 3.525 1 0 KHAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076282 562710108 /nfs/dbraw/zinc/71/01/08/562710108.db2.gz KGSRISDMTVLXLK-UHXIBSLYSA-N 1 1 567.642 3.979 1 0 KHAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076282 562710107 /nfs/dbraw/zinc/71/01/07/562710107.db2.gz KGSRISDMTVLXLK-UHXIBSLYSA-N 1 1 567.642 3.979 1 0 KHAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076283 562710128 /nfs/dbraw/zinc/71/01/28/562710128.db2.gz KGSRISDMTVLXLK-ULMGMKQISA-N 1 1 567.642 3.979 1 0 KHAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076283 562710127 /nfs/dbraw/zinc/71/01/27/562710127.db2.gz KGSRISDMTVLXLK-ULMGMKQISA-N 1 1 567.642 3.979 1 0 KHAFMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3cccc(F)c3)CC4)c(Cl)cn2)CC1 ZINC000066078653 562710472 /nfs/dbraw/zinc/71/04/72/562710472.db2.gz ZOVDJSBYZCCKTL-UHFFFAOYSA-N 1 1 560.033 3.928 1 0 KHAFMO COc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc(N5CC[NH+](C)CC5)ncc4Cl)ccc2CC3)cc1 ZINC000066098160 562710908 /nfs/dbraw/zinc/71/09/08/562710908.db2.gz KAXKMTNJRBHOPY-UHFFFAOYSA-N 1 1 572.069 3.798 1 0 KHAFMO Brc1cnc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2ccncc2)CC1 ZINC000066099872 562711173 /nfs/dbraw/zinc/71/11/73/562711173.db2.gz NHYFIOPAILUTFS-UHFFFAOYSA-N 1 1 548.489 3.937 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@H]3c4ccc(C(F)(F)F)cc4C[C@@H]3O)[C@@H](C)C2)CC1 ZINC000066101363 562711342 /nfs/dbraw/zinc/71/13/42/562711342.db2.gz YUVBUIGMINTUIE-XPEQFSOGSA-N 1 1 531.623 3.771 1 0 KHAFMO COc1ccccc1N1CC[NH+](C/C=C/CNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1 ZINC000066111625 562711872 /nfs/dbraw/zinc/71/18/72/562711872.db2.gz AIDTVWDAJAVXLC-AATRIKPKSA-N 1 1 536.442 3.923 1 0 KHAFMO O=C(NC/C=C/C[NH+]1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCOCCF)cc1 ZINC000066111901 562711892 /nfs/dbraw/zinc/71/18/92/562711892.db2.gz GQYBHQJQIKLJET-ONEGZZNKSA-N 1 1 503.590 3.508 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000066111986 562711946 /nfs/dbraw/zinc/71/19/46/562711946.db2.gz GXRWPXNNFHKMSW-UHFFFAOYSA-N 1 1 514.696 3.773 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C3CCCC3)CC2)CC1 ZINC000066113299 562712177 /nfs/dbraw/zinc/71/21/77/562712177.db2.gz HEJOUUWBBBJIBB-UHFFFAOYSA-N 1 1 511.692 3.982 1 0 KHAFMO COc1ccccc1N1CC[NH+](C/C=C/CNC(=O)c2cc(Br)ccc2OCCF)CC1 ZINC000066124177 562712668 /nfs/dbraw/zinc/71/26/68/562712668.db2.gz GTBOVEUYOKQEIH-SNAWJCMRSA-N 1 1 506.416 3.914 1 0 KHAFMO COc1ccccc1N1CC[NH+](C/C=C/CNC(=O)c2cc(I)ccc2OCCF)CC1 ZINC000066124179 562712642 /nfs/dbraw/zinc/71/26/42/562712642.db2.gz IIRXNWGIJONFMR-SNAWJCMRSA-N 1 1 553.416 3.756 1 0 KHAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H]3c4ccc(C(F)(F)F)cc4C[C@H]3O)[C@@H](C)C2)CC1 ZINC000066124598 562712756 /nfs/dbraw/zinc/71/27/56/562712756.db2.gz YUVBUIGMINTUIE-FIMBPPNMSA-N 1 1 531.623 3.771 1 0 KHAFMO CCNC(=O)Nc1sc2cnccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136481 562713167 /nfs/dbraw/zinc/71/31/67/562713167.db2.gz MZSNSYOWBBNNTI-UHFFFAOYSA-N 1 1 554.639 3.775 1 0 KHAFMO CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136515 562713189 /nfs/dbraw/zinc/71/31/89/562713189.db2.gz FAPSKAQRIVEKBW-UHFFFAOYSA-N 1 1 554.639 3.775 1 0 KHAFMO CCNC(=O)Nc1sc2ccncc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136516 562713184 /nfs/dbraw/zinc/71/31/84/562713184.db2.gz PYKWZMOZZZHYEK-UHFFFAOYSA-N 1 1 554.639 3.775 1 0 KHAFMO CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136518 562713158 /nfs/dbraw/zinc/71/31/58/562713158.db2.gz CRDSSJWAPRAEEX-UHFFFAOYSA-N 1 1 554.639 3.775 1 0 KHAFMO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3ncnc4ccccc43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000066166294 562714083 /nfs/dbraw/zinc/71/40/83/562714083.db2.gz ABPGHPHYGKUEIO-SUYBVONHSA-N 1 1 581.783 3.627 1 0 in-vitro KHAFMO COc1ccc(C[N@@H+](CCNC(=O)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)C(C)C)cc1 ZINC000066167314 562714356 /nfs/dbraw/zinc/71/43/56/562714356.db2.gz NEOQFYDOUBKKJL-UHFFFAOYSA-N 1 1 509.672 3.955 1 0 KHAFMO CS(=O)(=O)N1CC[NH+](CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066251474 562714478 /nfs/dbraw/zinc/71/44/78/562714478.db2.gz JBNIQURVWZJAOQ-UHFFFAOYSA-N 1 1 504.697 3.513 1 0 KHAFMO C[N@@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000066252290 562714722 /nfs/dbraw/zinc/71/47/22/562714722.db2.gz CLLXAHMNMAXOSD-XMMPIXPASA-N 1 1 520.422 3.803 1 0 KHAFMO C[N@@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000066252291 562714712 /nfs/dbraw/zinc/71/47/12/562714712.db2.gz CLLXAHMNMAXOSD-DEOSSOPVSA-N 1 1 520.422 3.803 1 0 KHAFMO C[N@@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000066252400 562714783 /nfs/dbraw/zinc/71/47/83/562714783.db2.gz DVKBAUJJWCNXJA-XMMPIXPASA-N 1 1 520.422 3.803 1 0 KHAFMO C[N@@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000066252401 562714760 /nfs/dbraw/zinc/71/47/60/562714760.db2.gz DVKBAUJJWCNXJA-DEOSSOPVSA-N 1 1 520.422 3.803 1 0 KHAFMO COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1OC ZINC000066252580 562714818 /nfs/dbraw/zinc/71/48/18/562714818.db2.gz NFWQLYOXHONPIY-GJUCURFBSA-N 1 1 604.658 3.935 1 0 KHAFMO COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1OC ZINC000066252581 562714813 /nfs/dbraw/zinc/71/48/13/562714813.db2.gz NFWQLYOXHONPIY-WMIGZNRFSA-N 1 1 604.658 3.935 1 0 KHAFMO COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1 ZINC000066252582 562714806 /nfs/dbraw/zinc/71/48/06/562714806.db2.gz LCOOSQBBHCDKIK-OIEFUKHVSA-N 1 1 604.658 3.935 1 0 KHAFMO COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)c1 ZINC000066252583 562714823 /nfs/dbraw/zinc/71/48/23/562714823.db2.gz LCOOSQBBHCDKIK-XWSJTPCUSA-N 1 1 604.658 3.935 1 0 KHAFMO O=C(CC[NH+]1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2oc3ccccc3c21 ZINC000066252606 562714808 /nfs/dbraw/zinc/71/48/08/562714808.db2.gz QGOANDJDWKGVHM-UHFFFAOYSA-N 1 1 553.619 3.758 1 0 KHAFMO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](CCS(C)(=O)=O)CC3)ncc1Cl ZINC000066252816 562714958 /nfs/dbraw/zinc/71/49/58/562714958.db2.gz HTOHTWMWPRZGEK-UHFFFAOYSA-N 1 1 617.172 3.916 1 0 KHAFMO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](CCS(C)(=O)=O)CC3)ncc1Cl ZINC000066252816 562714957 /nfs/dbraw/zinc/71/49/57/562714957.db2.gz HTOHTWMWPRZGEK-UHFFFAOYSA-N 1 1 617.172 3.916 1 0 KHAFMO COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000066258458 562715025 /nfs/dbraw/zinc/71/50/25/562715025.db2.gz AWVFHDAVDXQSNU-UHFFFAOYSA-N 1 1 596.132 3.960 1 0 KHAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(N4CCOCC4)cc3)n1)CC[N@@H+](CC(=O)N(C)C)CC2 ZINC000066258459 562714988 /nfs/dbraw/zinc/71/49/88/562714988.db2.gz LUDLTMLKZHXLBG-UHFFFAOYSA-N 1 1 566.106 3.951 1 0 KHAFMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259174 562715191 /nfs/dbraw/zinc/71/51/91/562715191.db2.gz PSVOAFOGOJJKFG-UHFFFAOYSA-N 1 1 597.741 3.948 1 0 KHAFMO Nc1c(C(=O)NCCCOCCCCOCCCNC(=O)c2c[nH+]c3ccccc3c2N)cnc2ccccc21 ZINC000066259237 562715199 /nfs/dbraw/zinc/71/51/99/562715199.db2.gz XHMASXKNIKRKLD-UHFFFAOYSA-N 1 1 544.656 3.701 1 0 KHAFMO C[NH+]1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066259511 562715271 /nfs/dbraw/zinc/71/52/71/562715271.db2.gz ZULRBZHDVNLEGO-UHFFFAOYSA-N 1 1 568.703 3.752 1 0 KHAFMO COCC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066259669 562715324 /nfs/dbraw/zinc/71/53/24/562715324.db2.gz XWFFFSBKJSMVEY-UHFFFAOYSA-N 1 1 612.756 3.769 1 0 KHAFMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066259843 562715379 /nfs/dbraw/zinc/71/53/79/562715379.db2.gz FFFJJNMPTKKHIS-ASEUVAKXSA-N 1 1 544.606 3.918 1 0 KHAFMO O=C(/C=C/c1ccccc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066259844 562715368 /nfs/dbraw/zinc/71/53/68/562715368.db2.gz FFFJJNMPTKKHIS-VUKSNCGASA-N 1 1 544.606 3.918 1 0 KHAFMO C[C@@]1(c2cc(F)cc(F)c2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198651 562715951 /nfs/dbraw/zinc/71/59/51/562715951.db2.gz ZNURWERVOVVQIR-TWJUONSBSA-N 1 1 597.666 3.977 1 0 KHAFMO C[C@@]1(c2cc(F)cc(F)c2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)NC(c2ccccc2)=NC1=O ZINC000068198653 562715945 /nfs/dbraw/zinc/71/59/45/562715945.db2.gz ZNURWERVOVVQIR-UZNNEEJFSA-N 1 1 597.666 3.977 1 0 KHAFMO Cn1c2ccccc2c2c1CC[N@@H+](C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CC2 ZINC000068200748 562715924 /nfs/dbraw/zinc/71/59/24/562715924.db2.gz VBAGFAWQNDYXGA-UHFFFAOYSA-N 1 1 518.681 3.551 1 0 KHAFMO Cn1c2ccccc2c2c1CC[N@H+](C1CCN(C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)CC1)CC2 ZINC000068200748 562715923 /nfs/dbraw/zinc/71/59/23/562715923.db2.gz VBAGFAWQNDYXGA-UHFFFAOYSA-N 1 1 518.681 3.551 1 0 KHAFMO CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CC[NH+](C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@H]12 ZINC000068204725 562715992 /nfs/dbraw/zinc/71/59/92/562715992.db2.gz UTDIUZBVSSNGOU-QGNCETNGSA-N 1 1 597.757 3.607 1 0 KHAFMO COCCC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c2c3cc(-c3cccc(OC)c3)cc2C(N)=O)CC1 ZINC000068244845 562716092 /nfs/dbraw/zinc/71/60/92/562716092.db2.gz WPRFHYRCJKVGBS-UHFFFAOYSA-N 1 1 500.599 3.890 1 0 KHAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000068245738 562716077 /nfs/dbraw/zinc/71/60/77/562716077.db2.gz REOREADHBOUIHF-XMMPIXPASA-N 1 1 509.006 3.617 1 0 KHAFMO CS(=O)(=O)CC[NH+]1CCC(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000068247674 562716166 /nfs/dbraw/zinc/71/61/66/562716166.db2.gz VAUHRGCAUAQDDS-UHFFFAOYSA-N 1 1 553.710 3.767 1 0 KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COC2=C[C@@H]3C(=CC=C[N@@H+]3CCCO)C=C2)cc1 ZINC000071280735 562716534 /nfs/dbraw/zinc/71/65/34/562716534.db2.gz BSWXEYZBVSQHOV-BHDXBOSCSA-N 1 1 587.717 3.963 1 0 KHAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COC2=C[C@H]3C(=CC=C[N@@H+]3CCCO)C=C2)cc1 ZINC000071280741 562716550 /nfs/dbraw/zinc/71/65/50/562716550.db2.gz BSWXEYZBVSQHOV-NYDCQLBNSA-N 1 1 587.717 3.963 1 0 KHAFMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 ZINC000071281783 562716790 /nfs/dbraw/zinc/71/67/90/562716790.db2.gz BSHRHPDLDQVXJW-FFHOAYQKSA-N 1 1 512.617 3.680 1 0 KHAFMO CC[N@@H+](CCNC(=O)c1ccc2cc(I)ccc2n1)CCOc1cccnc1F ZINC000071295029 562717074 /nfs/dbraw/zinc/71/70/74/562717074.db2.gz OMIBNVOJDASANA-UHFFFAOYSA-N 1 1 508.335 3.504 1 0 KHAFMO CCOCCN(C[C@@H](O)C[N@H+]1CCCC2(CCN(c3ncnc4[nH]cc(C)c43)CC2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071296568 562717560 /nfs/dbraw/zinc/71/75/60/562717560.db2.gz ODFPLSCCVBAEFC-SANMLTNESA-N 1 1 598.814 3.654 1 0 KHAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000071315892 562717741 /nfs/dbraw/zinc/71/77/41/562717741.db2.gz VJEMANMMQVUJKL-RPLLCQBOSA-N 1 1 552.693 3.804 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccc(F)cc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071316441 562717957 /nfs/dbraw/zinc/71/79/57/562717957.db2.gz SBLAOOULRIXRFC-PCFFTZKOSA-N 1 1 552.606 3.995 1 0 KHAFMO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071316698 562717970 /nfs/dbraw/zinc/71/79/70/562717970.db2.gz JANLTTGWVGUGII-LSYYVWMOSA-N 1 1 534.694 3.690 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc4c(c3)OCO4)N12 ZINC000071316779 562718059 /nfs/dbraw/zinc/71/80/59/562718059.db2.gz PPJODYFRWIXBIM-VFXDQDQSSA-N 1 1 534.616 3.856 1 0 KHAFMO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(c3ncnc4ccccc43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071317064 562718129 /nfs/dbraw/zinc/71/81/29/562718129.db2.gz ABPGHPHYGKUEIO-HVNZXBJASA-N 1 1 581.783 3.627 1 0 KHAFMO CCN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC000071317115 562718166 /nfs/dbraw/zinc/71/81/66/562718166.db2.gz PHARLRFXLAGEPK-SANMLTNESA-N 1 1 579.207 3.649 1 0 KHAFMO CN(C)CCC[NH+]1CCC(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 ZINC000071317162 562718147 /nfs/dbraw/zinc/71/81/47/562718147.db2.gz HNIOCCUDARXKTR-UHFFFAOYSA-N 1 1 572.636 3.848 1 0 KHAFMO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(C4CCN(CCC[NH+](C)C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071317162 562718146 /nfs/dbraw/zinc/71/81/46/562718146.db2.gz HNIOCCUDARXKTR-UHFFFAOYSA-N 1 1 572.636 3.848 1 0 KHAFMO Cn1c2ccccc2c2c1[C@@H](c1ccc3c(c1)OCO3)N1C(=O)CN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)C(=O)[C@H]1C2 ZINC000071317878 562718337 /nfs/dbraw/zinc/71/83/37/562718337.db2.gz UNKPRBDEYNXTGM-JZTDYHMVSA-N 1 1 548.643 3.866 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4cc(F)ccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071317903 562718378 /nfs/dbraw/zinc/71/83/78/562718378.db2.gz OWLNWTATIRRFRY-PCFFTZKOSA-N 1 1 552.606 3.995 1 0 KHAFMO CN1CC[NH+](CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CC1 ZINC000071317947 562718370 /nfs/dbraw/zinc/71/83/70/562718370.db2.gz CZMKFOMPEOIEET-LJAQVGFWSA-N 1 1 569.171 3.896 1 0 KHAFMO C[N@@H+](CCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc3c(c2)OCO3)C1=O)Cc1ccccc1 ZINC000071317973 562718358 /nfs/dbraw/zinc/71/83/58/562718358.db2.gz AHKXSEGPAYMORE-FYBSXPHGSA-N 1 1 522.605 3.714 1 0 KHAFMO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)[C@@H](O)[C@H](Cc2ccc(O)c(Br)c2)C1 ZINC000071329245 562718819 /nfs/dbraw/zinc/71/88/19/562718819.db2.gz DPPDCMCLHYHXQI-FMEYXAORSA-N 1 1 509.249 3.568 1 0 KHAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)CC1CC1 ZINC000071329665 562718997 /nfs/dbraw/zinc/71/89/97/562718997.db2.gz MIGAYPGLYCKTFK-UHFFFAOYSA-N 1 1 520.081 3.740 1 0 KHAFMO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[N@H+]4CCCC(C)(C)C4)ccc32)cc1 ZINC000071334015 562719551 /nfs/dbraw/zinc/71/95/51/562719551.db2.gz PDSRDBIHGJPAEP-VSGBNLITSA-N 1 1 566.768 3.690 1 0 KHAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000071388877 562720096 /nfs/dbraw/zinc/72/00/96/562720096.db2.gz YXAPAHXXQYBYMZ-SANMLTNESA-N 1 1 550.107 3.509 1 0 KHAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000071388878 562720079 /nfs/dbraw/zinc/72/00/79/562720079.db2.gz YXAPAHXXQYBYMZ-AREMUKBSSA-N 1 1 550.107 3.509 1 0 KHAFMO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104722 562720637 /nfs/dbraw/zinc/72/06/37/562720637.db2.gz YJKSAZNNFSPSJE-QHCPKHFHSA-N 1 1 568.118 3.779 1 0 KHAFMO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104723 562720633 /nfs/dbraw/zinc/72/06/33/562720633.db2.gz YJKSAZNNFSPSJE-HSZRJFAPSA-N 1 1 568.118 3.779 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1 ZINC000072105341 562720830 /nfs/dbraw/zinc/72/08/30/562720830.db2.gz QFXCEXQJGXBAQP-XCZPVHLTSA-N 1 1 521.036 3.973 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1 ZINC000072105342 562720800 /nfs/dbraw/zinc/72/08/00/562720800.db2.gz QFXCEXQJGXBAQP-XTEPFMGCSA-N 1 1 521.036 3.973 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1C[C@H]2C[C@@H]1CN2C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 ZINC000072105481 562720803 /nfs/dbraw/zinc/72/08/03/562720803.db2.gz DAGAWQYMJXWJFK-PFBJBMPXSA-N 1 1 516.592 3.599 1 0 KHAFMO [NH3+][C@@H](CC(=O)N[C@@H]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000072106024 562720859 /nfs/dbraw/zinc/72/08/59/562720859.db2.gz DSLSTQPUTJKYDA-FTJBHMTQSA-N 1 1 504.581 3.505 1 0 KHAFMO [NH3+][C@@H](CC(=O)N[C@H]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000072106025 562720872 /nfs/dbraw/zinc/72/08/72/562720872.db2.gz DSLSTQPUTJKYDA-UIOOFZCWSA-N 1 1 504.581 3.505 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1CCCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106043 562720897 /nfs/dbraw/zinc/72/08/97/562720897.db2.gz XXKUGHXANQDZRQ-MHZLTWQESA-N 1 1 518.608 3.848 1 0 KHAFMO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106312 562720998 /nfs/dbraw/zinc/72/09/98/562720998.db2.gz VPBCSCMAXYQTKD-JOCHJYFZSA-N 1 1 500.018 3.503 1 0 KHAFMO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106313 562721007 /nfs/dbraw/zinc/72/10/07/562721007.db2.gz VPBCSCMAXYQTKD-QFIPXVFZSA-N 1 1 500.018 3.503 1 0 KHAFMO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1F ZINC000072106701 562721065 /nfs/dbraw/zinc/72/10/65/562721065.db2.gz SOTMHSTZVGLJAR-HXUWFJFHSA-N 1 1 500.018 3.503 1 0 KHAFMO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1F ZINC000072106702 562721085 /nfs/dbraw/zinc/72/10/85/562721085.db2.gz SOTMHSTZVGLJAR-FQEVSTJZSA-N 1 1 500.018 3.503 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106790 562721152 /nfs/dbraw/zinc/72/11/52/562721152.db2.gz HNVDBWUDPUTVEW-XCZPVHLTSA-N 1 1 503.046 3.833 1 0 KHAFMO [NH3+][C@@H](CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106791 562721124 /nfs/dbraw/zinc/72/11/24/562721124.db2.gz HNVDBWUDPUTVEW-XTEPFMGCSA-N 1 1 503.046 3.833 1 0 KHAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)nn1)c(=O)n2Cc1c(F)cccc1F ZINC000072108650 562721455 /nfs/dbraw/zinc/72/14/55/562721455.db2.gz HWPZRJVNQZIXSF-UHFFFAOYSA-N 1 1 667.695 3.767 1 0 KHAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(CC(C)(C)O)c(=O)n2Cc1c(F)cccc1F ZINC000072108834 562721525 /nfs/dbraw/zinc/72/15/25/562721525.db2.gz HMQGLDJTYFDJPH-UHFFFAOYSA-N 1 1 631.702 3.750 1 0 KHAFMO COCCn1c(=O)c2c(C[N@@H+](C)CCOC)c(-c3ccc(NC(=O)NOC)cc3)sc2n(Cc2c(F)cccc2F)c1=O ZINC000072109383 562721621 /nfs/dbraw/zinc/72/16/21/562721621.db2.gz QRTSHMJMRAGQCG-UHFFFAOYSA-N 1 1 617.675 3.626 1 0 KHAFMO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072110072 562721697 /nfs/dbraw/zinc/72/16/97/562721697.db2.gz ONGZPLXDAUYHCV-HHHXNRCGSA-N 1 1 512.605 3.785 1 0 KHAFMO CCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072110073 562721707 /nfs/dbraw/zinc/72/17/07/562721707.db2.gz ONGZPLXDAUYHCV-MHZLTWQESA-N 1 1 512.605 3.785 1 0 KHAFMO CCOCCn1cc(CCCOc2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2OC)nn1 ZINC000072111159 562721943 /nfs/dbraw/zinc/72/19/43/562721943.db2.gz WFNJZMXOSUJROE-UHFFFAOYSA-N 1 1 509.651 3.666 1 0 KHAFMO Cn1ccc2c3ccoc3c3c(c21)C(=O)N(CCNCCC[NH2+]CCN1C(=O)c2c4occc4c4ccn(C)c4c2C1=O)C3=O ZINC000072113196 562722272 /nfs/dbraw/zinc/72/22/72/562722272.db2.gz DQFFTXJHNMYVCX-UHFFFAOYSA-N 1 1 606.639 3.624 1 0 KHAFMO O=C1C(c2ccco2)=C(c2cccs2)C(=O)N1CCNCCC[NH2+]CCN1C(=O)C(c2ccco2)=C(c2cccs2)C1=O ZINC000072116582 562723166 /nfs/dbraw/zinc/72/31/66/562723166.db2.gz JSUOACIXQMMDKB-UHFFFAOYSA-N 1 1 616.721 3.824 1 0 KHAFMO C[NH+](C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC000072132804 562726886 /nfs/dbraw/zinc/72/68/86/562726886.db2.gz MNWDCTGDUVTVRO-WQOITCGXSA-N 1 1 681.944 3.751 1 0 KHAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000072139864 562729105 /nfs/dbraw/zinc/72/91/05/562729105.db2.gz GPNSKMDEBNTBNC-ZLGUVYLKSA-N 1 1 544.437 3.880 1 0 KHAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000072139865 562729090 /nfs/dbraw/zinc/72/90/90/562729090.db2.gz GPNSKMDEBNTBNC-DQLDELGASA-N 1 1 544.437 3.880 1 0 KHAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000072139866 562729079 /nfs/dbraw/zinc/72/90/79/562729079.db2.gz GPNSKMDEBNTBNC-ORYQWCPZSA-N 1 1 544.437 3.880 1 0 KHAFMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000072139867 562729072 /nfs/dbraw/zinc/72/90/72/562729072.db2.gz GPNSKMDEBNTBNC-NDXORKPFSA-N 1 1 544.437 3.880 1 0 KHAFMO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)c1ccc(Cl)cc1 ZINC000072141274 562729338 /nfs/dbraw/zinc/72/93/38/562729338.db2.gz FOKWDPRXQQGFID-UHFFFAOYSA-N 1 1 524.790 3.655 1 0 KHAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccncc1 ZINC000072173082 562730774 /nfs/dbraw/zinc/73/07/74/562730774.db2.gz PYLOGSUGDKKSFN-HHHXNRCGSA-N 1 1 587.553 3.932 1 0 KHAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccncc1 ZINC000072173083 562730782 /nfs/dbraw/zinc/73/07/82/562730782.db2.gz PYLOGSUGDKKSFN-MHZLTWQESA-N 1 1 587.553 3.932 1 0 KHAFMO Cc1cc(-c2[nH]nc(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000072173088 562730788 /nfs/dbraw/zinc/73/07/88/562730788.db2.gz ZOWYTOZHDHUEQQ-HXUWFJFHSA-N 1 1 526.688 3.685 1 0 KHAFMO Cc1cc(-c2[nH]nc(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000072173088 562730787 /nfs/dbraw/zinc/73/07/87/562730787.db2.gz ZOWYTOZHDHUEQQ-HXUWFJFHSA-N 1 1 526.688 3.685 1 0 KHAFMO Cc1cc(-c2n[nH]c(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000072173088 562730786 /nfs/dbraw/zinc/73/07/86/562730786.db2.gz ZOWYTOZHDHUEQQ-HXUWFJFHSA-N 1 1 526.688 3.685 1 0 KHAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1cccnc1 ZINC000072173142 562730811 /nfs/dbraw/zinc/73/08/11/562730811.db2.gz LOFHTUQBPDIWMT-HHHXNRCGSA-N 1 1 587.553 3.932 1 0 KHAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1cccnc1 ZINC000072173143 562730798 /nfs/dbraw/zinc/73/07/98/562730798.db2.gz LOFHTUQBPDIWMT-MHZLTWQESA-N 1 1 587.553 3.932 1 0 KHAFMO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c(C)c1 ZINC000072173269 562730906 /nfs/dbraw/zinc/73/09/06/562730906.db2.gz SRTKLWQZTRBGPC-UHFFFAOYSA-N 1 1 547.677 3.749 1 0 KHAFMO CC(C)C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174860 562731198 /nfs/dbraw/zinc/73/11/98/562731198.db2.gz OTMGGFOSQIFCQN-RUZDIDTESA-N 1 1 552.548 3.880 1 0 KHAFMO CC(C)C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174861 562731188 /nfs/dbraw/zinc/73/11/88/562731188.db2.gz OTMGGFOSQIFCQN-VWLOTQADSA-N 1 1 552.548 3.880 1 0 KHAFMO CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC[N@H+](CCOC)CC3)ncc1Cl ZINC000072174862 562731213 /nfs/dbraw/zinc/73/12/13/562731213.db2.gz RKSKGSQDRZHVPG-DHIUTWEWSA-N 1 1 537.130 3.583 1 0 KHAFMO COCC[N@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C4CC4)n3)cc2CC1 ZINC000072174973 562731223 /nfs/dbraw/zinc/73/12/23/562731223.db2.gz VCDZNTKQCSUNQC-DNQXCXABSA-N 1 1 549.141 3.726 1 0 KHAFMO COCC[N@H+]1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 ZINC000072174999 562731238 /nfs/dbraw/zinc/73/12/38/562731238.db2.gz CDTMQKLFPXZZMW-FYYLOGMGSA-N 1 1 567.156 3.544 1 0 KHAFMO COCC[N@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C(C)C)n3)cc2CC1 ZINC000072175016 562731232 /nfs/dbraw/zinc/73/12/32/562731232.db2.gz WGJBSJUYFRIRHW-DNQXCXABSA-N 1 1 551.157 3.972 1 0 KHAFMO CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](CCOC)CC3)ncc1Cl)S(C)(=O)=O ZINC000072175584 562731372 /nfs/dbraw/zinc/73/13/72/562731372.db2.gz LIWMTOPLJLFZKX-ISKFKSNPSA-N 1 1 581.183 3.934 1 0 KHAFMO CCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175588 562731385 /nfs/dbraw/zinc/73/13/85/562731385.db2.gz SEVFSJOYSBTPMA-XMMPIXPASA-N 1 1 538.521 3.634 1 0 KHAFMO CCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175589 562731364 /nfs/dbraw/zinc/73/13/64/562731364.db2.gz SEVFSJOYSBTPMA-DEOSSOPVSA-N 1 1 538.521 3.634 1 0 KHAFMO Cc1cccc(S(=O)(=O)Nc2cccc(-c3cc(Nc4cc(N5CC[NH+](C)CC5)nc(C)n4)n[nH]3)c2)c1 ZINC000072177582 562731829 /nfs/dbraw/zinc/73/18/29/562731829.db2.gz ZEFQETLZQIQBNG-UHFFFAOYSA-N 1 1 518.647 3.780 1 0 KHAFMO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC000072177754 562731864 /nfs/dbraw/zinc/73/18/64/562731864.db2.gz VXQTWMIVXIBFIP-MHDHXZMLSA-N 1 1 608.743 3.604 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](OC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178881 562732182 /nfs/dbraw/zinc/73/21/82/562732182.db2.gz KZBSEJKXWKPCLO-VQTJNVASSA-N 1 1 550.689 3.844 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](OC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178881 562732181 /nfs/dbraw/zinc/73/21/81/562732181.db2.gz KZBSEJKXWKPCLO-VQTJNVASSA-N 1 1 550.689 3.844 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4C[C@H](OC(C)(C)C)C[C@@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178994 562732199 /nfs/dbraw/zinc/73/21/99/562732199.db2.gz KZBSEJKXWKPCLO-WOJBJXKFSA-N 1 1 550.689 3.844 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4C[C@H](OC(C)(C)C)C[C@@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178994 562732198 /nfs/dbraw/zinc/73/21/98/562732198.db2.gz KZBSEJKXWKPCLO-WOJBJXKFSA-N 1 1 550.689 3.844 1 0 KHAFMO C[NH+]1CCN(C2(CNC(=O)N3CCC(c4nc(-c5ccc6ccccc6n5)no4)CC3)CCCC2)CC1 ZINC000072179682 562732359 /nfs/dbraw/zinc/73/23/59/562732359.db2.gz SUYSCXGFAKXADD-UHFFFAOYSA-N 1 1 503.651 3.734 1 0 KHAFMO COc1ccc(CN(CC[N@@H+](C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1 ZINC000073138848 562733407 /nfs/dbraw/zinc/73/34/07/562733407.db2.gz XUSZWVLIKIUVKA-UHFFFAOYSA-N 1 1 526.685 3.968 1 0 KHAFMO C[NH+]1CCN(C(=O)[C@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000073140648 562733643 /nfs/dbraw/zinc/73/36/43/562733643.db2.gz REOREADHBOUIHF-DEOSSOPVSA-N 1 1 509.006 3.617 1 0 KHAFMO Cc1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000073156287 562733796 /nfs/dbraw/zinc/73/37/96/562733796.db2.gz HRTMPRUBSSPKAJ-AREMUKBSSA-N 1 1 502.615 3.580 1 0 KHAFMO Cc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)N2CC[NH+](C)CC2)c(Oc2ccc(Cl)cc2)n1 ZINC000073156295 562733786 /nfs/dbraw/zinc/73/37/86/562733786.db2.gz PPQHJJHSMFMAHE-RUZDIDTESA-N 1 1 523.033 3.925 1 0 KHAFMO CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)nn21)S(C)(=O)=O ZINC000073157589 562733899 /nfs/dbraw/zinc/73/38/99/562733899.db2.gz YKWILWXFQSULJA-UHFFFAOYSA-N 1 1 526.066 3.941 1 0 KHAFMO CC(=O)O[C@H](CN1C(=O)N(C)C(=O)C1(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073160081 562734042 /nfs/dbraw/zinc/73/40/42/562734042.db2.gz YLYDQBFPJRGMTH-NDEPHWFRSA-N 1 1 526.637 3.578 1 0 KHAFMO CC(=O)O[C@@H](CN1C(=O)N(C)C(=O)C1(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000073160085 562734064 /nfs/dbraw/zinc/73/40/64/562734064.db2.gz YLYDQBFPJRGMTH-MUUNZHRXSA-N 1 1 526.637 3.578 1 0 KHAFMO COC(=O)CN1C(=O)N(CCCCCCCC[NH+]2CCNCC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000073164244 562734256 /nfs/dbraw/zinc/73/42/56/562734256.db2.gz VKYCMHUNEHRROD-UHFFFAOYSA-N 1 1 520.674 3.613 1 0 KHAFMO Cc1ncc(COC[C@@H](NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C(=O)N2CC[NH+](C)CC2)o1 ZINC000073165657 562734455 /nfs/dbraw/zinc/73/44/55/562734455.db2.gz PBCZOAJIAODBER-OAQYLSRUSA-N 1 1 581.979 3.932 1 0 KHAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2)CC1 ZINC000073167571 562734630 /nfs/dbraw/zinc/73/46/30/562734630.db2.gz TZELTTMKMYHXCR-XMMPIXPASA-N 1 1 526.996 3.756 1 0 KHAFMO Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N[C@H](COCc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000073168763 562734798 /nfs/dbraw/zinc/73/47/98/562734798.db2.gz DEJVRMYNHGSXLQ-XMMPIXPASA-N 1 1 523.033 3.925 1 0 KHAFMO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)[C@H](C)C[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000073168862 562734790 /nfs/dbraw/zinc/73/47/90/562734790.db2.gz DZDUGXXLTINBRG-JPYJTQIMSA-N 1 1 525.097 3.925 1 0 KHAFMO CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@@H](NC(=O)C[NH+](C)C)CC3(C)C)ncc1Cl ZINC000073169651 562734856 /nfs/dbraw/zinc/73/48/56/562734856.db2.gz HLDBRFJDIQDEFJ-NRFANRHFSA-N 1 1 583.068 3.782 1 0 KHAFMO CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@H](NC(=O)C[NH+](C)C)CC3(C)C)ncc1Cl ZINC000073169654 562734858 /nfs/dbraw/zinc/73/48/58/562734858.db2.gz HLDBRFJDIQDEFJ-OAQYLSRUSA-N 1 1 583.068 3.782 1 0 KHAFMO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)CC[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000073196223 562735086 /nfs/dbraw/zinc/73/50/86/562735086.db2.gz MTQZOCNPQLFHLE-QFIPXVFZSA-N 1 1 511.070 3.536 1 0 KHAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000073197458 562735391 /nfs/dbraw/zinc/73/53/91/562735391.db2.gz FGXRYORWZGATHJ-JCTONOIOSA-N 1 1 553.647 3.903 1 0 KHAFMO CC(C)[N@@H+](C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 ZINC000073197459 562735360 /nfs/dbraw/zinc/73/53/60/562735360.db2.gz FGXRYORWZGATHJ-FJIJXJHWSA-N 1 1 553.647 3.903 1 0 KHAFMO C[NH+]1CCC(N2CCN(c3nc(NCCc4ccc(F)cc4)nc(NCCc4ccc(F)cc4)n3)CC2)CC1 ZINC000073200433 562736137 /nfs/dbraw/zinc/73/61/37/562736137.db2.gz SAZMDTXHGDRZHC-UHFFFAOYSA-N 1 1 536.675 3.675 1 0 KHAFMO CC[N@@H+]1CC(=Cc2cc(OC)c(OC)c(OC)c2)C2=NC(=S)N[C@@H](c3cc(OC)c(OC)c(OC)c3)C2C1 ZINC000073298404 562737763 /nfs/dbraw/zinc/73/77/63/562737763.db2.gz VOPZVJNXHVVVFM-AVQBUJNVSA-N 1 1 541.670 3.930 1 0 KHAFMO CC[N@@H+]1CC(=Cc2cc(OC)c(OC)c(OC)c2)C2=NC(=S)N[C@H](c3cc(OC)c(OC)c(OC)c3)C2C1 ZINC000073298407 562737815 /nfs/dbraw/zinc/73/78/15/562737815.db2.gz VOPZVJNXHVVVFM-CIOPSUNISA-N 1 1 541.670 3.930 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000082136163 562738916 /nfs/dbraw/zinc/73/89/16/562738916.db2.gz RYHSGCXJLCXQNY-BHIIZCCYSA-N 1 1 736.910 3.538 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000082136166 562738926 /nfs/dbraw/zinc/73/89/26/562738926.db2.gz RYHSGCXJLCXQNY-BPQGAVCVSA-N 1 1 736.910 3.538 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000082136168 562738888 /nfs/dbraw/zinc/73/88/88/562738888.db2.gz RYHSGCXJLCXQNY-RLGMKUBISA-N 1 1 736.910 3.538 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000082136172 562738912 /nfs/dbraw/zinc/73/89/12/562738912.db2.gz RYHSGCXJLCXQNY-VJHFPMCYSA-N 1 1 736.910 3.538 1 0 KHAFMO CCC[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082150500 562739816 /nfs/dbraw/zinc/73/98/16/562739816.db2.gz DCNNUQXERPVVAU-JCTONOIOSA-N 1 1 553.647 3.904 1 0 KHAFMO [NH3+]CCN1CCN(c2nc(NCCc3ccc(Cl)cc3)nc(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000082153539 562740227 /nfs/dbraw/zinc/74/02/27/562740227.db2.gz GXLWKHKZDXOSPZ-UHFFFAOYSA-N 1 1 515.493 3.568 1 0 KHAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 ZINC000082156679 562740743 /nfs/dbraw/zinc/74/07/43/562740743.db2.gz FGXRYORWZGATHJ-ODGPQVTHSA-N 1 1 553.647 3.903 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000082164590 562741214 /nfs/dbraw/zinc/74/12/14/562741214.db2.gz ZRTJTRKZHALIGW-YCVJPRETSA-N 1 1 702.691 3.651 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccncc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000084409967 562743080 /nfs/dbraw/zinc/74/30/80/562743080.db2.gz LJMLRDFXBGZNOB-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccncc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000084409967 562743079 /nfs/dbraw/zinc/74/30/79/562743079.db2.gz LJMLRDFXBGZNOB-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(NCCO)C1CC[NH+](Cc2nc(-c3cn(CC4CCOCC4)c4c3cccc4Cl)ns2)CC1 ZINC000084587626 562743532 /nfs/dbraw/zinc/74/35/32/562743532.db2.gz GIYXHIARXSJFMH-UHFFFAOYSA-N 1 1 518.083 3.560 1 0 KHAFMO CN(C)S(=O)(=O)c1cc(F)ccc1-c1nc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)ncc1Cl ZINC000084596604 562743727 /nfs/dbraw/zinc/74/37/27/562743727.db2.gz FAFKQPHWLBYNEY-UHFFFAOYSA-N 1 1 519.046 3.677 1 0 KHAFMO CCC(=O)c1cc(NCC[NH+]2CCCC2)c(C)c(N2CCN(c3[nH+]cnc4[n-]nc(Br)c43)CC2)c1 ZINC000084596941 562743880 /nfs/dbraw/zinc/74/38/80/562743880.db2.gz DEJZGAXRKVTAOI-UHFFFAOYSA-N 1 1 541.498 3.851 1 0 KHAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccc6c(c5)OCO6)C4)CC(=O)N32)cc1OC ZINC000084597078 562743918 /nfs/dbraw/zinc/74/39/18/562743918.db2.gz PVXXLHQEWFIPAV-QEBBAMHSSA-N 1 1 594.668 3.873 1 0 KHAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccc6c(c5)OCO6)C4)CC(=O)N32)cc1OC ZINC000084597078 562743917 /nfs/dbraw/zinc/74/39/17/562743917.db2.gz PVXXLHQEWFIPAV-QEBBAMHSSA-N 1 1 594.668 3.873 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](CCc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084602822 562744088 /nfs/dbraw/zinc/74/40/88/562744088.db2.gz DDFNDADPVSFPRY-YYKZIPJASA-N 1 1 548.643 3.899 1 0 KHAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)cc1O ZINC000084603968 562744242 /nfs/dbraw/zinc/74/42/42/562744242.db2.gz BLUICHUIBBYUNP-PCFFTZKOSA-N 1 1 536.632 3.842 1 0 KHAFMO COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)ccc1O ZINC000084603970 562744219 /nfs/dbraw/zinc/74/42/19/562744219.db2.gz GSHABNYARZGBHU-PCFFTZKOSA-N 1 1 536.632 3.842 1 0 KHAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3CC3)CC2)CCCCC1 ZINC000084611190 562744336 /nfs/dbraw/zinc/74/43/36/562744336.db2.gz GSHQVUPUAPAKNZ-MUUNZHRXSA-N 1 1 565.158 3.983 1 0 KHAFMO COc1ccc(-c2nc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084615378 562744465 /nfs/dbraw/zinc/74/44/65/562744465.db2.gz HHBCFJBFFOKCIJ-UHFFFAOYSA-N 1 1 534.516 3.709 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4nonc4c3)N12 ZINC000084617504 562744909 /nfs/dbraw/zinc/74/49/09/562744909.db2.gz KNLDUAWIPCRXMQ-AQEANLGOSA-N 1 1 532.604 3.664 1 0 KHAFMO Cc1noc(-c2cc(NCC[NH+]3CCCC3)c(C)c(N3CCN(c4[nH+]cnc5[n-]nc(Br)c54)CC3)c2)n1 ZINC000084617957 562744982 /nfs/dbraw/zinc/74/49/82/562744982.db2.gz HGCQHRUBKWVKHA-UHFFFAOYSA-N 1 1 567.496 3.617 1 0 KHAFMO Cc1cnc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)nc1-c1ccc(F)cc1S(=O)(=O)N1CCCC1 ZINC000084618181 562745090 /nfs/dbraw/zinc/74/50/90/562745090.db2.gz ROMWGAVCDHKSEF-UHFFFAOYSA-N 1 1 524.666 3.867 1 0 KHAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(F)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084618186 562745055 /nfs/dbraw/zinc/74/50/55/562745055.db2.gz OIZOEFZBWPPINW-UHFFFAOYSA-N 1 1 528.629 3.697 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084618276 562745061 /nfs/dbraw/zinc/74/50/61/562745061.db2.gz ZXMSLCHJMUQKLG-SFHVURJKSA-N 1 1 558.672 3.605 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084618276 562745060 /nfs/dbraw/zinc/74/50/60/562745060.db2.gz ZXMSLCHJMUQKLG-SFHVURJKSA-N 1 1 558.672 3.605 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084618278 562745047 /nfs/dbraw/zinc/74/50/47/562745047.db2.gz ZXMSLCHJMUQKLG-GOSISDBHSA-N 1 1 558.672 3.605 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084618278 562745046 /nfs/dbraw/zinc/74/50/46/562745046.db2.gz ZXMSLCHJMUQKLG-GOSISDBHSA-N 1 1 558.672 3.605 1 0 KHAFMO O=C(C[C@H](NCc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084618932 562745175 /nfs/dbraw/zinc/74/51/75/562745175.db2.gz ZJTUGHFBQAMQEE-YTTGMZPUSA-N 1 1 626.806 3.927 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632187 562745469 /nfs/dbraw/zinc/74/54/69/562745469.db2.gz HSHDMLKUROTFFL-KRWDZBQOSA-N 1 1 546.661 3.638 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632187 562745468 /nfs/dbraw/zinc/74/54/68/562745468.db2.gz HSHDMLKUROTFFL-KRWDZBQOSA-N 1 1 546.661 3.638 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632189 562745443 /nfs/dbraw/zinc/74/54/43/562745443.db2.gz HSHDMLKUROTFFL-QGZVFWFLSA-N 1 1 546.661 3.638 1 0 KHAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632189 562745442 /nfs/dbraw/zinc/74/54/42/562745442.db2.gz HSHDMLKUROTFFL-QGZVFWFLSA-N 1 1 546.661 3.638 1 0 KHAFMO CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCN(S(C)(=O)=O)CC1 ZINC000084632213 562745498 /nfs/dbraw/zinc/74/54/98/562745498.db2.gz DZCIIANMVNXADX-LOYHVIPDSA-N 1 1 644.282 3.586 1 0 KHAFMO CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCN(S(C)(=O)=O)CC1 ZINC000084632215 562745492 /nfs/dbraw/zinc/74/54/92/562745492.db2.gz DZCIIANMVNXADX-XZWHSSHBSA-N 1 1 644.282 3.586 1 0 KHAFMO Cc1c(NCC[NH+]2CCCC2)cc(Cl)cc1N1CCN(c2[nH+]cnc3[n-]nc(Br)c32)CC1 ZINC000084632364 562745512 /nfs/dbraw/zinc/74/55/12/562745512.db2.gz VPUFQSGUFCOEEC-UHFFFAOYSA-N 1 1 519.879 3.912 1 0 KHAFMO CCOc1cc(NCC[NH+]2CCCC2)c(C)c(N2CCN(c3[nH+]cnc4[n-]nc(Br)c43)CC2)c1 ZINC000084632479 562745539 /nfs/dbraw/zinc/74/55/39/562745539.db2.gz HNGORDVZNLENER-UHFFFAOYSA-N 1 1 529.487 3.657 1 0 KHAFMO COc1ccc(C[N@H+]2CC[C@@H](N3CC(=O)N4[C@H](Cc5c6ccccc6[nH]c5[C@H]4c4ccc5c(c4)OCO5)C3=O)C2)cc1 ZINC000084633327 562745725 /nfs/dbraw/zinc/74/57/25/562745725.db2.gz MIUDXXHDQZQODC-ZGJWRPMSSA-N 1 1 564.642 3.865 1 0 KHAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCOCC4)n3)cc2)CC1 ZINC000084633965 562745817 /nfs/dbraw/zinc/74/58/17/562745817.db2.gz QORUQTSRXZQJSI-UHFFFAOYSA-N 1 1 576.098 3.525 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](CCOc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084633971 562745828 /nfs/dbraw/zinc/74/58/28/562745828.db2.gz FUDBHAWOKCVAEO-ZGJWRPMSSA-N 1 1 564.642 3.735 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCCO4)N12 ZINC000084635125 562746091 /nfs/dbraw/zinc/74/60/91/562746091.db2.gz IWHQCOIEYSLRCR-YYKZIPJASA-N 1 1 548.643 3.899 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](CC3CCCC3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635152 562746115 /nfs/dbraw/zinc/74/61/15/562746115.db2.gz WXYKUHWQEKWQNW-WIISGGPLSA-N 1 1 526.637 3.846 1 0 KHAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccc(C)c(Cl)c2)CC1 ZINC000084635473 562746198 /nfs/dbraw/zinc/74/61/98/562746198.db2.gz MOMSKEJCDQYLFF-WMPKNSHKSA-N 1 1 581.161 3.741 1 0 KHAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635504 562746187 /nfs/dbraw/zinc/74/61/87/562746187.db2.gz SUZCPGPQKAJVFM-NZERDHAXSA-N 1 1 578.625 3.585 1 0 KHAFMO O=C1CN([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635504 562746186 /nfs/dbraw/zinc/74/61/86/562746186.db2.gz SUZCPGPQKAJVFM-NZERDHAXSA-N 1 1 578.625 3.585 1 0 KHAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(O)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084635716 562746218 /nfs/dbraw/zinc/74/62/18/562746218.db2.gz PMUGDSIYZDFHKE-UHFFFAOYSA-N 1 1 558.108 3.855 1 0 KHAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(C2)OC(=O)N(C(C)C)C3=O)CC1 ZINC000084653457 562746858 /nfs/dbraw/zinc/74/68/58/562746858.db2.gz FUUOXSZQIOKPPS-HHHXNRCGSA-N 1 1 556.689 3.573 1 0 KHAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(C2)OC(=O)N(C(C)C)C3=O)CC1 ZINC000084653458 562746845 /nfs/dbraw/zinc/74/68/45/562746845.db2.gz FUUOXSZQIOKPPS-MHZLTWQESA-N 1 1 556.689 3.573 1 0 KHAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(C2)N=C(C)N(C(C)C)C3=O)CC1 ZINC000084653459 562746853 /nfs/dbraw/zinc/74/68/53/562746853.db2.gz JYAWOELLOJIOGA-MUUNZHRXSA-N 1 1 553.733 3.854 1 0 KHAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(C2)N=C(C)N(C(C)C)C3=O)CC1 ZINC000084653460 562746878 /nfs/dbraw/zinc/74/68/78/562746878.db2.gz JYAWOELLOJIOGA-NDEPHWFRSA-N 1 1 553.733 3.854 1 0 KHAFMO CCN1C(=O)[C@@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)N=C1C(C)C ZINC000084668640 562747705 /nfs/dbraw/zinc/74/77/05/562747705.db2.gz HHBWOUJUTZISGG-MHZLTWQESA-N 1 1 524.691 3.748 1 0 KHAFMO CCN1C(=O)[C@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)N=C1C(C)C ZINC000084668641 562747719 /nfs/dbraw/zinc/74/77/19/562747719.db2.gz HHBWOUJUTZISGG-HHHXNRCGSA-N 1 1 524.691 3.748 1 0 KHAFMO CCC1=N[C@@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)C(=O)N1CC ZINC000084669001 562747828 /nfs/dbraw/zinc/74/78/28/562747828.db2.gz LJTZXAQDQKSUFJ-AREMUKBSSA-N 1 1 510.664 3.502 1 0 KHAFMO CCC1=N[C@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(N)=O)CC3)C2)C(=O)N1CC ZINC000084669002 562747804 /nfs/dbraw/zinc/74/78/04/562747804.db2.gz LJTZXAQDQKSUFJ-SANMLTNESA-N 1 1 510.664 3.502 1 0 KHAFMO CN1CC[NH+](CCCNC(=O)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)cn2CC[C@H](O)CO)CC1 ZINC000084669251 562747933 /nfs/dbraw/zinc/74/79/33/562747933.db2.gz DXJMWRCEEVNUJU-VWLOTQADSA-N 1 1 525.093 3.586 1 0 in-vitro KHAFMO Cc1c(-c2cc3cnc(Nc4cc(C(=O)N5CC[NH+](C)CC5)n(C)c4)nc3n2C2CCCC2)cnn1C ZINC000084669766 562748068 /nfs/dbraw/zinc/74/80/68/562748068.db2.gz HCDXOVUMIOIELK-UHFFFAOYSA-N 1 1 501.639 3.725 1 0 KHAFMO CN1C(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000084672022 562748701 /nfs/dbraw/zinc/74/87/01/562748701.db2.gz KWLDOZWPBUYGQO-XMMPIXPASA-N 1 1 519.045 3.661 1 0 KHAFMO CN1C(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000084672023 562748704 /nfs/dbraw/zinc/74/87/04/562748704.db2.gz KWLDOZWPBUYGQO-DEOSSOPVSA-N 1 1 519.045 3.661 1 0 KHAFMO COc1ccc2cc(C(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@H+]5CC4CC4)[C@H]3O7)ccc2c1 ZINC000084688695 562749246 /nfs/dbraw/zinc/74/92/46/562749246.db2.gz PTSRONBSHBKIEY-RQZMOBKGSA-N 1 1 526.633 3.917 1 0 KHAFMO COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000084688696 562749228 /nfs/dbraw/zinc/74/92/28/562749228.db2.gz KDBOGMDNQORPHX-BYXCPYIISA-N 1 1 526.633 3.917 1 0 KHAFMO O=C(N[C@H](Cc1ccc2nn[nH]c2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084707405 562750096 /nfs/dbraw/zinc/75/00/96/562750096.db2.gz GTTXVOAFXQHQKC-SSEXGKCCSA-N 1 1 613.767 3.568 1 0 KHAFMO O=C(N[C@H](Cc1ccc2[nH]nnc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084707405 562750095 /nfs/dbraw/zinc/75/00/95/562750095.db2.gz GTTXVOAFXQHQKC-SSEXGKCCSA-N 1 1 613.767 3.568 1 0 KHAFMO Cc1[nH+]c(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2N)s1 ZINC000084707430 562750073 /nfs/dbraw/zinc/75/00/73/562750073.db2.gz FNNVJISGGIXAPY-HRFIWYMSSA-N 1 1 591.616 3.625 1 0 KHAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000084710415 562750456 /nfs/dbraw/zinc/75/04/56/562750456.db2.gz BZKSURTZAZDUCA-NVQXNPDNSA-N 1 1 503.628 3.780 1 0 KHAFMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000084710419 562750526 /nfs/dbraw/zinc/75/05/26/562750526.db2.gz BZKSURTZAZDUCA-BKMJKUGQSA-N 1 1 503.628 3.780 1 0 KHAFMO C[C@@]1(c2cc(F)cc(F)c2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000084710972 562750547 /nfs/dbraw/zinc/75/05/47/562750547.db2.gz GWAJYOYPXYSDHT-IOWSJCHKSA-N 1 1 571.628 3.947 1 0 KHAFMO Cc1[nH+]c(N[C@H](C)c2ccc(-c3cnn(C)c3)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000084711327 562750689 /nfs/dbraw/zinc/75/06/89/562750689.db2.gz DRSLPPUGUQKXRK-UHCVAXJUSA-N 1 1 572.695 3.545 1 0 KHAFMO C[C@@]1(c2cc(F)c(Cl)c(F)c2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000084728493 562751447 /nfs/dbraw/zinc/75/14/47/562751447.db2.gz OPTPGWMNIOROHR-KYJUHHDHSA-N 1 1 607.061 3.995 1 0 KHAFMO CC[C@@]1(c2cc(F)cc(F)c2)C[NH2+]C2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000084728499 562751442 /nfs/dbraw/zinc/75/14/42/562751442.db2.gz YYIRLNHPNVBRKV-CDZUIXILSA-N 1 1 586.643 3.732 1 0 KHAFMO O=C(CN1CCCC1)Nc1cc2c3cc(NC(=O)C[NH+]4CCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084757348 562752368 /nfs/dbraw/zinc/75/23/68/562752368.db2.gz DCHMMCQUDMCURW-UHFFFAOYSA-N 1 1 551.655 3.761 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(=O)N(CC)C3=O)C2)CC1 ZINC000084758406 562752610 /nfs/dbraw/zinc/75/26/10/562752610.db2.gz VETXGICRGOKEMQ-MHZLTWQESA-N 1 1 525.675 3.508 1 0 KHAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(=O)N(CC)C3=O)C2)CC1 ZINC000084758407 562752599 /nfs/dbraw/zinc/75/25/99/562752599.db2.gz VETXGICRGOKEMQ-HHHXNRCGSA-N 1 1 525.675 3.508 1 0 KHAFMO CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758440 562752620 /nfs/dbraw/zinc/75/26/20/562752620.db2.gz CEQPJZOXNWNNFM-SANMLTNESA-N 1 1 513.664 3.850 1 0 KHAFMO CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758441 562752614 /nfs/dbraw/zinc/75/26/14/562752614.db2.gz CEQPJZOXNWNNFM-AREMUKBSSA-N 1 1 513.664 3.850 1 0 KHAFMO CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758442 562752592 /nfs/dbraw/zinc/75/25/92/562752592.db2.gz WKYFWSUNMBAEBC-SANMLTNESA-N 1 1 513.664 3.850 1 0 KHAFMO CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758443 562752588 /nfs/dbraw/zinc/75/25/88/562752588.db2.gz WKYFWSUNMBAEBC-AREMUKBSSA-N 1 1 513.664 3.850 1 0 KHAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532213 560073023 /nfs/dbraw/zinc/07/30/23/560073023.db2.gz JZSYRUNYYMEWHY-ZOTFKIJJSA-N 1 1 577.718 3.845 1 0 biogenic,in-vitro KHAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532276 560073054 /nfs/dbraw/zinc/07/30/54/560073054.db2.gz XSYVJTVKCOSADI-CJGHOLEISA-N 1 1 541.685 3.547 1 0 biogenic,in-vitro KHAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1CO ZINC000085532280 560072844 /nfs/dbraw/zinc/07/28/44/560072844.db2.gz DIAQZSBMWNRFPP-PUHGSMOYSA-N 1 1 555.712 3.937 1 0 biogenic,in-vitro KHAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532381 560072782 /nfs/dbraw/zinc/07/27/82/560072782.db2.gz HQIZSTVEIMXYTQ-BQVNSTKJSA-N 1 1 565.707 3.823 1 0 biogenic,in-vitro KHAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532388 560072735 /nfs/dbraw/zinc/07/27/35/560072735.db2.gz GWEDJLQCAXNCNT-PDAHRKOFSA-N 1 1 553.696 3.679 1 0 biogenic,in-vitro KHAFMO C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2OC1(C)C ZINC000085595283 560063910 /nfs/dbraw/zinc/06/39/10/560063910.db2.gz DHBLJYGWQGEAQZ-IXBMJNHSSA-N 1 1 509.555 3.545 1 0 biogenic,in-vitro KHAFMO C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2OC1(C)C ZINC000085595283 560063908 /nfs/dbraw/zinc/06/39/08/560063908.db2.gz DHBLJYGWQGEAQZ-IXBMJNHSSA-N 1 1 509.555 3.545 1 0 biogenic,in-vitro KHAFMO C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2OC1(C)C ZINC000085595286 560063898 /nfs/dbraw/zinc/06/38/98/560063898.db2.gz INKDHVKWXLICQI-IXBMJNHSSA-N 1 1 509.555 3.545 1 0 biogenic,in-vitro KHAFMO C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2OC1(C)C ZINC000085595286 560063896 /nfs/dbraw/zinc/06/38/96/560063896.db2.gz INKDHVKWXLICQI-IXBMJNHSSA-N 1 1 509.555 3.545 1 0 biogenic,in-vitro KHAFMO CC[NH2+][C@H](CCc1ccnc(N)c1)[C@H](CCO)Oc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@H]2CCO)cc(OC)c1O ZINC000085596597 565155970 /nfs/dbraw/zinc/15/59/70/565155970.db2.gz TUJVLTMEQUFNKW-XQICELDUSA-N 1 1 669.816 3.655 1 0 biogenic,in-vitro KHAFMO CC[NH2+][C@H](CCc1ccnc(N)c1)COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@H]2CCO)cc(OC)c1O ZINC000085596613 565155980 /nfs/dbraw/zinc/15/59/80/565155980.db2.gz HFNDMKBPXGWRKB-FRTXDDIRSA-N 1 1 625.763 3.904 1 0 biogenic,in-vitro KHAFMO CC[NH2+][C@H](CCc1ccnc(N)c1)COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O ZINC000085596618 560063343 /nfs/dbraw/zinc/06/33/43/560063343.db2.gz LAKVCKDIQVBGSZ-AQCTUAEDSA-N 1 1 597.709 3.616 1 0 biogenic,in-vitro KHAFMO CNC1=[NH+]CC[C@H](n2ccnc2)C[C@@H](CCCC(=O)C=C(O)CCc2ccc(O)c(OC3CCCC3)c2)N1 ZINC000085626966 560069045 /nfs/dbraw/zinc/06/90/45/560069045.db2.gz YYNNSJBHBLMFKQ-PKTZIBPZSA-O 1 1 524.686 3.529 1 0 biogenic,in-vitro KHAFMO COc1cc(CCC(=O)C=C(O)CCC[C@H](CCn2ccnc2)NC(=[NH2+])NC2CCCCC2)ccc1O ZINC000085627046 560068950 /nfs/dbraw/zinc/06/89/50/560068950.db2.gz PBVWBJYFIVGGJW-HSZRJFAPSA-O 1 1 512.675 3.553 1 0 biogenic,in-vitro KHAFMO CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(Cc2cc[nH+]c(N)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629472 291809739 /nfs/dbraw/zinc/80/97/39/291809739.db2.gz AVTIVSRDHRVBND-KSNOWIBYSA-N 1 1 516.635 3.954 1 0 biogenic,in-vitro KHAFMO CC[C@H](O)CC[C@@H](C[C@@H](CCc1cc(Cc2cc[nH+]c(N)c2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629506 560068460 /nfs/dbraw/zinc/06/84/60/560068460.db2.gz MAIPNZIASOFQAZ-VXNXHJTFSA-N 1 1 502.608 3.706 1 0 biogenic,in-vitro KHAFMO COc1cc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC[NH2+]C[C@H](C)O)c2)c2cccc(O)c2)ccc1O ZINC000085632308 565166623 /nfs/dbraw/zinc/16/66/23/565166623.db2.gz CYMGPPWHOJMYSY-GLONKAABSA-N 1 1 617.719 3.981 1 0 biogenic,in-vitro KHAFMO COc1cc(C[C@H](Cc2ccccc2)[C@H](O)CC(=O)CCc2ccc(O)c(OC[NH2+]C[C@H](C)O)c2)ccc1O ZINC000085632416 560067616 /nfs/dbraw/zinc/06/76/16/560067616.db2.gz WNMAQXXXFRJRGX-KNRJGFMHSA-N 1 1 537.653 3.767 1 0 biogenic,in-vitro KHAFMO COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[N@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000095535766 562753814 /nfs/dbraw/zinc/75/38/14/562753814.db2.gz SCPIROZFVJWUFE-LLSOSBHTSA-N 1 1 746.905 3.671 1 0 KHAFMO COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[N@@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000095535766 562753813 /nfs/dbraw/zinc/75/38/13/562753813.db2.gz SCPIROZFVJWUFE-LLSOSBHTSA-N 1 1 746.905 3.671 1 0 KHAFMO CC(C)[C@H](N)C(=O)O[C@H](C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000095539874 562755366 /nfs/dbraw/zinc/75/53/66/562755366.db2.gz SVMMFLCFDOEXLB-PGKJHWCZSA-N 1 1 769.988 3.627 1 0 KHAFMO CC(C)[C@H](N)C(=O)O[C@H](C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000095539874 562755365 /nfs/dbraw/zinc/75/53/65/562755365.db2.gz SVMMFLCFDOEXLB-PGKJHWCZSA-N 1 1 769.988 3.627 1 0 KHAFMO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCCC[NH+]1CCOCC1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000095541514 562756153 /nfs/dbraw/zinc/75/61/53/562756153.db2.gz VARSTCHDNYCSDG-NINLVYDZSA-N 1 1 782.017 3.535 1 0 KHAFMO CCCN1c2ccccc2C(N2CC[NH+](C)CC2)=N[C@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000095541852 562756400 /nfs/dbraw/zinc/75/64/00/562756400.db2.gz YSYRMZSNCGRMHZ-OAQYLSRUSA-N 1 1 502.541 3.604 1 0 KHAFMO CCCN1c2ccccc2C(N2CC[NH+](C)CC2)=N[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000095541853 562756402 /nfs/dbraw/zinc/75/64/02/562756402.db2.gz YSYRMZSNCGRMHZ-NRFANRHFSA-N 1 1 502.541 3.604 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)Nc2cc(=O)cc(C)[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095542231 562756563 /nfs/dbraw/zinc/75/65/63/562756563.db2.gz XWUJDXKNBCGWRW-NRLRFCMXSA-N 1 1 782.939 3.969 1 0 KHAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000095543060 562757064 /nfs/dbraw/zinc/75/70/64/562757064.db2.gz IKHVFEMXTMVXNG-XRWGFLTKSA-N 1 1 617.238 3.689 1 0 KHAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000095543062 562757040 /nfs/dbraw/zinc/75/70/40/562757040.db2.gz IKHVFEMXTMVXNG-AXODZLKTSA-N 1 1 617.238 3.689 1 0 KHAFMO CC[C@@]12C=CC[N@@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32 ZINC000095546544 562758549 /nfs/dbraw/zinc/75/85/49/562758549.db2.gz SLIRURSWQCRWFG-QIROGMKMSA-N 1 1 810.989 3.848 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095548319 562759247 /nfs/dbraw/zinc/75/92/47/562759247.db2.gz PRPIEBUSWYMLSB-KRXYOAFOSA-N 1 1 755.238 3.911 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095548319 562759246 /nfs/dbraw/zinc/75/92/46/562759246.db2.gz PRPIEBUSWYMLSB-KRXYOAFOSA-N 1 1 755.238 3.911 1 0 KHAFMO CS(=O)(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000095549034 562759707 /nfs/dbraw/zinc/75/97/07/562759707.db2.gz SLWDZHJMCIJUNX-UHFFFAOYSA-N 1 1 615.800 3.836 1 0 KHAFMO C[NH+]1CCN(CC(=O)N[C@@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c32)CC1 ZINC000095552427 562760631 /nfs/dbraw/zinc/76/06/31/562760631.db2.gz KLDMOOVVYDNXBQ-OAQYLSRUSA-N 1 1 502.229 3.860 1 0 KHAFMO C[NH+]1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c32)CC1 ZINC000095552428 562760618 /nfs/dbraw/zinc/76/06/18/562760618.db2.gz KLDMOOVVYDNXBQ-NRFANRHFSA-N 1 1 502.229 3.860 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553254 562760921 /nfs/dbraw/zinc/76/09/21/562760921.db2.gz OPVKJVDDNDEKSB-IBGZPJMESA-N 1 1 545.673 3.538 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553254 562760920 /nfs/dbraw/zinc/76/09/20/562760920.db2.gz OPVKJVDDNDEKSB-IBGZPJMESA-N 1 1 545.673 3.538 1 0 KHAFMO CCc1nc2ccccc2n1-c1nc2sc(C[NH+]3CCC(C(C)(C)O)CC3)nc2c(N2CCOCC2)n1 ZINC000095553791 562761013 /nfs/dbraw/zinc/76/10/13/562761013.db2.gz OUURPGAFNJVIFM-UHFFFAOYSA-N 1 1 521.691 3.807 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](C(=O)NC5CCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554049 562761148 /nfs/dbraw/zinc/76/11/48/562761148.db2.gz DABIENOBUSCARE-GOSISDBHSA-N 1 1 545.673 3.585 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](C(=O)NC5CCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554049 562761147 /nfs/dbraw/zinc/76/11/47/562761147.db2.gz DABIENOBUSCARE-GOSISDBHSA-N 1 1 545.673 3.585 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554395 562761206 /nfs/dbraw/zinc/76/12/06/562761206.db2.gz OPVKJVDDNDEKSB-LJQANCHMSA-N 1 1 545.673 3.538 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095554395 562761205 /nfs/dbraw/zinc/76/12/05/562761205.db2.gz OPVKJVDDNDEKSB-LJQANCHMSA-N 1 1 545.673 3.538 1 0 KHAFMO CCc1nc2ccccc2n1-c1nc2nc(C[NH+]3CCC(C(C)(C)O)CC3)sc2c(N2CCOCC2)n1 ZINC000095555102 562761444 /nfs/dbraw/zinc/76/14/44/562761444.db2.gz XVGNNJYNGSLHSX-UHFFFAOYSA-N 1 1 521.691 3.807 1 0 KHAFMO CCc1nc2ccccc2n1-c1nc2cc(C[N@H+]3CCN(C4COC4)CC3(C)C)sc2c(N2CCOCC2)n1 ZINC000095555694 562761619 /nfs/dbraw/zinc/76/16/19/562761619.db2.gz SHTICQDOCLQFOS-UHFFFAOYSA-N 1 1 547.729 3.724 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](C(=O)NC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556746 562761861 /nfs/dbraw/zinc/76/18/61/562761861.db2.gz MXHHONGZVDTFNW-LJQANCHMSA-N 1 1 559.700 3.975 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](C(=O)NC5CCCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556746 562761860 /nfs/dbraw/zinc/76/18/60/562761860.db2.gz MXHHONGZVDTFNW-LJQANCHMSA-N 1 1 559.700 3.975 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](C(=O)N5CCC(F)(F)C5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556864 562761961 /nfs/dbraw/zinc/76/19/61/562761961.db2.gz KAQWYRBKYUAJGJ-GOSISDBHSA-N 1 1 581.653 3.784 1 0 KHAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](C(=O)N5CCC(F)(F)C5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095556864 562761960 /nfs/dbraw/zinc/76/19/60/562761960.db2.gz KAQWYRBKYUAJGJ-GOSISDBHSA-N 1 1 581.653 3.784 1 0 KHAFMO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000095558010 562762298 /nfs/dbraw/zinc/76/22/98/562762298.db2.gz LNAQPEWQEFYFFM-FFCOJMSVSA-N 1 1 752.909 3.720 1 0 KHAFMO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000095558011 562762285 /nfs/dbraw/zinc/76/22/85/562762285.db2.gz LNAQPEWQEFYFFM-XMBNWINWSA-N 1 1 752.909 3.720 1 0 KHAFMO COC(=O)c1c(Cc2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000095558896 562762599 /nfs/dbraw/zinc/76/25/99/562762599.db2.gz STJJPAKEFZQZGB-UHFFFAOYSA-N 1 1 552.052 3.615 1 0 KHAFMO Cc1cc(CN2CCN(c3c4nc(-c5cccc(N6CC[NH+](C)CC6)c5)[nH]c4ncc3Cl)CC2)no1 ZINC000095560727 562763137 /nfs/dbraw/zinc/76/31/37/562763137.db2.gz ROFVRNNNZDBODT-UHFFFAOYSA-N 1 1 507.042 3.649 1 0 KHAFMO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CNCC[NH+]2CCCC2)nc2ccccc21 ZINC000095563094 562763872 /nfs/dbraw/zinc/76/38/72/562763872.db2.gz FXNDORCLKAQFDY-UHFFFAOYSA-N 1 1 510.086 3.938 1 0 KHAFMO Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(N6CC[NH+](C)CC6)c(F)c5)nc4ncc3Cl)CC2)no1 ZINC000095563373 562763959 /nfs/dbraw/zinc/76/39/59/562763959.db2.gz FLQVVGVSIXQQOB-UHFFFAOYSA-N 1 1 525.032 3.788 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566295 562764877 /nfs/dbraw/zinc/76/48/77/562764877.db2.gz GQBJBCNAEKUCKM-SWYRRKHMSA-N 1 1 502.615 3.686 1 0 KHAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566350 562764884 /nfs/dbraw/zinc/76/48/84/562764884.db2.gz ICLVAIRKVCJOPP-ZGPNTQEDSA-N 1 1 625.744 3.506 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095566447 562765001 /nfs/dbraw/zinc/76/50/01/562765001.db2.gz SREUWAAPQJIJAQ-SYZUXVNWSA-N 1 1 559.711 3.939 1 0 KHAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566631 562765130 /nfs/dbraw/zinc/76/51/30/562765130.db2.gz GYFFHKZTXAXEFC-INEJIFKHSA-N 1 1 609.745 3.806 1 0 KHAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566888 562765342 /nfs/dbraw/zinc/76/53/42/562765342.db2.gz KFOZXKFTLXFJIR-NOMHHCBYSA-N 1 1 532.641 3.695 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567077 562765499 /nfs/dbraw/zinc/76/54/99/562765499.db2.gz GQBJBCNAEKUCKM-WOVHNISZSA-N 1 1 502.615 3.686 1 0 KHAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567080 562765470 /nfs/dbraw/zinc/76/54/70/562765470.db2.gz KFOZXKFTLXFJIR-FYQCMVGJSA-N 1 1 532.641 3.695 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567082 562765495 /nfs/dbraw/zinc/76/54/95/562765495.db2.gz GQBJBCNAEKUCKM-ISJBWFOZSA-N 1 1 502.615 3.686 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567505 562765855 /nfs/dbraw/zinc/76/58/55/562765855.db2.gz GQBJBCNAEKUCKM-UZINWLIJSA-N 1 1 502.615 3.686 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095567727 562766023 /nfs/dbraw/zinc/76/60/23/562766023.db2.gz GTLJTKVBFXFVGL-BVXAZASISA-N 1 1 637.741 3.916 1 0 KHAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095567755 562766004 /nfs/dbraw/zinc/76/60/04/562766004.db2.gz KFOZXKFTLXFJIR-BUEREQSYSA-N 1 1 532.641 3.695 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095567999 562766226 /nfs/dbraw/zinc/76/62/26/562766226.db2.gz GTLJTKVBFXFVGL-WDCWYOMISA-N 1 1 637.741 3.916 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095568111 562766312 /nfs/dbraw/zinc/76/63/12/562766312.db2.gz GQBJBCNAEKUCKM-YZIHRLCOSA-N 1 1 502.615 3.686 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095568417 562766640 /nfs/dbraw/zinc/76/66/40/562766640.db2.gz GTLJTKVBFXFVGL-IKBQMQIHSA-N 1 1 637.741 3.916 1 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095569056 562767120 /nfs/dbraw/zinc/76/71/20/562767120.db2.gz GTLJTKVBFXFVGL-CEFNRUSXSA-N 1 1 637.741 3.916 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095569095 562767160 /nfs/dbraw/zinc/76/71/60/562767160.db2.gz UPEDAUWOASCVFT-YYULODDRSA-N 1 1 524.618 3.621 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O ZINC000095569110 562767170 /nfs/dbraw/zinc/76/71/70/562767170.db2.gz VHEBRLFBVVIGEB-OBWXTZQISA-N 1 1 558.528 3.646 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000095569114 562767185 /nfs/dbraw/zinc/76/71/85/562767185.db2.gz DFZXWWYSPBEGFY-DMPWYTOCSA-N 1 1 544.501 3.717 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000095569114 562767184 /nfs/dbraw/zinc/76/71/84/562767184.db2.gz DFZXWWYSPBEGFY-DMPWYTOCSA-N 1 1 544.501 3.717 1 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569530 562767521 /nfs/dbraw/zinc/76/75/21/562767521.db2.gz GQBJBCNAEKUCKM-YPCDYVTLSA-N 1 1 502.615 3.686 1 0 KHAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095569566 562767566 /nfs/dbraw/zinc/76/75/66/562767566.db2.gz GYFFHKZTXAXEFC-PKIAKLFDSA-N 1 1 609.745 3.806 1 0 KHAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569617 562767542 /nfs/dbraw/zinc/76/75/42/562767542.db2.gz KFOZXKFTLXFJIR-GNMOFYLKSA-N 1 1 532.641 3.695 1 0 KHAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccn3)cc2OC[C@@H](C)[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000095570094 562767904 /nfs/dbraw/zinc/76/79/04/562767904.db2.gz ZBJJNPNHABUELL-LGVUCKNBSA-N 1 1 517.630 3.735 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095570579 562768309 /nfs/dbraw/zinc/76/83/09/562768309.db2.gz SREUWAAPQJIJAQ-KERYWQKISA-N 1 1 559.711 3.939 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095570668 562768358 /nfs/dbraw/zinc/76/83/58/562768358.db2.gz GTLJTKVBFXFVGL-INEJIFKHSA-N 1 1 637.741 3.916 1 0 KHAFMO O=C(NC1CCN(S(=O)(=O)c2ccccc2O)CC1)N1CCC[N@@H+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000095573127 562769585 /nfs/dbraw/zinc/76/95/85/562769585.db2.gz PVEVSTBCEFCESD-UHFFFAOYSA-N 1 1 540.661 3.755 1 0 KHAFMO O=C(NC1CCN(S(=O)(=O)c2ccccc2O)CC1)N1CCC[N@H+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000095573127 562769584 /nfs/dbraw/zinc/76/95/84/562769584.db2.gz PVEVSTBCEFCESD-UHFFFAOYSA-N 1 1 540.661 3.755 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000095588043 562774478 /nfs/dbraw/zinc/77/44/78/562774478.db2.gz DGRRZIVVQMXLIJ-MGTGDHFRSA-N 1 1 763.980 3.825 1 0 KHAFMO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2nn[nH]c21 ZINC000095592105 562775875 /nfs/dbraw/zinc/77/58/75/562775875.db2.gz OEUDGDKDYOXFHU-SSEXGKCCSA-N 1 1 627.794 3.876 1 0 KHAFMO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2[nH]nnc21 ZINC000095592105 562775874 /nfs/dbraw/zinc/77/58/74/562775874.db2.gz OEUDGDKDYOXFHU-SSEXGKCCSA-N 1 1 627.794 3.876 1 0 KHAFMO CC[C@]12CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095598269 562777372 /nfs/dbraw/zinc/77/73/72/562777372.db2.gz UEXQGGOPJXHVLZ-ICJOCJBCSA-N 1 1 798.978 3.825 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095598968 562777695 /nfs/dbraw/zinc/77/76/95/562777695.db2.gz QGNVKOPRWJDOFN-LLJLJFOGSA-N 1 1 536.094 3.703 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095598968 562777694 /nfs/dbraw/zinc/77/76/94/562777694.db2.gz QGNVKOPRWJDOFN-LLJLJFOGSA-N 1 1 536.094 3.703 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095598972 562777704 /nfs/dbraw/zinc/77/77/04/562777704.db2.gz PALRSHXOGLADEF-YZZKKUAISA-N 1 1 522.568 3.715 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095598980 562777687 /nfs/dbraw/zinc/77/76/87/562777687.db2.gz QPEXUVZRKHXLPB-UZINWLIJSA-N 1 1 515.695 3.784 1 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095599693 562778278 /nfs/dbraw/zinc/77/82/78/562778278.db2.gz SREUWAAPQJIJAQ-IEOSBIPESA-N 1 1 559.711 3.939 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095599863 562778390 /nfs/dbraw/zinc/77/83/90/562778390.db2.gz BQSXXCPQQGYVBA-CUMRGQLISA-N 1 1 538.645 3.550 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@@H+](C)Cc2cccnc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095599953 562778501 /nfs/dbraw/zinc/77/85/01/562778501.db2.gz LQHUAUXKRFERQF-LOYIFYEOSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@@H+](C)Cc2ccncc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095599979 562778479 /nfs/dbraw/zinc/77/84/79/562778479.db2.gz IWJCENAAVLKEJR-BCQCSXDESA-N 1 1 509.672 3.958 1 0 KHAFMO COc1ccccc1-c1ccc2c(c1)O[C@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095599990 562778515 /nfs/dbraw/zinc/77/85/15/562778515.db2.gz YWADXHNDBHGHLS-HNMNOHOESA-N 1 1 568.692 3.992 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@@H+](C)Cc2ccncc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095600437 562778933 /nfs/dbraw/zinc/77/89/33/562778933.db2.gz IWJCENAAVLKEJR-LOYIFYEOSA-N 1 1 509.672 3.958 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000095600595 562779066 /nfs/dbraw/zinc/77/90/66/562779066.db2.gz NAVYBLYKXLXMDF-PBPSECFOSA-N 1 1 544.501 3.717 1 0 KHAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095601608 562779701 /nfs/dbraw/zinc/77/97/01/562779701.db2.gz HRWCTHWRGNXVOL-UTAZYMRLSA-N 1 1 525.694 3.713 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O ZINC000095601669 562779687 /nfs/dbraw/zinc/77/96/87/562779687.db2.gz SREUWAAPQJIJAQ-UETOGOEVSA-N 1 1 559.711 3.939 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@@H+](C)Cc2cccnc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095602030 562779896 /nfs/dbraw/zinc/77/98/96/562779896.db2.gz LQHUAUXKRFERQF-OREGWCPLSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C3=O)n(C)n1 ZINC000095603422 562780582 /nfs/dbraw/zinc/78/05/82/562780582.db2.gz HRWCTHWRGNXVOL-ZVOVDXHFSA-N 1 1 525.694 3.713 1 0 KHAFMO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)C[N@@H+]2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(F)cc1 ZINC000095604259 562780913 /nfs/dbraw/zinc/78/09/13/562780913.db2.gz CDCIDHFBGGTAFL-NEWJYFPISA-N 1 1 510.528 3.660 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(C(=O)NCCCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3O)CC2)CC1 ZINC000095606753 562782357 /nfs/dbraw/zinc/78/23/57/562782357.db2.gz TWXIDPPPWYWJJM-UHFFFAOYSA-N 1 1 765.736 3.855 1 0 KHAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=O)O[C@@]21C ZINC000095607330 562782747 /nfs/dbraw/zinc/78/27/47/562782747.db2.gz NVGYKJCWLWOFPF-UNNUABODSA-N 1 1 810.942 3.749 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3cccc(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095608161 562783417 /nfs/dbraw/zinc/78/34/17/562783417.db2.gz SWPBTKCAQDJKSO-KRXYOAFOSA-N 1 1 755.238 3.911 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3cccc(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095608161 562783416 /nfs/dbraw/zinc/78/34/16/562783416.db2.gz SWPBTKCAQDJKSO-KRXYOAFOSA-N 1 1 755.238 3.911 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609580 562783823 /nfs/dbraw/zinc/78/38/23/562783823.db2.gz VYEQZGYVUGRLAN-QDASRZTISA-N 1 1 766.936 3.894 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609581 562783880 /nfs/dbraw/zinc/78/38/80/562783880.db2.gz VYEQZGYVUGRLAN-XEPQRWPUSA-N 1 1 766.936 3.894 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609644 562783911 /nfs/dbraw/zinc/78/39/11/562783911.db2.gz WJXLHSWNRHARBG-LFYPYRRVSA-N 1 1 764.920 3.975 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)c(O)c2)C(C)(C)C)cc1 ZINC000095609645 562783893 /nfs/dbraw/zinc/78/38/93/562783893.db2.gz WJXLHSWNRHARBG-JWELTSOOSA-N 1 1 764.920 3.975 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)cc2O)C(C)(C)C)cc1 ZINC000095609669 562783916 /nfs/dbraw/zinc/78/39/16/562783916.db2.gz GYVAHDXFXFUDGG-WKIWTUQMSA-N 1 1 764.920 3.975 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)/C=C/c2ccc(OC)cc2O)C(C)(C)C)cc1 ZINC000095609670 562783908 /nfs/dbraw/zinc/78/39/08/562783908.db2.gz GYVAHDXFXFUDGG-FRPVWIBKSA-N 1 1 764.920 3.975 1 0 KHAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000095610625 562784537 /nfs/dbraw/zinc/78/45/37/562784537.db2.gz WSLWIPIDIKGXCF-PLXHNDKISA-N 1 1 773.935 3.951 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3ccc(F)c(F)c3F)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611232 562784899 /nfs/dbraw/zinc/78/48/99/562784899.db2.gz WUIIVYZPUDLMGE-OTTPZFKLSA-N 1 1 774.763 3.675 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3ccc(F)c(F)c3F)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611232 562784898 /nfs/dbraw/zinc/78/48/98/562784898.db2.gz WUIIVYZPUDLMGE-OTTPZFKLSA-N 1 1 774.763 3.675 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3ccccc3Cl)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611310 562784968 /nfs/dbraw/zinc/78/49/68/562784968.db2.gz PGBOPLATAWOMRE-NGKSUJSQSA-N 1 1 755.238 3.911 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3ccccc3Cl)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611310 562784967 /nfs/dbraw/zinc/78/49/67/562784967.db2.gz PGBOPLATAWOMRE-NGKSUJSQSA-N 1 1 755.238 3.911 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)NCC(=O)NCc2nc3ccccc3[nH]2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095611466 562785062 /nfs/dbraw/zinc/78/50/62/562785062.db2.gz FLBNHAAZXHSFDC-XNRUEXPGSA-N 1 1 763.896 3.502 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)NCCC(=O)NCc2nc3ccccc3[nH]2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095611491 562785070 /nfs/dbraw/zinc/78/50/70/562785070.db2.gz PKCAJNNVTUCGAR-PAHOERINSA-N 1 1 777.923 3.892 1 0 KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCn2nnc3ccccc32)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095611504 562785068 /nfs/dbraw/zinc/78/50/68/562785068.db2.gz UDXPPATURNTFPK-BMYMHALSSA-N 1 1 806.965 3.852 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1nccc2c(O)cccc12)C(C)(C)S(C)(=O)=O ZINC000095612046 562785186 /nfs/dbraw/zinc/78/51/86/562785186.db2.gz PIBLAKANIOZAPU-NBQDZPSUSA-N 1 1 764.002 3.675 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1nccc2c(O)cccc12)C(C)(C)S(C)(=O)=O ZINC000095612046 562785185 /nfs/dbraw/zinc/78/51/85/562785185.db2.gz PIBLAKANIOZAPU-NBQDZPSUSA-N 1 1 764.002 3.675 1 0 KHAFMO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc([C@@H]6[C@H]7Nc8ccccc8[C@H]7CC[NH+]7C[C@@H](CC[C@@]7(O)CC)[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@H]32 ZINC000095612328 562785418 /nfs/dbraw/zinc/78/54/18/562785418.db2.gz WHJYUNYXJXPHHC-AMJJGTEISA-N 1 1 770.968 3.736 1 0 KHAFMO O=C(N[C@H]1CCOC[C@H]1O)[C@H](Cc1nnc(-c2ccccc2)o1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095612513 562785555 /nfs/dbraw/zinc/78/55/55/562785555.db2.gz QRGSOTVIQOYHBA-KPMWDHBHSA-N 1 1 775.225 3.691 1 0 KHAFMO O=C(N[C@H]1CCOC[C@H]1O)[C@H](Cc1nnc(-c2ccccc2)o1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095612513 562785554 /nfs/dbraw/zinc/78/55/54/562785554.db2.gz QRGSOTVIQOYHBA-KPMWDHBHSA-N 1 1 775.225 3.691 1 0 KHAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]21C ZINC000095613087 562786044 /nfs/dbraw/zinc/78/60/44/562786044.db2.gz MGFAIYBODCGFPJ-UNNUABODSA-N 1 1 827.010 3.914 1 0 KHAFMO CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000095613682 562786431 /nfs/dbraw/zinc/78/64/31/562786431.db2.gz UDZXLEWPFSJPFY-HHHXNRCGSA-N 1 1 553.147 3.983 1 0 KHAFMO C[C@@](O)(Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095613805 562786505 /nfs/dbraw/zinc/78/65/05/562786505.db2.gz DWGPMLPUQXUFJP-PMERELPUSA-N 1 1 507.642 3.775 1 0 KHAFMO CCC[N@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@H]1C ZINC000095680194 562788358 /nfs/dbraw/zinc/78/83/58/562788358.db2.gz WGQZSYQQZLCSDJ-LJKQEARRSA-N 1 1 511.619 3.884 1 0 KHAFMO COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@H+](Cc1cc(F)ccc1F)[C@H](C)CO2 ZINC000095692692 562788537 /nfs/dbraw/zinc/78/85/37/562788537.db2.gz ZVOSTPFCAQQCID-GAKIBJFNSA-N 1 1 519.589 3.556 1 0 KHAFMO COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@@H+](Cc1cc(F)ccc1F)[C@H](C)CO2 ZINC000095692692 562788536 /nfs/dbraw/zinc/78/85/36/562788536.db2.gz ZVOSTPFCAQQCID-GAKIBJFNSA-N 1 1 519.589 3.556 1 0 KHAFMO COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@H+](Cc1cc(F)ccc1F)[C@@H](C)CO2 ZINC000095692697 562788534 /nfs/dbraw/zinc/78/85/34/562788534.db2.gz ZVOSTPFCAQQCID-UZEJHQAJSA-N 1 1 519.589 3.556 1 0 KHAFMO COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@@H+](Cc1cc(F)ccc1F)[C@@H](C)CO2 ZINC000095692697 562788533 /nfs/dbraw/zinc/78/85/33/562788533.db2.gz ZVOSTPFCAQQCID-UZEJHQAJSA-N 1 1 519.589 3.556 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2cncnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095709195 562788671 /nfs/dbraw/zinc/78/86/71/562788671.db2.gz UAWGSLKNHZLEPQ-ONKXDHSQSA-N 1 1 522.671 3.548 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cncnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095709195 562788670 /nfs/dbraw/zinc/78/86/70/562788670.db2.gz UAWGSLKNHZLEPQ-ONKXDHSQSA-N 1 1 522.671 3.548 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@@H+](C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095710579 562788673 /nfs/dbraw/zinc/78/86/73/562788673.db2.gz IWJCENAAVLKEJR-VHSZZVNMSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@@H+](C)Cc2ccncc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095710582 562788661 /nfs/dbraw/zinc/78/86/61/562788661.db2.gz IWJCENAAVLKEJR-OREGWCPLSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@@H+](C)Cc2cccnc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095710716 562788664 /nfs/dbraw/zinc/78/86/64/562788664.db2.gz LQHUAUXKRFERQF-BERHBOFZSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@@H+](C)Cc2ccccn2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095714223 562788686 /nfs/dbraw/zinc/78/86/86/562788686.db2.gz BOJXGEWATWCQGM-BCQCSXDESA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@@H](C[N@@H+](C)Cc2ccccn2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095714225 562788657 /nfs/dbraw/zinc/78/86/57/562788657.db2.gz BOJXGEWATWCQGM-LOYIFYEOSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccc(-c2ccc3c(c2)O[C@H](C[N@@H+](C)Cc2ccccn2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000095714230 562788644 /nfs/dbraw/zinc/78/86/44/562788644.db2.gz BOJXGEWATWCQGM-OREGWCPLSA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccccc1-c1ccc2c(c1)O[C@H](C[N@@H+](C)Cc1ccncc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726041 562788694 /nfs/dbraw/zinc/78/86/94/562788694.db2.gz AJGCYTTWOKYRBW-BCQCSXDESA-N 1 1 509.672 3.958 1 0 KHAFMO Cc1ccccc1-c1ccc2c(c1)O[C@@H](C[N@@H+](C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726042 562788698 /nfs/dbraw/zinc/78/86/98/562788698.db2.gz AJGCYTTWOKYRBW-LOYIFYEOSA-N 1 1 509.672 3.958 1 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2S1(=O)=O ZINC000095732534 562788703 /nfs/dbraw/zinc/78/87/03/562788703.db2.gz MYWSUSXCAZFZDP-WOGZVKCMSA-N 1 1 609.745 3.685 1 0 KHAFMO COc1ccccc1-c1ccc2c(c1)O[C@@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095732574 562788761 /nfs/dbraw/zinc/78/87/61/562788761.db2.gz YWADXHNDBHGHLS-WURXVLGASA-N 1 1 568.692 3.992 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccnc2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000095734491 562788775 /nfs/dbraw/zinc/78/87/75/562788775.db2.gz JEPVQKOMBMDDOB-CUVVAGTFSA-N 1 1 513.635 3.788 1 0 KHAFMO COc1ccc2c(c1)[nH]c1c2C2(C[NH+](Cc3ccccc3)C2)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1CO ZINC000095796755 562789157 /nfs/dbraw/zinc/78/91/57/562789157.db2.gz JTFSEXKUFLVCKF-SANMLTNESA-N 1 1 517.651 3.976 1 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095832634 562789339 /nfs/dbraw/zinc/78/93/39/562789339.db2.gz ANSWJBIHJRHQOI-ANSQWYIGSA-N 1 1 550.121 3.632 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095847153 562789511 /nfs/dbraw/zinc/78/95/11/562789511.db2.gz UPEDAUWOASCVFT-DPOKWSEZSA-N 1 1 524.618 3.621 1 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095853447 562789565 /nfs/dbraw/zinc/78/95/65/562789565.db2.gz BQSXXCPQQGYVBA-VXLXPWSCSA-N 1 1 538.645 3.550 1 0 KHAFMO COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)C[N@@H+](CC2CCOCC2)[C@H]1CO ZINC000095865806 562789756 /nfs/dbraw/zinc/78/97/56/562789756.db2.gz ABQVMDPQDGPFAQ-DEOSSOPVSA-N 1 1 510.704 3.953 1 0 KHAFMO Cc1cccc(C[N@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095872128 562789952 /nfs/dbraw/zinc/78/99/52/562789952.db2.gz FJEIJTJDFLPVHQ-BCQCSXDESA-N 1 1 516.642 3.994 1 0 KHAFMO Cc1ccc(C[N@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095872129 562790056 /nfs/dbraw/zinc/79/00/56/562790056.db2.gz DGDJROQLWLBOSE-BCQCSXDESA-N 1 1 516.642 3.994 1 0 KHAFMO COc1ccccc1C[N@@H+](C)C[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872134 562790000 /nfs/dbraw/zinc/79/00/00/562790000.db2.gz HGVBLVYQCJJUFY-NOMHHCBYSA-N 1 1 532.641 3.695 1 0 KHAFMO COc1cccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)c4ccncc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095872135 562790045 /nfs/dbraw/zinc/79/00/45/562790045.db2.gz QVKPHTUDZUXENO-NOMHHCBYSA-N 1 1 532.641 3.695 1 0 KHAFMO Cc1ccccc1C[N@H+](C)C[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095872136 562790072 /nfs/dbraw/zinc/79/00/72/562790072.db2.gz ZHTFQYLZBGGPST-BCQCSXDESA-N 1 1 516.642 3.994 1 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(F)c(F)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872139 562790034 /nfs/dbraw/zinc/79/00/34/562790034.db2.gz WQFXHCSMLAKBQJ-LZJCXSABSA-N 1 1 538.595 3.964 1 0 KHAFMO COc1cc(C(=O)OCCCN2CC[N@@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)(C)C2)cc(OC)c1OC ZINC000095873065 562790104 /nfs/dbraw/zinc/79/01/04/562790104.db2.gz LQGBVWMDQMRYQW-UHFFFAOYSA-N 1 1 618.724 3.928 1 0 KHAFMO COc1cc(C(=O)OCCCN2CC[N@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)(C)C2)cc(OC)c1OC ZINC000095873065 562790103 /nfs/dbraw/zinc/79/01/03/562790103.db2.gz LQGBVWMDQMRYQW-UHFFFAOYSA-N 1 1 618.724 3.928 1 0 KHAFMO COc1cc(C(=O)OCCCN2CC[N@@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2(C)C)cc(OC)c1OC ZINC000095873065 562790102 /nfs/dbraw/zinc/79/01/02/562790102.db2.gz LQGBVWMDQMRYQW-UHFFFAOYSA-N 1 1 618.724 3.928 1 0 KHAFMO C[NH+]1CCN(C(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(C(F)(F)F)cc5)ccc4O[C@@H]3[C@@H](CO)O2)CC1 ZINC000095901033 562790297 /nfs/dbraw/zinc/79/02/97/562790297.db2.gz CWTFRDOIHJRUHI-YTAKYCMFSA-N 1 1 548.562 3.508 1 0 KHAFMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccccc7)[C@@H]5C(=C[C@H](O[C@@H]13)[C@@H]42)C[C@@H]6OC ZINC000095911530 560058055 /nfs/dbraw/zinc/05/80/55/560058055.db2.gz PRSZAYFQYPQWDR-FINCBECVSA-N 1 1 523.670 3.928 1 0 biogenic,in-vitro KHAFMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34C2=C[C@@H](O[C@@H]13)[C@H]1C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 ZINC000095911531 560058029 /nfs/dbraw/zinc/05/80/29/560058029.db2.gz LBMXBLVNGWHBDT-JLWHCEFHSA-N 1 1 523.670 3.928 1 0 biogenic,in-vitro KHAFMO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34C2=C[C@@H](O[C@@H]13)[C@H]1C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 ZINC000095911531 560058028 /nfs/dbraw/zinc/05/80/28/560058028.db2.gz LBMXBLVNGWHBDT-JLWHCEFHSA-N 1 1 523.670 3.928 1 0 biogenic,in-vitro KHAFMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)/C=C/c7ccccc7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000095912817 560056939 /nfs/dbraw/zinc/05/69/39/560056939.db2.gz WLZGQXZRYWLRFN-PFZZMRPGSA-N 1 1 551.724 3.796 1 0 biogenic,in-vitro KHAFMO COc1ccc(C(=O)O[C@H]2[C@]34CC[C@@H](C[C@H]3[C@@]35CCC[C@@]6(C)C[N@@H+](C)[C@@H]3[C@@H]4C[C@@H]56)[C@@]2(O)CO)cc1OC ZINC000095919346 560054517 /nfs/dbraw/zinc/05/45/17/560054517.db2.gz IFIRAFGDQZPYNA-WNZNZWQSSA-N 1 1 511.659 3.509 1 0 biogenic,in-vitro KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3cccnc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142897 562790409 /nfs/dbraw/zinc/79/04/09/562790409.db2.gz MAMJAUDDHCPYJQ-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3cccnc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142897 562790408 /nfs/dbraw/zinc/79/04/08/562790408.db2.gz MAMJAUDDHCPYJQ-WZXFIOQESA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccccn3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142898 562790437 /nfs/dbraw/zinc/79/04/37/562790437.db2.gz VJEYRJGOROCIKW-NKDCNHMZSA-N 1 1 721.777 3.727 1 0 KHAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccccn3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000096142898 562790436 /nfs/dbraw/zinc/79/04/36/562790436.db2.gz VJEYRJGOROCIKW-NKDCNHMZSA-N 1 1 721.777 3.727 1 0 KHAFMO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)N4CC[NH2+]CC4)c3)nc12 ZINC000096167782 562790567 /nfs/dbraw/zinc/79/05/67/562790567.db2.gz RAQZOOPSAMUJJC-UHFFFAOYSA-N 1 1 511.007 3.697 1 0 KHAFMO COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@H+](CCS(C)(=O)=O)CC4)nn21 ZINC000096169743 562790809 /nfs/dbraw/zinc/79/08/09/562790809.db2.gz IDSZJSILNXIQJX-UHFFFAOYSA-N 1 1 505.644 3.732 1 0 KHAFMO COCc1ccccc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@@H+](CCS(C)(=O)=O)CC4)nn21 ZINC000096169743 562790808 /nfs/dbraw/zinc/79/08/08/562790808.db2.gz IDSZJSILNXIQJX-UHFFFAOYSA-N 1 1 505.644 3.732 1 0 KHAFMO CCOc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169754 562790802 /nfs/dbraw/zinc/79/08/02/562790802.db2.gz PCQXROQPGBLXFI-UHFFFAOYSA-N 1 1 505.644 3.984 1 0 KHAFMO CCOc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169754 562790801 /nfs/dbraw/zinc/79/08/01/562790801.db2.gz PCQXROQPGBLXFI-UHFFFAOYSA-N 1 1 505.644 3.984 1 0 KHAFMO CS(=O)(=O)CC[N@H+]1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169756 562790823 /nfs/dbraw/zinc/79/08/23/562790823.db2.gz OQEVXARZFLVRPJ-UHFFFAOYSA-N 1 1 541.580 3.907 1 0 KHAFMO CS(=O)(=O)CC[N@@H+]1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169756 562790822 /nfs/dbraw/zinc/79/08/22/562790822.db2.gz OQEVXARZFLVRPJ-UHFFFAOYSA-N 1 1 541.580 3.907 1 0 KHAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169757 562790841 /nfs/dbraw/zinc/79/08/41/562790841.db2.gz RJDZTGXGZLTKBO-UHFFFAOYSA-N 1 1 520.540 3.950 1 0 KHAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(S(C)(=O)=O)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169873 562790896 /nfs/dbraw/zinc/79/08/96/562790896.db2.gz OAXBDXIWFBGMPC-UHFFFAOYSA-N 1 1 598.676 3.676 1 0 KHAFMO CC[NH+]1CCP(=O)(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cc2)CC1 ZINC000096169911 562790952 /nfs/dbraw/zinc/79/09/52/562790952.db2.gz BFEMVAYKIVOLEV-UHFFFAOYSA-N 1 1 509.572 3.867 1 0 KHAFMO Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]n2)cc(N2CC[NH+](CCO)CC2)n1 ZINC000096270644 562793278 /nfs/dbraw/zinc/79/32/78/562793278.db2.gz PJQVRCVOTATLHM-UHFFFAOYSA-N 1 1 574.690 3.640 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000096305588 562796328 /nfs/dbraw/zinc/79/63/28/562796328.db2.gz KSHVXDGRNDIMQZ-LJNRZNKNSA-N 1 1 640.730 3.863 1 0 KHAFMO Cc1cccc(C[C@H](NC(=O)N2CC[NH+](C)CC2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)c1 ZINC000096319031 562796632 /nfs/dbraw/zinc/79/66/32/562796632.db2.gz AHBGUZZUDICMCJ-MPPNSLKJSA-N 1 1 588.774 3.968 1 0 KHAFMO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])Cc1ccccc1)OC2 ZINC000096902658 562797522 /nfs/dbraw/zinc/79/75/22/562797522.db2.gz AEBLCNKDRLHTKP-DTHFFQEPSA-N 1 1 662.430 3.714 1 0 KHAFMO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])Cc1ccccc1)OC2 ZINC000096902659 562797535 /nfs/dbraw/zinc/79/75/35/562797535.db2.gz AEBLCNKDRLHTKP-BNIATNSFSA-N 1 1 662.430 3.714 1 0 KHAFMO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])CC(C)C)OC2 ZINC000096902660 562797506 /nfs/dbraw/zinc/79/75/06/562797506.db2.gz ANEMIQSSWSSPTO-RAOKLWECSA-N 1 1 628.413 3.517 1 0 KHAFMO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])CC(C)C)OC2 ZINC000096902661 562797555 /nfs/dbraw/zinc/79/75/55/562797555.db2.gz ANEMIQSSWSSPTO-TYSLARBNSA-N 1 1 628.413 3.517 1 0 KHAFMO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])CC(C)C)OC2 ZINC000096902664 562797545 /nfs/dbraw/zinc/79/75/45/562797545.db2.gz ANEMIQSSWSSPTO-NVNIBCLHSA-N 1 1 628.413 3.517 1 0 KHAFMO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])CC(C)C)OC2 ZINC000096902665 562797508 /nfs/dbraw/zinc/79/75/08/562797508.db2.gz ANEMIQSSWSSPTO-KRNMQHLDSA-N 1 1 628.413 3.517 1 0 KHAFMO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])Cc1ccccc1)OC2 ZINC000096902807 562797685 /nfs/dbraw/zinc/79/76/85/562797685.db2.gz AEBLCNKDRLHTKP-KNFVZOGOSA-N 1 1 662.430 3.714 1 0 KHAFMO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])Cc1ccccc1)OC2 ZINC000096902808 562797688 /nfs/dbraw/zinc/79/76/88/562797688.db2.gz AEBLCNKDRLHTKP-AZPLKHBRSA-N 1 1 662.430 3.714 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@@H](C)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1nc2ccccc2[nH]1 ZINC000096905852 562798626 /nfs/dbraw/zinc/79/86/26/562798626.db2.gz NWCLUPOGVWVFRT-OLILMLBXSA-N 1 1 539.680 3.923 1 0 KHAFMO COCCCn1c2c3cc(Cl)ccc3oc2c(-c2ccc(N3CC[NH+](CCOC)CC3)nc2)nc1=O ZINC000096906338 562798761 /nfs/dbraw/zinc/79/87/61/562798761.db2.gz WUKMMYKRSLNVDY-UHFFFAOYSA-N 1 1 512.010 3.663 1 0 KHAFMO O=C(CCc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000096913979 562800693 /nfs/dbraw/zinc/80/06/93/562800693.db2.gz YVCWQBDLRHZINM-PSTIANMPSA-N 1 1 525.649 3.622 1 0 KHAFMO COc1c2ccccc2c(Cl)nc1C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000096913981 562800724 /nfs/dbraw/zinc/80/07/24/562800724.db2.gz POSDXXHDYYVBFA-OZKNTWEWSA-N 1 1 562.066 3.965 1 0 KHAFMO O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1nc(Cl)c2ccccc2c1O ZINC000096913982 562800691 /nfs/dbraw/zinc/80/06/91/562800691.db2.gz XUFUXQCDCPXCAO-GBZKITJQSA-N 1 1 548.039 3.662 1 0 KHAFMO O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1nc(Cl)c2ccccc2c1O ZINC000096913982 562800690 /nfs/dbraw/zinc/80/06/90/562800690.db2.gz XUFUXQCDCPXCAO-GBZKITJQSA-N 1 1 548.039 3.662 1 0 KHAFMO O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1cc2ccccc2c(Cl)n1 ZINC000096913984 562800711 /nfs/dbraw/zinc/80/07/11/562800711.db2.gz AVWCTYGZQSFPNB-XKXSCJQESA-N 1 1 532.040 3.957 1 0 KHAFMO Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)cc2ccccc12 ZINC000096913985 562800705 /nfs/dbraw/zinc/80/07/05/562800705.db2.gz PMAXWGAUDDWHOX-UMRDZTPJSA-N 1 1 511.622 3.612 1 0 KHAFMO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCc1cn(CCNc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000096914876 562800884 /nfs/dbraw/zinc/80/08/84/562800884.db2.gz VFPBZIXQNVBJSX-WUFINQPMSA-N 1 1 570.053 3.740 1 0 KHAFMO CCCOc1ccc(S(=O)(=O)NCC[NH+](CC)CC)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1 ZINC000096916029 562801175 /nfs/dbraw/zinc/80/11/75/562801175.db2.gz YKIMYROBNZZIQH-UHFFFAOYSA-N 1 1 529.501 3.732 1 0 KHAFMO O=C(Nc1ccccc1)[C@H]1N(CC(F)(F)F)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](CC2CC2)CC[C@]513 ZINC000096924006 562802227 /nfs/dbraw/zinc/80/22/27/562802227.db2.gz MORFGBFRFJHTAM-QAJOSVNBSA-N 1 1 555.597 3.580 1 0 KHAFMO O=C(Nc1ccccc1)[C@@H]1N(CC(F)(F)F)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](CC2CC2)CC[C@]513 ZINC000096927053 562802473 /nfs/dbraw/zinc/80/24/73/562802473.db2.gz MORFGBFRFJHTAM-NVHKLCLPSA-N 1 1 555.597 3.580 1 0 KHAFMO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939134 562804712 /nfs/dbraw/zinc/80/47/12/562804712.db2.gz QNIVLSKBJLLBHF-INIZCTEOSA-N 1 1 578.654 3.845 1 0 KHAFMO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+]1CCOCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939135 562804689 /nfs/dbraw/zinc/80/46/89/562804689.db2.gz QNIVLSKBJLLBHF-MRXNPFEDSA-N 1 1 578.654 3.845 1 0 KHAFMO Cn1cnnc1SC[C@]1(O)C=C(CC(F)(F)F)C(=O)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939824 562804818 /nfs/dbraw/zinc/80/48/18/562804818.db2.gz QWTZAVHQMLCTMW-HXUWFJFHSA-N 1 1 512.945 3.631 1 0 KHAFMO Cn1cnnc1SC[C@@]1(O)C=C(CC(F)(F)F)C(=O)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939825 562804820 /nfs/dbraw/zinc/80/48/20/562804820.db2.gz QWTZAVHQMLCTMW-FQEVSTJZSA-N 1 1 512.945 3.631 1 0 KHAFMO C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccnc(Nc4cc[nH+]cc4)n3)c(-c3ccc(F)cc3)[nH]2)OC1 ZINC000100051794 562806397 /nfs/dbraw/zinc/80/63/97/562806397.db2.gz AZNVDGVIYYAARP-FCMXBYMOSA-N 1 1 545.575 3.722 1 0 KHAFMO CCNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CC[NH+](C)C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000101372813 562810426 /nfs/dbraw/zinc/81/04/26/562810426.db2.gz IMPLASSOUGGFTO-RQZHXJHFSA-N 1 1 547.681 3.696 1 0 in-vivo KHAFMO CCNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000101372845 562810441 /nfs/dbraw/zinc/81/04/41/562810441.db2.gz YXUCEYHUMMDUOT-FLWNBWAVSA-N 1 1 552.679 3.579 1 0 KHAFMO CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000101372848 562810443 /nfs/dbraw/zinc/81/04/43/562810443.db2.gz DQTFBLOOODCMCC-KTMFPKCZSA-N 1 1 566.706 3.921 1 0 KHAFMO CCO[C@H]1C[N@H+]([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000101378281 562810491 /nfs/dbraw/zinc/81/04/91/562810491.db2.gz JQPQRYDIQFLFAA-MGDCHWCSSA-N 1 1 547.618 3.780 1 0 KHAFMO Cc1cccc(C)c1[C@@]1(O)CC[C@H]([NH+]2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000101441479 562810717 /nfs/dbraw/zinc/81/07/17/562810717.db2.gz TZKCRWKVXTVJNJ-HNACLESGSA-N 1 1 503.565 3.683 1 0 KHAFMO Cc1ccc([C@@]2(O)CC[C@@H]([N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000101469099 562810877 /nfs/dbraw/zinc/81/08/77/562810877.db2.gz YKSPNNYIWLFVCY-JQYIIUTOSA-N 1 1 503.565 3.765 1 0 KHAFMO Cc1ccc([C@@]2(O)CC[C@@H]([N@H+]3CC[C@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000101469151 562810849 /nfs/dbraw/zinc/81/08/49/562810849.db2.gz YKSPNNYIWLFVCY-FXSPECFOSA-N 1 1 503.565 3.765 1 0 KHAFMO CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 ZINC000101470177 562810882 /nfs/dbraw/zinc/81/08/82/562810882.db2.gz SWQWEWYADDAXRZ-HUAWEXLISA-O 1 1 589.716 3.630 1 0 KHAFMO CN(Cc1ccccc1)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1C=[N+](C)c2ccccc21 ZINC000101470180 562810843 /nfs/dbraw/zinc/81/08/43/562810843.db2.gz SWQWEWYADDAXRZ-FALBEQFMSA-O 1 1 589.716 3.630 1 0 KHAFMO CC(C)(C)Oc1ccc([C@@]2(O)CC[C@@H]([NH+]3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000101588119 562811366 /nfs/dbraw/zinc/81/13/66/562811366.db2.gz KODLQRCYGZOTLD-MGFGWZDJSA-N 1 1 548.606 3.638 1 0 KHAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1C ZINC000101641484 562811450 /nfs/dbraw/zinc/81/14/50/562811450.db2.gz ABECTNWXRXHWDP-KIHHCIJBSA-N 1 1 534.122 3.905 1 0 KHAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000101850512 562812286 /nfs/dbraw/zinc/81/22/86/562812286.db2.gz CNEURECLCXUMNB-KOUNCHBCSA-N 1 1 512.610 3.604 1 0 KHAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCN2CCN(S(C)(=O)=O)CC2)c1=O ZINC000102165409 562812805 /nfs/dbraw/zinc/81/28/05/562812805.db2.gz XJYKGQSAARGRMU-OUOZDZGXSA-N 1 1 599.842 3.835 1 0 KHAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1C ZINC000102827127 562813376 /nfs/dbraw/zinc/81/33/76/562813376.db2.gz ABECTNWXRXHWDP-XQUALCHDSA-N 1 1 534.122 3.905 1 0 KHAFMO Cc1cc(S(=O)(=O)NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl ZINC000103226212 562817754 /nfs/dbraw/zinc/81/77/54/562817754.db2.gz YWLQTOODWWWXLX-UHFFFAOYSA-N 1 1 617.558 3.973 1 0 KHAFMO CC[C@@H]1C[N@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)c5=O)[C@H]1C[C@H]24 ZINC000103227592 562817930 /nfs/dbraw/zinc/81/79/30/562817930.db2.gz PLDRDQAIUNYBAZ-PQOKEZARSA-N 1 1 541.648 3.994 1 0 KHAFMO Cc1cc(S(=O)(=O)NC(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl ZINC000103230268 562818111 /nfs/dbraw/zinc/81/81/11/562818111.db2.gz HUBIZXSTLYFAFJ-UHFFFAOYSA-N 1 1 539.104 3.591 1 0 KHAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3cccc(Cl)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237334 562819004 /nfs/dbraw/zinc/81/90/04/562819004.db2.gz KRPZNCLVDXCELP-AREMUKBSSA-N 1 1 576.073 3.948 1 0 KHAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3cccc(Cl)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237336 562818963 /nfs/dbraw/zinc/81/89/63/562818963.db2.gz KRPZNCLVDXCELP-SANMLTNESA-N 1 1 576.073 3.948 1 0 KHAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237337 562818995 /nfs/dbraw/zinc/81/89/95/562818995.db2.gz ODYNKVIVZOJDFI-AREMUKBSSA-N 1 1 576.073 3.948 1 0 KHAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccc(Cl)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237339 562818948 /nfs/dbraw/zinc/81/89/48/562818948.db2.gz ODYNKVIVZOJDFI-SANMLTNESA-N 1 1 576.073 3.948 1 0 KHAFMO Cc1ccccc1-c1nnc(SCCC[NH+]2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000103237354 562818986 /nfs/dbraw/zinc/81/89/86/562818986.db2.gz SDMYXCMXEYFTEE-HHHXNRCGSA-N 1 1 555.655 3.603 1 0 KHAFMO Cc1ccccc1-c1nnc(SCCC[NH+]2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)o1 ZINC000103237357 562818945 /nfs/dbraw/zinc/81/89/45/562818945.db2.gz SDMYXCMXEYFTEE-MHZLTWQESA-N 1 1 555.655 3.603 1 0 KHAFMO Cc1cccc(-c2nnc(SCCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000103237360 562818957 /nfs/dbraw/zinc/81/89/57/562818957.db2.gz LVDPELNBNJUQIR-HHHXNRCGSA-N 1 1 555.655 3.603 1 0 KHAFMO Cc1cccc(-c2nnc(SCCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)c1 ZINC000103237362 562818966 /nfs/dbraw/zinc/81/89/66/562818966.db2.gz LVDPELNBNJUQIR-MHZLTWQESA-N 1 1 555.655 3.603 1 0 KHAFMO Cc1ccc(-c2nnc(SCCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000103237365 562818942 /nfs/dbraw/zinc/81/89/42/562818942.db2.gz KPIJEBDUCJIFEJ-HHHXNRCGSA-N 1 1 555.655 3.603 1 0 KHAFMO Cc1ccc(-c2nnc(SCCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)o2)cc1 ZINC000103237368 562818954 /nfs/dbraw/zinc/81/89/54/562818954.db2.gz KPIJEBDUCJIFEJ-MHZLTWQESA-N 1 1 555.655 3.603 1 0 KHAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccccc3Cl)o2)CC1)c1ccc(F)cc1F ZINC000103237430 562819031 /nfs/dbraw/zinc/81/90/31/562819031.db2.gz IVBFHTTWYCPCDV-AREMUKBSSA-N 1 1 576.073 3.948 1 0 KHAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccccc3Cl)o2)CC1)c1ccc(F)cc1F ZINC000103237434 562819076 /nfs/dbraw/zinc/81/90/76/562819076.db2.gz IVBFHTTWYCPCDV-SANMLTNESA-N 1 1 576.073 3.948 1 0 KHAFMO CC[C@H]1CN(c2nc(N)c(-c3nnco3)nc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000103266161 562822243 /nfs/dbraw/zinc/82/22/43/562822243.db2.gz PGVPAJGJNWPYEO-SFHVURJKSA-N 1 1 517.465 3.981 1 0 KHAFMO CC[C@H]1CN(c2nc(N)c(-c3nnco3)nc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000103266161 562822242 /nfs/dbraw/zinc/82/22/42/562822242.db2.gz PGVPAJGJNWPYEO-SFHVURJKSA-N 1 1 517.465 3.981 1 0 KHAFMO CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CC[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266168 562822187 /nfs/dbraw/zinc/82/21/87/562822187.db2.gz OYJDZOOZHGNEHH-SFHVURJKSA-N 1 1 545.475 3.929 1 0 KHAFMO CCNc1nnc(-c2cnc(N3CC[N@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1 ZINC000103266206 562822220 /nfs/dbraw/zinc/82/22/20/562822220.db2.gz LBPUQNFLUJTXNI-HNNXBMFYSA-N 1 1 609.057 3.813 1 0 KHAFMO CCNc1nnc(-c2cnc(N3CC[N@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C3CC3)n2)o1 ZINC000103266214 562822285 /nfs/dbraw/zinc/82/22/85/562822285.db2.gz FNWLOJIPAPLASC-SFHVURJKSA-N 1 1 581.125 3.672 1 0 KHAFMO CCNc1nnc(-c2cnc(N3CC[N@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(C)C)n2)o1 ZINC000103266217 562822291 /nfs/dbraw/zinc/82/22/91/562822291.db2.gz PLTNLBRLQFIGTL-SFHVURJKSA-N 1 1 583.141 3.918 1 0 KHAFMO CC[C@H]1CN(c2ncc(-c3nnc(N)o3)nc2C)[C@H](C)C[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266245 562822282 /nfs/dbraw/zinc/82/22/82/562822282.db2.gz PATAHDLWOUIKMS-UZLBHIALSA-N 1 1 525.057 3.665 1 0 KHAFMO CC[C@H]1CN(c2ncc(-c3nc[nH]n3)nc2C)[C@H](C)C[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266981 562822372 /nfs/dbraw/zinc/82/23/72/562822372.db2.gz CKMASVQQGFXGPL-UTKZUKDTSA-N 1 1 509.058 3.817 1 0 KHAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC ZINC000103275768 562823217 /nfs/dbraw/zinc/82/32/17/562823217.db2.gz CKDALLRCYSNSRF-HOTGVXAUSA-N 1 1 516.396 3.858 1 0 KHAFMO C[NH+]1CCN([C@@H](O)COc2c3c(c(Br)c(Br)c2Br)CC(C)(C)O3)CC1 ZINC000103276213 562823224 /nfs/dbraw/zinc/82/32/24/562823224.db2.gz FMQFEUFCLYYCQZ-NSHDSACASA-N 1 1 543.094 3.632 1 0 KHAFMO C[NH+]1CCN([C@H](O)COc2c3c(c(Br)c(Br)c2Br)CC(C)(C)O3)CC1 ZINC000103276214 562823219 /nfs/dbraw/zinc/82/32/19/562823219.db2.gz FMQFEUFCLYYCQZ-LLVKDONJSA-N 1 1 543.094 3.632 1 0 KHAFMO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)c(F)c4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103285414 562823807 /nfs/dbraw/zinc/82/38/07/562823807.db2.gz KOEKPENHENCDPT-DEOSSOPVSA-N 1 1 556.646 3.845 1 0 KHAFMO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(CCN5CC[NH+](C)CC5)cc4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103287243 562823870 /nfs/dbraw/zinc/82/38/70/562823870.db2.gz NHCQCTRJCYFSFH-NDEPHWFRSA-N 1 1 566.710 3.744 1 0 KHAFMO COc1ccccc1N1CC[NH+](C/C=C/CNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1 ZINC000103297667 562824660 /nfs/dbraw/zinc/82/46/60/562824660.db2.gz ZJCJUHTYZBBRTE-SNAWJCMRSA-N 1 1 510.610 3.650 1 0 KHAFMO COc1ccccc1N1CC[NH+](C/C=C/CNC(=O)c2cc3cc(OCCOCCOCCF)ccc3[nH]2)CC1 ZINC000103297669 562824625 /nfs/dbraw/zinc/82/46/25/562824625.db2.gz OSBDFYCPKUJFJJ-SNAWJCMRSA-N 1 1 554.663 3.666 1 0 KHAFMO CC(C)(C)OC(=O)N[C@@H](Cc1cnc(-c2cccc3ccccc32)[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000103297961 562824653 /nfs/dbraw/zinc/82/46/53/562824653.db2.gz OXBGBCPJFMDEOO-NSOVKSMOSA-N 1 1 626.762 3.730 1 0 KHAFMO Cc1ccc(-c2ncc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103298028 562824672 /nfs/dbraw/zinc/82/46/72/562824672.db2.gz OYJJWFJKWDRXKC-XCZPVHLTSA-N 1 1 520.637 3.780 1 0 KHAFMO COC(=O)[C@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000103298065 562824755 /nfs/dbraw/zinc/82/47/55/562824755.db2.gz ZOBCACZVBWDCNV-BDYUSTAISA-N 1 1 507.594 3.995 1 0 KHAFMO CC(C)(C)OC(=O)N[C@@H](Cc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000103298079 562824724 /nfs/dbraw/zinc/82/47/24/562824724.db2.gz UBEWYJPPGNLXED-SVBPBHIXSA-N 1 1 632.810 3.874 1 0 KHAFMO COc1cc2c(cc1OC)[C@H](NC(=O)CN1CC[NH+](Cc3ccccc3)CC1)c1cnn(-c3ccccc3)c1-2 ZINC000103300464 562824931 /nfs/dbraw/zinc/82/49/31/562824931.db2.gz TVRBKNAHQZCAIV-PMERELPUSA-N 1 1 523.637 3.893 1 0 KHAFMO COc1cc2c(cc1OC)[C@@H](NC(=O)CN1CC[NH+](Cc3ccccc3)CC1)c1cnn(-c3ccccc3)c1-2 ZINC000103300466 562824924 /nfs/dbraw/zinc/82/49/24/562824924.db2.gz TVRBKNAHQZCAIV-SSEXGKCCSA-N 1 1 523.637 3.893 1 0 KHAFMO O=C(c1nn([C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940292 562825600 /nfs/dbraw/zinc/82/56/00/562825600.db2.gz TWSFAEOUABXTKC-JOCHJYFZSA-N 1 1 526.703 3.917 1 0 KHAFMO O=C(c1nn([C@H]2CCC[N@@H+](CCC3CCCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940295 562825581 /nfs/dbraw/zinc/82/55/81/562825581.db2.gz TWSFAEOUABXTKC-QFIPXVFZSA-N 1 1 526.703 3.917 1 0 KHAFMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942945 562825996 /nfs/dbraw/zinc/82/59/96/562825996.db2.gz QINAYZWLPHRNRP-RUZDIDTESA-N 1 1 578.735 3.936 1 0 KHAFMO CC(C)CCO[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942948 562825974 /nfs/dbraw/zinc/82/59/74/562825974.db2.gz QINAYZWLPHRNRP-VWLOTQADSA-N 1 1 578.735 3.936 1 0 KHAFMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943337 562826081 /nfs/dbraw/zinc/82/60/81/562826081.db2.gz SPSKNHQNGRNHNA-RUZDIDTESA-N 1 1 578.735 3.936 1 0 KHAFMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943337 562826080 /nfs/dbraw/zinc/82/60/80/562826080.db2.gz SPSKNHQNGRNHNA-RUZDIDTESA-N 1 1 578.735 3.936 1 0 KHAFMO CC(C)CCO[C@H]1CC[N@@H+](Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943339 562826100 /nfs/dbraw/zinc/82/61/00/562826100.db2.gz SPSKNHQNGRNHNA-VWLOTQADSA-N 1 1 578.735 3.936 1 0 KHAFMO CC(C)CCO[C@H]1CC[N@H+](Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)C1 ZINC000112943339 562826099 /nfs/dbraw/zinc/82/60/99/562826099.db2.gz SPSKNHQNGRNHNA-VWLOTQADSA-N 1 1 578.735 3.936 1 0 KHAFMO O=C(OCc1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)CC1 ZINC000113161921 562826258 /nfs/dbraw/zinc/82/62/58/562826258.db2.gz OALNQDOMXHSFCG-UHFFFAOYSA-N 1 1 533.412 3.987 1 0 KHAFMO CCc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)o1 ZINC000114179498 562827799 /nfs/dbraw/zinc/82/77/99/562827799.db2.gz XIHKIXZXTKKYHU-SJORKVTESA-N 1 1 527.670 3.513 1 0 KHAFMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]c2C1(C)C ZINC000114179693 562827790 /nfs/dbraw/zinc/82/77/90/562827790.db2.gz QFXORRBVFONNKF-HOCLYGCPSA-N 1 1 506.529 3.900 1 0 KHAFMO CCCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)no1 ZINC000114181480 562827782 /nfs/dbraw/zinc/82/77/82/562827782.db2.gz ZFOMTGHGPDFYSE-MSOLQXFVSA-N 1 1 527.670 3.594 1 0 KHAFMO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)on4)n[nH]c3C2(C)C)[C@@H](C)C[N@H+]1CC1CCOCC1 ZINC000114182053 562827899 /nfs/dbraw/zinc/82/78/99/562827899.db2.gz IHNCBCKYYHOQRX-SJORKVTESA-N 1 1 525.654 3.519 1 0 KHAFMO CCc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)cs1 ZINC000114182265 562827893 /nfs/dbraw/zinc/82/78/93/562827893.db2.gz XAQPXIVMGWYWTL-SJORKVTESA-N 1 1 529.711 3.673 1 0 KHAFMO Cc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)s1 ZINC000114184261 562827867 /nfs/dbraw/zinc/82/78/67/562827867.db2.gz OVQIYJJDLGXOMY-CVEARBPZSA-N 1 1 529.711 3.727 1 0 KHAFMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cccc(OC(F)(F)F)c3)n[nH]c2C1(C)C ZINC000114192142 562827956 /nfs/dbraw/zinc/82/79/56/562827956.db2.gz TYGMDALSIBDNJP-HOCLYGCPSA-N 1 1 506.529 3.900 1 0 KHAFMO CN1CC[NH+](CCOc2cccc(NC(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2)CC1 ZINC000114345937 562827993 /nfs/dbraw/zinc/82/79/93/562827993.db2.gz BMBRORMYOGZNDI-UHFFFAOYSA-N 1 1 554.655 3.611 1 0 KHAFMO NC(=O)c1cc(OCCC[N@H+]2CCC[C@H]2CO)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 ZINC000114350002 562828121 /nfs/dbraw/zinc/82/81/21/562828121.db2.gz LTTWDGKJGMQNHP-SFHVURJKSA-N 1 1 503.525 3.585 1 0 KHAFMO O=S(=O)(NCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114602035 562828401 /nfs/dbraw/zinc/82/84/01/562828401.db2.gz CBJLKVBQMMAZQJ-UHFFFAOYSA-N 1 1 500.568 3.686 1 0 KHAFMO CCCC[N@@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C ZINC000114775088 562828508 /nfs/dbraw/zinc/82/85/08/562828508.db2.gz AYGKUFKYYOKPQX-NRFANRHFSA-N 1 1 530.691 3.724 1 0 KHAFMO CCc1cc(-c2noc(-c3cc(C)c(C[N@@H+](C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000114775141 562828475 /nfs/dbraw/zinc/82/84/75/562828475.db2.gz GHEKPOPATTZHPU-NRFANRHFSA-N 1 1 530.691 3.580 1 0 KHAFMO CCC[N@@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC ZINC000114775416 562828468 /nfs/dbraw/zinc/82/84/68/562828468.db2.gz YXJLBZSOQPOXSH-NRFANRHFSA-N 1 1 530.691 3.588 1 0 KHAFMO CN(C)CCNS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978913 562828583 /nfs/dbraw/zinc/82/85/83/562828583.db2.gz YGMISHUULIENHT-VWLOTQADSA-N 1 1 506.112 3.899 1 0 KHAFMO CN(C)CCNS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978915 562828573 /nfs/dbraw/zinc/82/85/73/562828573.db2.gz YGMISHUULIENHT-RUZDIDTESA-N 1 1 506.112 3.899 1 0 KHAFMO CCc1cc(-c2noc(-c3ccc(C[N@@H+](C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115396481 562828889 /nfs/dbraw/zinc/82/88/89/562828889.db2.gz WFLRWGBFCBPIBC-VWLOTQADSA-N 1 1 524.662 3.519 1 0 KHAFMO CCc1cc(-c2noc(-c3cc(C)cc(C[N@@H+](C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115397270 562828911 /nfs/dbraw/zinc/82/89/11/562828911.db2.gz MRILPTODMZTGQK-VWLOTQADSA-N 1 1 524.662 3.519 1 0 KHAFMO CCCC[N@@H+](C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C ZINC000115400370 562828915 /nfs/dbraw/zinc/82/89/15/562828915.db2.gz QTXROWXZNLZFDM-VWLOTQADSA-N 1 1 524.662 3.663 1 0 KHAFMO Cn1cnc2cc(-c3ccc(OC[C@@H]4CCC[N@H+]4Cc4ccccc4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624626 562828972 /nfs/dbraw/zinc/82/89/72/562828972.db2.gz VSEWMMFDSNYUNS-ZCYQVOJMSA-N 1 1 525.653 3.858 1 0 KHAFMO Cn1cnc2cc(-c3ccc(OC[C@H]4CCC[N@H+]4Cc4ccccc4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624628 562828980 /nfs/dbraw/zinc/82/89/80/562828980.db2.gz VSEWMMFDSNYUNS-UKILVPOCSA-N 1 1 525.653 3.858 1 0 KHAFMO CC(C)c1cc(-c2nn(COC(=O)[C@@H]([NH3+])Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115807013 562829049 /nfs/dbraw/zinc/82/90/49/562829049.db2.gz ZEUIDAJZVWNTLS-DEOSSOPVSA-N 1 1 541.608 3.798 1 0 KHAFMO CC(C)c1cc(-c2nn(COC(=O)[C@H]([NH3+])Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115807017 562829055 /nfs/dbraw/zinc/82/90/55/562829055.db2.gz ZEUIDAJZVWNTLS-XMMPIXPASA-N 1 1 541.608 3.798 1 0 KHAFMO C[NH+]1CCN(C(=O)n2nc(-c3cnc4ccc(F)cn34)c3ccc(C(=O)N4CCCCCC4)cc32)CC1 ZINC000115950892 562829068 /nfs/dbraw/zinc/82/90/68/562829068.db2.gz SZQAEQZORIFLTJ-UHFFFAOYSA-N 1 1 503.582 3.722 1 0 KHAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)cccc1N1CCn2c(cc3ccccc32)C1=O ZINC000116053809 562829157 /nfs/dbraw/zinc/82/91/57/562829157.db2.gz BLYRQPFNJSQDQQ-UHFFFAOYSA-N 1 1 520.597 3.746 1 0 KHAFMO CC1(C)C[N@@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000116059120 562829213 /nfs/dbraw/zinc/82/92/13/562829213.db2.gz YSPLXBLCPIVGCZ-UCGGBYDDSA-N 1 1 517.633 3.940 1 0 KHAFMO CC1(C)C[N@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000116059120 562829212 /nfs/dbraw/zinc/82/92/12/562829212.db2.gz YSPLXBLCPIVGCZ-UCGGBYDDSA-N 1 1 517.633 3.940 1 0 KHAFMO Cc1nc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cc(N2CC[NH+](CCO)CC2)n1 ZINC000116145895 562829256 /nfs/dbraw/zinc/82/92/56/562829256.db2.gz YIPCBIDKXZCJQU-UHFFFAOYSA-N 1 1 554.577 3.565 1 0 KHAFMO CC(C)[C@H]1CN(CC2CC[NH2+]CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116179363 562829278 /nfs/dbraw/zinc/82/92/78/562829278.db2.gz GKJGGTPGIKIBKJ-JOCHJYFZSA-N 1 1 503.586 3.587 1 0 KHAFMO C[N@H+]1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 ZINC000117118642 562829697 /nfs/dbraw/zinc/82/96/97/562829697.db2.gz DFGBHCFPHAYFCW-UHFFFAOYSA-N 1 1 550.106 3.713 1 0 KHAFMO CCc1nn(Cc2cccc(OCCN3CCN(C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117827034 562829839 /nfs/dbraw/zinc/82/98/39/562829839.db2.gz VKJMREAAUAJFPB-UHFFFAOYSA-N 1 1 538.656 3.568 1 0 KHAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117874749 562829857 /nfs/dbraw/zinc/82/98/57/562829857.db2.gz MTMQYQXOCXQCHZ-UHFFFAOYSA-N 1 1 552.683 3.877 1 0 KHAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn43)c12 ZINC000117874749 562829856 /nfs/dbraw/zinc/82/98/56/562829856.db2.gz MTMQYQXOCXQCHZ-UHFFFAOYSA-N 1 1 552.683 3.877 1 0 KHAFMO CCc1nn(Cc2nc(C)cs2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117878407 562829877 /nfs/dbraw/zinc/82/98/77/562829877.db2.gz UUBIFSFENVYIKI-UHFFFAOYSA-N 1 1 558.712 3.938 1 0 KHAFMO CCn1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)n1 ZINC000117879462 562829922 /nfs/dbraw/zinc/82/99/22/562829922.db2.gz MFKOCGITFPBMOA-UHFFFAOYSA-N 1 1 567.698 3.705 1 0 KHAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@@H]5CC[N@@H+](C)C5)ccn43)c12 ZINC000117879776 562829900 /nfs/dbraw/zinc/82/99/00/562829900.db2.gz GXEOVLLINHXMNO-JOCHJYFZSA-N 1 1 536.640 3.684 1 0 KHAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@H]5CC[N@@H+](C)C5)ccn43)c12 ZINC000117879778 562829917 /nfs/dbraw/zinc/82/99/17/562829917.db2.gz GXEOVLLINHXMNO-QFIPXVFZSA-N 1 1 536.640 3.684 1 0 KHAFMO CCc1nn(Cc2nccs2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117879950 562829934 /nfs/dbraw/zinc/82/99/34/562829934.db2.gz KLSUKMJBPGUGJF-UHFFFAOYSA-N 1 1 544.685 3.630 1 0 KHAFMO CCc1nn(Cc2ccc(F)cn2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117883522 562829982 /nfs/dbraw/zinc/82/99/82/562829982.db2.gz VBWSYUAKXRZVQI-UHFFFAOYSA-N 1 1 556.646 3.707 1 0 KHAFMO CCc1nn(Cc2csc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117887971 562829942 /nfs/dbraw/zinc/82/99/42/562829942.db2.gz OYSJUNNZMYPPDD-UHFFFAOYSA-N 1 1 558.712 3.938 1 0 KHAFMO Cc1nnc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)s1 ZINC000117892653 562830038 /nfs/dbraw/zinc/83/00/38/562830038.db2.gz WAEULDKXPICBAH-UHFFFAOYSA-N 1 1 571.711 3.648 1 0 KHAFMO CCc1nn(Cc2ccc(C)nc2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117894947 562830030 /nfs/dbraw/zinc/83/00/30/562830030.db2.gz MUQOZFSJWOZKIK-UHFFFAOYSA-N 1 1 552.683 3.877 1 0 KHAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@@H]5[C@@H](O)CC[N@H+]5C)ccn43)c12 ZINC000117896646 562830051 /nfs/dbraw/zinc/83/00/51/562830051.db2.gz HELCPFDQBXVHLR-SXOMAYOGSA-N 1 1 539.640 3.694 1 0 KHAFMO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)co1 ZINC000117896824 562830019 /nfs/dbraw/zinc/83/00/19/562830019.db2.gz IITXCSGLGPACEA-UHFFFAOYSA-N 1 1 554.655 3.785 1 0 KHAFMO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)ccc1O ZINC000117896858 562830034 /nfs/dbraw/zinc/83/00/34/562830034.db2.gz ATYXRXQIWBNAQW-UHFFFAOYSA-N 1 1 580.693 3.897 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCC[C@@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118584648 562830348 /nfs/dbraw/zinc/83/03/48/562830348.db2.gz BXXWHFGJPHSCSJ-OAQYLSRUSA-N 1 1 502.623 3.588 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[N@H+]5CCC[C@H]5C4=O)cn3)nc2n1C1CCCCC1 ZINC000118588692 562830413 /nfs/dbraw/zinc/83/04/13/562830413.db2.gz BXXWHFGJPHSCSJ-NRFANRHFSA-N 1 1 502.623 3.588 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5CC[C@H](CC4=O)[N@H+]5C)cn3)nc2n1C1CCCC1 ZINC000118592217 562830425 /nfs/dbraw/zinc/83/04/25/562830425.db2.gz FIMQVRFSGKERNW-CTNGQTDRSA-N 1 1 502.623 3.586 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C(=O)C[NH+]5CCC4CC5)cn3)nc2n1C1CCCCCC1 ZINC000118597239 562830431 /nfs/dbraw/zinc/83/04/31/562830431.db2.gz DSCMBIMDDPKUCE-UHFFFAOYSA-N 1 1 516.650 3.978 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@H+]3CC[C@@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000136864413 562831276 /nfs/dbraw/zinc/83/12/76/562831276.db2.gz WJAKHOJSUXKJOB-DWLFOUALSA-N 1 1 532.041 3.572 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@@H+]3CC[C@@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000136864413 562831275 /nfs/dbraw/zinc/83/12/75/562831275.db2.gz WJAKHOJSUXKJOB-DWLFOUALSA-N 1 1 532.041 3.572 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000137468983 562831481 /nfs/dbraw/zinc/83/14/81/562831481.db2.gz VIXULTRKHNJGCZ-AAAUCYHNSA-N 1 1 593.813 3.608 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1ccccn1 ZINC000137469046 562831487 /nfs/dbraw/zinc/83/14/87/562831487.db2.gz VIXULTRKHNJGCZ-YDJWKNINSA-N 1 1 593.813 3.608 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CC[NH+](C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137847245 562831562 /nfs/dbraw/zinc/83/15/62/562831562.db2.gz SPELKVATJBMWHZ-UHFFFAOYSA-N 1 1 572.439 3.735 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H]1CCC[N@@H+]1C)ncnc2Nc1ccc(Br)cc1F ZINC000137847575 562831587 /nfs/dbraw/zinc/83/15/87/562831587.db2.gz QKEQHMZWPIXXEY-OAQYLSRUSA-N 1 1 557.424 3.989 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H]1CCC[N@@H+]1C)ncnc2Nc1ccc(Br)cc1F ZINC000137847697 562831605 /nfs/dbraw/zinc/83/16/05/562831605.db2.gz QKEQHMZWPIXXEY-NRFANRHFSA-N 1 1 557.424 3.989 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[N@H+](C)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137919637 562831682 /nfs/dbraw/zinc/83/16/82/562831682.db2.gz KBHOZTNSGNVWQF-UHFFFAOYSA-N 1 1 545.413 3.846 1 0 KHAFMO CCc1cnc(-c2ccc(N3CCN(C(=O)C[N@H+]4CC[C@@H](C(=O)Nc5ccc(O)c(Cl)c5)C4)CC3)cc2)nc1 ZINC000138505281 562831982 /nfs/dbraw/zinc/83/19/82/562831982.db2.gz RMWIFGBVICWWOL-JOCHJYFZSA-N 1 1 549.075 3.674 1 0 KHAFMO CC[N@@H+](CCCCO)CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000139141659 562832361 /nfs/dbraw/zinc/83/23/61/562832361.db2.gz FPALMJUTIVAABD-UHFFFAOYSA-N 1 1 557.433 3.621 1 0 KHAFMO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH+]3CCCC3)nc2N)cc1I ZINC000139187819 562832369 /nfs/dbraw/zinc/83/23/69/562832369.db2.gz PROWDJZBCOKMHQ-UHFFFAOYSA-N 1 1 511.364 3.622 1 0 KHAFMO CN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139536038 562832605 /nfs/dbraw/zinc/83/26/05/562832605.db2.gz BCTRLWGBBPOMCO-UHFFFAOYSA-N 1 1 501.631 3.956 1 0 KHAFMO C[NH+]1CCN(c2ncc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1 ZINC000139536476 562832586 /nfs/dbraw/zinc/83/25/86/562832586.db2.gz ZHYANUGGYRLICR-UHFFFAOYSA-N 1 1 510.524 3.894 1 0 KHAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 ZINC000140102721 562832909 /nfs/dbraw/zinc/83/29/09/562832909.db2.gz SHZQFCCAXXWWLW-MALNDZBISA-N 1 1 545.668 3.737 1 0 KHAFMO C[NH+]1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 ZINC000140265482 562832976 /nfs/dbraw/zinc/83/29/76/562832976.db2.gz QYTYCLFCXDNBPJ-UHFFFAOYSA-N 1 1 507.034 3.730 1 0 KHAFMO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC1(OC(=O)C[NH3+])CC(F)(F)C1 ZINC000140534072 562833109 /nfs/dbraw/zinc/83/31/09/562833109.db2.gz SGFCFMXYVFAHNE-UHFFFAOYSA-N 1 1 544.942 3.863 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000140593035 562833191 /nfs/dbraw/zinc/83/31/91/562833191.db2.gz NIEASVXNEGGPFU-GOSISDBHSA-N 1 1 541.664 3.611 1 0 KHAFMO C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)cc2)C1 ZINC000140652795 562833208 /nfs/dbraw/zinc/83/32/08/562833208.db2.gz XNXRNNXYLYEHNX-HOFKKMOUSA-N 1 1 508.707 3.912 1 0 KHAFMO COCC(=O)N1CCC2(CCN(c3ccc(N4CC[C@H]([N@H+]5CCC[C@@H]5C)C4)cc3C(F)(F)F)C2=O)CC1 ZINC000140668315 562833277 /nfs/dbraw/zinc/83/32/77/562833277.db2.gz VYZYLRONQXAQQK-FPOVZHCZSA-N 1 1 522.612 3.760 1 0 KHAFMO CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(C(=O)NN4CC[NH+](C)CC4)cc3F)nc21 ZINC000142240579 562834059 /nfs/dbraw/zinc/83/40/59/562834059.db2.gz NVOZOBFMWRZFHB-UHFFFAOYSA-N 1 1 503.586 3.926 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+]1CC=CC1)ncnc2Nc1ccc(Br)cc1F ZINC000142277350 562834123 /nfs/dbraw/zinc/83/41/23/562834123.db2.gz QWIUMUFIKLQVQM-UHFFFAOYSA-N 1 1 555.408 3.766 1 0 KHAFMO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+]1CCC1)ncnc2Nc1ccc(Br)cc1F ZINC000142776580 562834291 /nfs/dbraw/zinc/83/42/91/562834291.db2.gz LRZJFGQTXFKLHL-UHFFFAOYSA-N 1 1 543.397 3.600 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCCC[C@@H]6O)ccn5)n4)ccc3[nH]2)CC1 ZINC000142939952 562834406 /nfs/dbraw/zinc/83/44/06/562834406.db2.gz DSMRWWJLKZSWTI-SVBPBHIXSA-N 1 1 527.629 3.833 1 0 KHAFMO COc1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143088062 562834577 /nfs/dbraw/zinc/83/45/77/562834577.db2.gz YTQSCYPSQIKWIL-UHFFFAOYSA-N 1 1 601.111 3.552 1 0 KHAFMO Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000143136547 562834695 /nfs/dbraw/zinc/83/46/95/562834695.db2.gz XKVUMIOOBCRTBK-JOCHJYFZSA-N 1 1 532.472 3.993 1 0 KHAFMO Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Br)c(C)c3)CC2)n1 ZINC000143326363 562834917 /nfs/dbraw/zinc/83/49/17/562834917.db2.gz HITKWWBAAMNPJX-HSZRJFAPSA-N 1 1 556.505 3.757 1 0 KHAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000143438189 562835042 /nfs/dbraw/zinc/83/50/42/562835042.db2.gz ZOGMNODWMKESAB-WFZAHQNKSA-N 1 1 537.730 3.853 1 0 KHAFMO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1-c1nc2c(ncc(Cl)c2N[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(N)=O)[nH]1 ZINC000143678781 562835236 /nfs/dbraw/zinc/83/52/36/562835236.db2.gz ORFGUEWOGJKLFU-XOSANVASSA-N 1 1 591.160 3.591 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(C)CO)ccn5)n4)ccc3[nH]2)CC1 ZINC000144190397 562835813 /nfs/dbraw/zinc/83/58/13/562835813.db2.gz CVHRNCJEGZDRJA-UHFFFAOYSA-N 1 1 515.618 3.548 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H]6CCCO6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195398 562835853 /nfs/dbraw/zinc/83/58/53/562835853.db2.gz RGVFIZYNBXNWRS-QFIPXVFZSA-N 1 1 513.602 3.709 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H]6CCCO6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195616 562835860 /nfs/dbraw/zinc/83/58/60/562835860.db2.gz RGVFIZYNBXNWRS-JOCHJYFZSA-N 1 1 513.602 3.709 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCC[C@@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144195844 562835857 /nfs/dbraw/zinc/83/58/57/562835857.db2.gz VSKPMVQLECLAGR-FGZHOGPDSA-N 1 1 527.629 3.833 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCC[C@@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196052 562835891 /nfs/dbraw/zinc/83/58/91/562835891.db2.gz VSKPMVQLECLAGR-YADHBBJMSA-N 1 1 527.629 3.833 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCC[C@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196236 562835872 /nfs/dbraw/zinc/83/58/72/562835872.db2.gz VSKPMVQLECLAGR-FCHUYYIVSA-N 1 1 527.629 3.833 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCC[C@H](O)C6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144196447 562835855 /nfs/dbraw/zinc/83/58/55/562835855.db2.gz VSKPMVQLECLAGR-VXKWHMMOSA-N 1 1 527.629 3.833 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCN6CCCCC6=O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144199807 562835899 /nfs/dbraw/zinc/83/58/99/562835899.db2.gz LCFLRJXRWMNTOX-UHFFFAOYSA-N 1 1 554.655 3.542 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCCOC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144200249 562835878 /nfs/dbraw/zinc/83/58/78/562835878.db2.gz RHFBSXSIEKVASU-JOCHJYFZSA-N 1 1 513.602 3.709 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCCOC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144200458 562835884 /nfs/dbraw/zinc/83/58/84/562835884.db2.gz RHFBSXSIEKVASU-QFIPXVFZSA-N 1 1 513.602 3.709 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC6CCOCC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144206663 562835952 /nfs/dbraw/zinc/83/59/52/562835952.db2.gz GZJJOOIDMFXAGP-UHFFFAOYSA-N 1 1 513.602 3.709 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC6(C)COC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144207075 562835920 /nfs/dbraw/zinc/83/59/20/562835920.db2.gz NGFHXEDVDKVJHU-UHFFFAOYSA-N 1 1 513.602 3.566 1 0 KHAFMO CCC1(COc2ccnc(-c3ccnc(Nc4ccc5[nH]c(C(=O)N6CC[NH+](C)CC6)cc5c4)n3)c2)COC1 ZINC000144209639 562835947 /nfs/dbraw/zinc/83/59/47/562835947.db2.gz KKTMYUIKDVMACW-UHFFFAOYSA-N 1 1 527.629 3.957 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCC(C)(C)O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144216231 562835937 /nfs/dbraw/zinc/83/59/37/562835937.db2.gz WCYYHDJIMOOTBU-UHFFFAOYSA-N 1 1 515.618 3.691 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCCN6CCCC6=O)ccn5)n4)ccc3[nH]2)CC1 ZINC000144216459 562835924 /nfs/dbraw/zinc/83/59/24/562835924.db2.gz DMOBAAVAQRJUIV-UHFFFAOYSA-N 1 1 554.655 3.542 1 0 KHAFMO C[NH+]1CCC(CN2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CC1 ZINC000144220622 562835999 /nfs/dbraw/zinc/83/59/99/562835999.db2.gz SWGUHMRLTKLIMS-UHFFFAOYSA-N 1 1 510.646 3.863 1 0 KHAFMO CN1CC[N@H+](C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CCC1=O ZINC000144224841 562836001 /nfs/dbraw/zinc/83/60/01/562836001.db2.gz CJEFPPDEDOJMRF-UHFFFAOYSA-N 1 1 524.629 3.532 1 0 KHAFMO COCCn1cncc1COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144232378 562835987 /nfs/dbraw/zinc/83/59/87/562835987.db2.gz SHLYXJKGNTVMEZ-UHFFFAOYSA-N 1 1 567.654 3.573 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@H+]3CC[C@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000144239968 562836005 /nfs/dbraw/zinc/83/60/05/562836005.db2.gz WJAKHOJSUXKJOB-VCOUNFBDSA-N 1 1 532.041 3.572 1 0 KHAFMO COc1ccc2nccc([C@@H](O)C[N@@H+]3CC[C@H](NCc4nc5c(cc4Cl)SCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000144239968 562836004 /nfs/dbraw/zinc/83/60/04/562836004.db2.gz WJAKHOJSUXKJOB-VCOUNFBDSA-N 1 1 532.041 3.572 1 0 KHAFMO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2F)[C@@H]([N@H+]2C[C@@H]4C[C@@H]4C2)CC3)c1 ZINC000144661429 562836580 /nfs/dbraw/zinc/83/65/80/562836580.db2.gz TWCWEIYQSXFIGD-JCPVEWQXSA-N 1 1 524.662 3.509 1 0 KHAFMO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2F)[C@H]([N@H+]2C[C@@H]4C[C@@H]4C2)CC3)c1 ZINC000144661630 562836574 /nfs/dbraw/zinc/83/65/74/562836574.db2.gz TWCWEIYQSXFIGD-MZAVPQGISA-N 1 1 524.662 3.509 1 0 KHAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@@H](O)C4)ccn3)c2s1 ZINC000144700302 562836643 /nfs/dbraw/zinc/83/66/43/562836643.db2.gz QOHZXZWNMWSGLM-LJQANCHMSA-N 1 1 533.658 3.751 1 0 KHAFMO COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000144877289 562836684 /nfs/dbraw/zinc/83/66/84/562836684.db2.gz QKFQCMAEUQNMON-GIGWZHCTSA-N 1 1 599.711 3.618 1 0 KHAFMO CC(=O)N1CCC(Oc2ccnc(-c3ccnc(Nc4ccc5[nH]c(C(=O)N6CC[NH+](C)CC6)cc5c4)n3)c2)CC1 ZINC000145265446 562836943 /nfs/dbraw/zinc/83/69/43/562836943.db2.gz JBBTVTHFWKRPRZ-UHFFFAOYSA-N 1 1 554.655 3.541 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCCC[C@@H]6O)ccn5)n4)ccc3[nH]2)CC1 ZINC000145329446 562837033 /nfs/dbraw/zinc/83/70/33/562837033.db2.gz DSMRWWJLKZSWTI-RRPNLBNLSA-N 1 1 527.629 3.833 1 0 KHAFMO C[N@H+]1[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(F)c(F)cc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000145637723 562837401 /nfs/dbraw/zinc/83/74/01/562837401.db2.gz NCVZNOICJNGHGC-BGCYMAIVSA-N 1 1 568.036 3.709 1 0 KHAFMO Cc1ccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCC[NH+]4CCOCC4)c3C(N)=O)cc2)cc1 ZINC000145680833 562837457 /nfs/dbraw/zinc/83/74/57/562837457.db2.gz HHPVWJJNJSJOLQ-UHFFFAOYSA-N 1 1 537.646 3.705 1 0 KHAFMO Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCC[NH+]4CCOCC4)c3C(N)=O)cc2)c1 ZINC000145702045 562837509 /nfs/dbraw/zinc/83/75/09/562837509.db2.gz FAIYNQQPUQQMIC-UHFFFAOYSA-N 1 1 555.636 3.844 1 0 KHAFMO Cc1cccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCC[NH+]4CCOCC4)c3C(N)=O)cc2)c1 ZINC000145703157 562837505 /nfs/dbraw/zinc/83/75/05/562837505.db2.gz CNIWCJQSFDYIDI-UHFFFAOYSA-N 1 1 537.646 3.705 1 0 KHAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cnc(C(C)(C)C)cn1 ZINC000145893521 562837689 /nfs/dbraw/zinc/83/76/89/562837689.db2.gz LMDRAJWAIDEPEN-UHFFFAOYSA-N 1 1 531.596 3.610 1 0 KHAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146054179 562838050 /nfs/dbraw/zinc/83/80/50/562838050.db2.gz CQYHKMMJNXVYGS-XXBNENTESA-N 1 1 601.035 3.780 1 0 KHAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146059086 562838087 /nfs/dbraw/zinc/83/80/87/562838087.db2.gz SZQKKHJSPCEKGM-XXBNENTESA-N 1 1 585.036 3.848 1 0 KHAFMO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@H]4[C@H]4CCCC[N@@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000146153535 562838320 /nfs/dbraw/zinc/83/83/20/562838320.db2.gz BTRBVLVZBYMHDD-UXHICEINSA-N 1 1 516.572 3.920 1 0 KHAFMO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@H]4[C@@H]4CCCC[N@@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000146153748 562838354 /nfs/dbraw/zinc/83/83/54/562838354.db2.gz BTRBVLVZBYMHDD-PMACEKPBSA-N 1 1 516.572 3.920 1 0 KHAFMO CN(C)[C@@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146409604 562838508 /nfs/dbraw/zinc/83/85/08/562838508.db2.gz STZBIAMKHPNIHH-BJKOFHAPSA-N 1 1 547.773 3.912 1 0 KHAFMO CN(C)[C@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146409800 562838528 /nfs/dbraw/zinc/83/85/28/562838528.db2.gz STZBIAMKHPNIHH-ZEQRLZLVSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146448234 562838560 /nfs/dbraw/zinc/83/85/60/562838560.db2.gz UJYWAKUSEQRDHA-XZOQPEGZSA-N 1 1 533.746 3.522 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146451582 562838569 /nfs/dbraw/zinc/83/85/69/562838569.db2.gz VMROUOREXJMAKQ-BJKOFHAPSA-N 1 1 547.773 3.912 1 0 KHAFMO CN(C)C1CC[NH+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000146470884 562838639 /nfs/dbraw/zinc/83/86/39/562838639.db2.gz MKYOWSAWQXJQOW-QHCPKHFHSA-N 1 1 547.773 3.912 1 0 KHAFMO CN(C)C1CC[NH+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000146471087 562838628 /nfs/dbraw/zinc/83/86/28/562838628.db2.gz MKYOWSAWQXJQOW-HSZRJFAPSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCC(C(N)=O)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146474462 562838626 /nfs/dbraw/zinc/83/86/26/562838626.db2.gz GYDUVUGSLVJPFX-XMMPIXPASA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCC(C(N)=O)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146474663 562838644 /nfs/dbraw/zinc/83/86/44/562838644.db2.gz GYDUVUGSLVJPFX-DEOSSOPVSA-N 1 1 547.773 3.912 1 0 KHAFMO CN(C)[C@@H]1CC[N@@H+](CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146484895 562838648 /nfs/dbraw/zinc/83/86/48/562838648.db2.gz DRDCECDCZJUZJG-XZOQPEGZSA-N 1 1 533.746 3.522 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146526468 562838662 /nfs/dbraw/zinc/83/86/62/562838662.db2.gz BXQIJEWXGSNMPH-ISKFKSNPSA-N 1 1 533.746 3.665 1 0 KHAFMO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146620527 562838746 /nfs/dbraw/zinc/83/87/46/562838746.db2.gz ZUMVEPKZDXTGAW-LOSJGSFVSA-N 1 1 547.773 3.925 1 0 KHAFMO C[NH+]1CCN(c2ccc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)nn2)CC1 ZINC000146925109 562838875 /nfs/dbraw/zinc/83/88/75/562838875.db2.gz CBVNCWLIAXJKQI-UHFFFAOYSA-N 1 1 510.524 3.894 1 0 KHAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)nc3)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1 ZINC000147081081 562839138 /nfs/dbraw/zinc/83/91/38/562839138.db2.gz CNMYBGGPQLMJRW-UHFFFAOYSA-N 1 1 516.690 3.542 1 0 KHAFMO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1-c1nc2c(ncc(Cl)c2N[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(N)=O)[nH]1 ZINC000147521830 562839419 /nfs/dbraw/zinc/83/94/19/562839419.db2.gz ADYZVNMLQOHYDE-BAYWULLTSA-N 1 1 578.117 3.676 1 0 KHAFMO C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1 ZINC000147808687 562839620 /nfs/dbraw/zinc/83/96/20/562839620.db2.gz CNQBERLLQMJSEC-APWZRJJASA-N 1 1 501.541 3.844 1 0 KHAFMO C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1 ZINC000147808687 562839619 /nfs/dbraw/zinc/83/96/19/562839619.db2.gz CNQBERLLQMJSEC-APWZRJJASA-N 1 1 501.541 3.844 1 0 KHAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1 ZINC000147808897 562839675 /nfs/dbraw/zinc/83/96/75/562839675.db2.gz CNQBERLLQMJSEC-LPHOPBHVSA-N 1 1 501.541 3.844 1 0 KHAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C1 ZINC000147808897 562839674 /nfs/dbraw/zinc/83/96/74/562839674.db2.gz CNQBERLLQMJSEC-LPHOPBHVSA-N 1 1 501.541 3.844 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C)CC3)nc12 ZINC000148029704 562839862 /nfs/dbraw/zinc/83/98/62/562839862.db2.gz KNAFDEGKASTIMX-UHFFFAOYSA-N 1 1 530.637 3.734 1 0 KHAFMO C[NH+]1CCN(c2nc(N)c3ncnc(Nc4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)c3n2)CC1 ZINC000148033221 562839905 /nfs/dbraw/zinc/83/99/05/562839905.db2.gz WMYOWBYOFNGYDL-UHFFFAOYSA-N 1 1 523.523 3.769 1 0 KHAFMO COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000148037120 562839941 /nfs/dbraw/zinc/83/99/41/562839941.db2.gz YPNYRPBCWYTQSE-UHFFFAOYSA-N 1 1 553.549 3.777 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc12 ZINC000148039467 562839950 /nfs/dbraw/zinc/83/99/50/562839950.db2.gz BETYEDKQDABPMQ-FQEVSTJZSA-N 1 1 585.717 3.628 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc12 ZINC000148039690 562839948 /nfs/dbraw/zinc/83/99/48/562839948.db2.gz BETYEDKQDABPMQ-HXUWFJFHSA-N 1 1 585.717 3.628 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@@H]4CCC[N@H+](C)C4)CC3)nc12 ZINC000148040522 562839960 /nfs/dbraw/zinc/83/99/60/562839960.db2.gz HEDVUPDBVUMTCY-OAQYLSRUSA-N 1 1 612.787 3.791 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C[C@H]4CCC[N@H+](C)C4)CC3)nc12 ZINC000148040711 562839986 /nfs/dbraw/zinc/83/99/86/562839986.db2.gz HEDVUPDBVUMTCY-NRFANRHFSA-N 1 1 612.787 3.791 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCC(N4CC[NH+](C)CC4)CC3)nc12 ZINC000148045930 562839976 /nfs/dbraw/zinc/83/99/76/562839976.db2.gz HCQKMNGMKGPIEY-UHFFFAOYSA-N 1 1 598.760 3.543 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2c(N)nc(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000148053970 562840010 /nfs/dbraw/zinc/84/00/10/562840010.db2.gz DRJKNGBUVQSMEN-LJQANCHMSA-N 1 1 555.691 3.622 1 0 KHAFMO C[N@H+]1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148090040 562840205 /nfs/dbraw/zinc/84/02/05/562840205.db2.gz PZCPIIZQPOODRD-UHFFFAOYSA-N 1 1 519.585 3.982 1 0 KHAFMO COc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148101319 562840220 /nfs/dbraw/zinc/84/02/20/562840220.db2.gz KETCFXMHUOFNPX-UHFFFAOYSA-N 1 1 531.621 3.852 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148221988 562840602 /nfs/dbraw/zinc/84/06/02/562840602.db2.gz DLYMFVCOHGLILQ-UHFFFAOYSA-N 1 1 523.523 3.890 1 0 KHAFMO Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148229679 562840665 /nfs/dbraw/zinc/84/06/65/562840665.db2.gz NEVGSISMAKDRLZ-UHFFFAOYSA-N 1 1 544.567 3.736 1 0 KHAFMO C[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148242194 562840692 /nfs/dbraw/zinc/84/06/92/562840692.db2.gz FALYDQHXZUYXMW-UHFFFAOYSA-N 1 1 505.558 3.592 1 0 KHAFMO Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc(Nc2ncnc3cnc(N4CC[NH+](C)CC4)nc32)c1C ZINC000148266865 562840761 /nfs/dbraw/zinc/84/07/61/562840761.db2.gz WKDWNPQEMKLAAQ-UHFFFAOYSA-N 1 1 528.665 3.815 1 0 KHAFMO Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CC[NH+](C)CC4)nc32)c1 ZINC000148268068 562840790 /nfs/dbraw/zinc/84/07/90/562840790.db2.gz VZDXLTZQJXQEHN-UHFFFAOYSA-N 1 1 535.056 3.852 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148275174 562840806 /nfs/dbraw/zinc/84/08/06/562840806.db2.gz SJRUYJFRHDYWHH-UHFFFAOYSA-N 1 1 549.611 3.609 1 0 KHAFMO CN(c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1)[C@@H]1CC[N@@H+](C)C1 ZINC000148277414 562840860 /nfs/dbraw/zinc/84/08/60/562840860.db2.gz JSCPXNCVEXLXMD-MRXNPFEDSA-N 1 1 519.585 3.981 1 0 KHAFMO CN(c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1)[C@H]1CC[N@@H+](C)C1 ZINC000148277627 562840864 /nfs/dbraw/zinc/84/08/64/562840864.db2.gz JSCPXNCVEXLXMD-INIZCTEOSA-N 1 1 519.585 3.981 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)nn5C)ccc4C)c3n2)CC1 ZINC000148290455 562840919 /nfs/dbraw/zinc/84/09/19/562840919.db2.gz VLYOADCUWNPWBM-UHFFFAOYSA-N 1 1 558.691 3.524 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)[nH]n5)ccc4C)c3n2)CC1 ZINC000148291881 562840899 /nfs/dbraw/zinc/84/08/99/562840899.db2.gz DTGOHEDUGODYMO-UHFFFAOYSA-N 1 1 544.664 3.513 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccn5)ccc4C)c3n2)CC1 ZINC000148292108 562840887 /nfs/dbraw/zinc/84/08/87/562840887.db2.gz ZQGLWPFTILRZAK-UHFFFAOYSA-N 1 1 567.576 3.906 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148303637 562840952 /nfs/dbraw/zinc/84/09/52/562840952.db2.gz ZCVYGSCCYTXMQI-UHFFFAOYSA-N 1 1 514.638 3.887 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3C[C@H]4C[C@@H]3C[N@@H+]4C)nc21 ZINC000148325746 562840980 /nfs/dbraw/zinc/84/09/80/562840980.db2.gz FPYGQCVQFUNXSF-QZTJIDSGSA-N 1 1 513.606 3.902 1 0 KHAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148328492 562841058 /nfs/dbraw/zinc/84/10/58/562841058.db2.gz JOTQIVYQCOHBMZ-UHFFFAOYSA-N 1 1 501.595 3.761 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148339707 562841030 /nfs/dbraw/zinc/84/10/30/562841030.db2.gz SMNVAWMFGUTYDM-UHFFFAOYSA-N 1 1 545.648 3.778 1 0 KHAFMO COCC[NH+]1CCN(c2ncc3ncnc(N(C)c4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148367422 562841149 /nfs/dbraw/zinc/84/11/49/562841149.db2.gz TVXAWWQWYUCIGC-UHFFFAOYSA-N 1 1 559.675 3.802 1 0 KHAFMO COc1ccc2ncc(F)c(CC[N@H+]3C[C@@H]4CCC[C@@]4(CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000148450500 562841349 /nfs/dbraw/zinc/84/13/49/562841349.db2.gz SRAVTNUCBHQYLG-CBZJRKILSA-N 1 1 522.650 3.651 1 0 KHAFMO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@@H]2CCCN(C)C2)n1 ZINC000148460561 562841403 /nfs/dbraw/zinc/84/14/03/562841403.db2.gz JGBKEMZDTUHFHD-GOSISDBHSA-N 1 1 522.572 3.545 1 0 KHAFMO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@H]2CCCN(C)C2)n1 ZINC000148460756 562841438 /nfs/dbraw/zinc/84/14/38/562841438.db2.gz JGBKEMZDTUHFHD-SFHVURJKSA-N 1 1 522.572 3.545 1 0 KHAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccoc3)cc2)CC1 ZINC000148737509 562841733 /nfs/dbraw/zinc/84/17/33/562841733.db2.gz BBYFVGAOJBLRNL-HXUWFJFHSA-N 1 1 509.006 3.915 1 0 KHAFMO CC(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](CC(=O)N3CCN(c4ccc(-c5ncccn5)cc4)CC3)C2)ccc1O ZINC000148790029 562841824 /nfs/dbraw/zinc/84/18/24/562841824.db2.gz QBSJGELDWMYNBG-HSZRJFAPSA-N 1 1 528.657 3.582 1 0 KHAFMO C[C@H]1C[N@H+]2CCC[C@H]2C[C@@H]1C(=O)N1Cc2c(NC(=O)c3csc(Br)n3)n[nH]c2C1(C)C ZINC000149112216 562842176 /nfs/dbraw/zinc/84/21/76/562842176.db2.gz CEDRRNYDWZBRDP-AVGNSLFASA-N 1 1 507.458 3.579 1 0 KHAFMO C[C@H]1C[N@H+]2CCC[C@H]2C[C@H]1C(=O)N1Cc2c(NC(=O)c3csc(Br)n3)n[nH]c2C1(C)C ZINC000149112420 562842167 /nfs/dbraw/zinc/84/21/67/562842167.db2.gz CEDRRNYDWZBRDP-RWMBFGLXSA-N 1 1 507.458 3.579 1 0 KHAFMO COc1ccc(CNC(=O)C2CCC([NH+]3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc54)C3)CC2)c(OC)c1 ZINC000149121695 562842180 /nfs/dbraw/zinc/84/21/80/562842180.db2.gz LWXANGVPWSBMCN-UHFFFAOYSA-N 1 1 600.642 3.753 1 0 KHAFMO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5nc6c(c(C)c5F)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000149151170 562842281 /nfs/dbraw/zinc/84/22/81/562842281.db2.gz UAKHGHPUFYJSQX-UHFFFAOYSA-N 1 1 525.556 3.755 1 0 KHAFMO [NH3+]CCCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149179139 562842381 /nfs/dbraw/zinc/84/23/81/562842381.db2.gz VUFOAJNCCLDYIJ-UHFFFAOYSA-N 1 1 564.662 3.807 1 0 KHAFMO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5nc6c(cc5Cl)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000149240325 562842546 /nfs/dbraw/zinc/84/25/46/562842546.db2.gz VSAIRVCHLGIPAP-UHFFFAOYSA-N 1 1 527.984 3.961 1 0 KHAFMO CCS(=O)(=O)C[C@@H]1C[C@H]([N@@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O ZINC000149335965 562842598 /nfs/dbraw/zinc/84/25/98/562842598.db2.gz AVXGBMXCKBNWOV-PUHABZHSSA-N 1 1 539.742 3.997 1 0 KHAFMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150208597 562842926 /nfs/dbraw/zinc/84/29/26/562842926.db2.gz ZQKHELWUDLMZPH-CTFQRZDPSA-N 1 1 522.612 3.575 1 0 KHAFMO C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@@H]3CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]4(C)C[C@H](N)N[C@H](Cc5cccc(c5)C3)C4)CC[N@@H+]12 ZINC000150358943 560045362 /nfs/dbraw/zinc/04/53/62/560045362.db2.gz PKCWFUHULLUCCM-FCZFWKQCSA-N 1 1 598.873 3.957 1 0 biogenic,in-vitro KHAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2nc3cc[nH]cc-3n2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000150547669 562844496 /nfs/dbraw/zinc/84/44/96/562844496.db2.gz CYWWTLLKOBOVPJ-SAQIKECMSA-N 1 1 806.965 3.873 1 0 KHAFMO COc1cccc(C(=N)Nc2cc(C(=O)NC3=CN(C)[C@H](C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)C3)n(C)c2)c1 ZINC000150558240 562844812 /nfs/dbraw/zinc/84/48/12/562844812.db2.gz MPUVPTDKRTVYID-VWLOTQADSA-N 1 1 649.822 3.647 1 0 KHAFMO COc1cccc(C(=N)Nc2cc(C(=O)NC3=CN(C)[C@@H](C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)C3)n(C)c2)c1 ZINC000150558248 562844816 /nfs/dbraw/zinc/84/48/16/562844816.db2.gz MPUVPTDKRTVYID-RUZDIDTESA-N 1 1 649.822 3.647 1 0 KHAFMO COC(=O)Nc1ccc(-c2[nH]c([C@H](CC(=O)N3CC[NH+](C)CC3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)nc2Cl)cc1 ZINC000164469971 562849623 /nfs/dbraw/zinc/84/96/23/562849623.db2.gz VWCBPXNZZXNGJW-FNNZQJQASA-N 1 1 653.531 3.572 1 0 KHAFMO Cc1ncc(Cn2nc(I)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)s1 ZINC000165063321 562849835 /nfs/dbraw/zinc/84/98/35/562849835.db2.gz JYJSLERSUMRWQZ-UHFFFAOYSA-N 1 1 656.554 3.980 1 0 KHAFMO CC(C)[C@H]1CN(CC2CC[NH+](C)CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165200412 562849865 /nfs/dbraw/zinc/84/98/65/562849865.db2.gz UEXWYWBOKHJDMA-HSZRJFAPSA-N 1 1 517.613 3.929 1 0 KHAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(=NN3CC[NH+](C)CC3)[nH]c12 ZINC000166140529 562850345 /nfs/dbraw/zinc/85/03/45/562850345.db2.gz PRLHLHFGJPNQPC-UHFFFAOYSA-N 1 1 552.565 3.899 1 0 KHAFMO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)[nH]n2)c1 ZINC000166973797 562850568 /nfs/dbraw/zinc/85/05/68/562850568.db2.gz SHHVFBHRTMUGBM-ZBLYBZFDSA-N 1 1 500.607 3.537 1 0 KHAFMO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@@H](O)c2cc(C3CC3)[nH]n2)c1 ZINC000166973909 562850536 /nfs/dbraw/zinc/85/05/36/562850536.db2.gz SHHVFBHRTMUGBM-IDISGSTGSA-N 1 1 500.607 3.537 1 0 KHAFMO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)[nH]n2)c1 ZINC000166974015 562850538 /nfs/dbraw/zinc/85/05/38/562850538.db2.gz SHHVFBHRTMUGBM-JIPXPUAJSA-N 1 1 500.607 3.537 1 0 KHAFMO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N[C@H](O)c2cc(C3CC3)[nH]n2)c1 ZINC000166974132 562850580 /nfs/dbraw/zinc/85/05/80/562850580.db2.gz SHHVFBHRTMUGBM-KDYSTLNUSA-N 1 1 500.607 3.537 1 0 KHAFMO CCN(CC)CC[NH2+]Cc1cc(C(N)=O)c2ncnc(NCc3cccc(N[C@@H](O)c4ccc(OC)cc4)c3)c2c1 ZINC000167007753 562850547 /nfs/dbraw/zinc/85/05/47/562850547.db2.gz JLOVLGWBSKSKJB-HKBQPEDESA-N 1 1 557.699 3.884 1 0 KHAFMO CCN(CC)CC[NH2+]Cc1cc(C(N)=O)c2ncnc(NCc3cccc(N[C@H](O)c4ccc(OC)cc4)c3)c2c1 ZINC000167007862 562850586 /nfs/dbraw/zinc/85/05/86/562850586.db2.gz JLOVLGWBSKSKJB-WJOKGBTCSA-N 1 1 557.699 3.884 1 0 KHAFMO O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1)c1cccc(-c2cn[nH]c2)c1 ZINC000167970582 562851172 /nfs/dbraw/zinc/85/11/72/562851172.db2.gz AHAQPMBQNFSCPB-DEOSSOPVSA-N 1 1 542.665 3.905 1 0 KHAFMO O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1)c1ccc(-n2ccnc2)cc1 ZINC000167970930 562851142 /nfs/dbraw/zinc/85/11/42/562851142.db2.gz LPOKZDWQJQMKMY-DEOSSOPVSA-N 1 1 542.665 3.701 1 0 KHAFMO C[N@H+]1CCCN(CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168410144 562851377 /nfs/dbraw/zinc/85/13/77/562851377.db2.gz YVKHGTZYCVGOAW-UEQSERJNSA-N 1 1 529.523 3.750 1 0 KHAFMO C[N@@H+]1CCCN(CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168410144 562851376 /nfs/dbraw/zinc/85/13/76/562851376.db2.gz YVKHGTZYCVGOAW-UEQSERJNSA-N 1 1 529.523 3.750 1 0 KHAFMO CN1CCC[N@@H+](CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168410144 562851375 /nfs/dbraw/zinc/85/13/75/562851375.db2.gz YVKHGTZYCVGOAW-UEQSERJNSA-N 1 1 529.523 3.750 1 0 KHAFMO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168435226 562851421 /nfs/dbraw/zinc/85/14/21/562851421.db2.gz QKQZSPOQOGAQBO-UEQSERJNSA-N 1 1 529.523 3.750 1 0 KHAFMO CCC[N@@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 ZINC000169292216 562852000 /nfs/dbraw/zinc/85/20/00/562852000.db2.gz INPOAGGWPPCRMS-ZEQRLZLVSA-N 1 1 594.704 3.667 1 0 KHAFMO CCCC[N@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293714 562852138 /nfs/dbraw/zinc/85/21/38/562852138.db2.gz ZLCNHSCBXLSFMN-ZEQRLZLVSA-N 1 1 551.679 3.888 1 0 KHAFMO CCCC[N@@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293714 562852137 /nfs/dbraw/zinc/85/21/37/562852137.db2.gz ZLCNHSCBXLSFMN-ZEQRLZLVSA-N 1 1 551.679 3.888 1 0 KHAFMO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293936 562852175 /nfs/dbraw/zinc/85/21/75/562852175.db2.gz QZCYTJDXBIPSQP-PKTZIBPZSA-N 1 1 565.662 3.529 1 0 KHAFMO CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169293937 562852170 /nfs/dbraw/zinc/85/21/70/562852170.db2.gz QZCYTJDXBIPSQP-GOTSBHOMSA-N 1 1 565.662 3.529 1 0 KHAFMO CN1CC[NH+](CCCN2N=C3/C(=C/c4ccc([S@](C)=O)cc4)CSC[C@@H]3[C@@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000169306279 562853545 /nfs/dbraw/zinc/85/35/45/562853545.db2.gz VQRAMUPQOFYBNQ-PYDLJFPISA-N 1 1 570.850 3.958 1 0 KHAFMO CSc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1 ZINC000169310370 562854794 /nfs/dbraw/zinc/85/47/94/562854794.db2.gz LOTKGAXKIJSRRT-SANMLTNESA-N 1 1 500.668 3.783 1 0 KHAFMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000169310395 562854746 /nfs/dbraw/zinc/85/47/46/562854746.db2.gz BIKGVNSHHBUWKV-KAYWLYCHSA-N 1 1 543.689 3.896 1 0 KHAFMO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000169310395 562854745 /nfs/dbraw/zinc/85/47/45/562854745.db2.gz BIKGVNSHHBUWKV-KAYWLYCHSA-N 1 1 543.689 3.896 1 0 KHAFMO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000169311421 562855140 /nfs/dbraw/zinc/85/51/40/562855140.db2.gz PNMRMEXSPUOBKG-OAQYLSRUSA-N 1 1 507.635 3.956 1 0 KHAFMO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000169311423 562855163 /nfs/dbraw/zinc/85/51/63/562855163.db2.gz PNMRMEXSPUOBKG-NRFANRHFSA-N 1 1 507.635 3.956 1 0 KHAFMO CC(C)c1cc(-n2nnc(C(=O)NC3CCCC3)c2-c2ccc(C[NH+]3CCOCC3)cc2)c(O)cc1O ZINC000169313095 562855550 /nfs/dbraw/zinc/85/55/50/562855550.db2.gz NCZKFFVXUCMMPH-UHFFFAOYSA-N 1 1 505.619 3.974 1 0 KHAFMO CN1CC[NH+](C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(Cl)c4)cn32)C2CCCCC2)CC1 ZINC000169325499 562857612 /nfs/dbraw/zinc/85/76/12/562857612.db2.gz UKZRGBUTBINTPD-LOSJGSFVSA-N 1 1 512.098 3.796 1 0 KHAFMO CN1CC[NH+](C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(-c4cc(Cl)ccc4F)cn32)C2CCCCC2)CC1 ZINC000169325504 562857632 /nfs/dbraw/zinc/85/76/32/562857632.db2.gz ZDZIFKRLEZXCII-WIOPSUGQSA-N 1 1 530.088 3.935 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169329327 562858481 /nfs/dbraw/zinc/85/84/81/562858481.db2.gz JBNBAFROSOFGEI-URXFXBBRSA-N 1 1 514.630 3.852 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169329328 562858530 /nfs/dbraw/zinc/85/85/30/562858530.db2.gz JBNBAFROSOFGEI-XUZZJYLKSA-N 1 1 514.630 3.852 1 0 KHAFMO COC[C@H](C)[N@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329335 562858515 /nfs/dbraw/zinc/85/85/15/562858515.db2.gz GUKFCDIGTOYSAN-FPOVZHCZSA-N 1 1 502.619 3.708 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](Cc5cnco5)C4)c(=O)c3n2)c1 ZINC000169329338 562858525 /nfs/dbraw/zinc/85/85/25/562858525.db2.gz GXRRVVOITAQZHR-FQEVSTJZSA-N 1 1 511.586 3.861 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](Cc5cnco5)C4)c(=O)c3n2)c1 ZINC000169329338 562858524 /nfs/dbraw/zinc/85/85/24/562858524.db2.gz GXRRVVOITAQZHR-FQEVSTJZSA-N 1 1 511.586 3.861 1 0 KHAFMO CS(=O)(=O)N1CC[NH+](CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000169330004 562858637 /nfs/dbraw/zinc/85/86/37/562858637.db2.gz ITHPASXKPAWQHC-UHFFFAOYSA-N 1 1 503.709 3.968 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@@H]5CCOC5)C4)c(=O)c3n2)c1 ZINC000169331011 562858857 /nfs/dbraw/zinc/85/88/57/562858857.db2.gz JLABJTKEDUXGHN-VXKWHMMOSA-N 1 1 514.630 3.710 1 0 KHAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@H]5CCOC5)C4)c(=O)c3n2)c1 ZINC000169331013 562858809 /nfs/dbraw/zinc/85/88/09/562858809.db2.gz JLABJTKEDUXGHN-FCHUYYIVSA-N 1 1 514.630 3.710 1 0 KHAFMO COc1ccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)cc1 ZINC000169331023 562858849 /nfs/dbraw/zinc/85/88/49/562858849.db2.gz MZKMVRKRCTUJCP-XUZZJYLKSA-N 1 1 514.630 3.852 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332595 562859210 /nfs/dbraw/zinc/85/92/10/562859210.db2.gz KSHVXDGRNDIMQZ-XLJZPPJSSA-N 1 1 640.730 3.863 1 0 KHAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332600 562859189 /nfs/dbraw/zinc/85/91/89/562859189.db2.gz KSHVXDGRNDIMQZ-VMLDJSQFSA-N 1 1 640.730 3.863 1 0 KHAFMO CC(C)C[N@H+]1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@@H]36)[C@H]1C5 ZINC000169341279 562860818 /nfs/dbraw/zinc/86/08/18/562860818.db2.gz UPAZZKNYLSZQFB-HJGLZJKISA-N 1 1 502.611 3.569 1 0 KHAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1ccc(-c3cn(CCOCCF)nn3)cc1)CC2 ZINC000169341787 562860913 /nfs/dbraw/zinc/86/09/13/562860913.db2.gz XQZMOJVLPUOEAY-UHFFFAOYSA-N 1 1 525.625 3.517 1 0 KHAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1ccc(-c3cn(CCOCCOCCF)nn3)cc1)CC2 ZINC000169341788 562860874 /nfs/dbraw/zinc/86/08/74/562860874.db2.gz ZGQXKCHQZIRZCO-UHFFFAOYSA-N 1 1 569.678 3.533 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000169342996 562861107 /nfs/dbraw/zinc/86/11/07/562861107.db2.gz DBXBILMEEVCMPM-DNZIZEQUSA-N 1 1 544.700 3.724 1 0 KHAFMO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354199 562863636 /nfs/dbraw/zinc/86/36/36/562863636.db2.gz JANLTTGWVGUGII-LBNVMWSVSA-N 1 1 534.694 3.690 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000169357046 562863897 /nfs/dbraw/zinc/86/38/97/562863897.db2.gz YOGHHFIXJGCJIG-FTJBHMTQSA-N 1 1 562.692 3.501 1 0 KHAFMO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000169357046 562863896 /nfs/dbraw/zinc/86/38/96/562863896.db2.gz YOGHHFIXJGCJIG-FTJBHMTQSA-N 1 1 562.692 3.501 1 0 KHAFMO COc1ccc(CC[N@H+]2C[C@@H](CNC(=O)Cc3cccnc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000169357347 562863915 /nfs/dbraw/zinc/86/39/15/562863915.db2.gz XUIXVUXJOLQQHE-XNMGPUDCSA-N 1 1 502.659 3.782 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nncn43)CC2)C1 ZINC000169361054 562864185 /nfs/dbraw/zinc/86/41/85/562864185.db2.gz KXDBCLMIQPHIKC-DNZIZEQUSA-N 1 1 544.700 3.724 1 0 KHAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2ccc(Br)nc2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]21C ZINC000169362856 562864293 /nfs/dbraw/zinc/86/42/93/562864293.db2.gz PQXKFZUXCZESBK-KTSSEXHOSA-N 1 1 855.846 3.523 1 0 KHAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 ZINC000169368033 562864598 /nfs/dbraw/zinc/86/45/98/562864598.db2.gz ZRYOTPJBMKOUMB-KAMZKSLDSA-N 1 1 546.672 3.612 1 0 KHAFMO C[NH+](C)CC(=O)Nc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698332 562867162 /nfs/dbraw/zinc/86/71/62/562867162.db2.gz NHZOHTYPYZGDDI-UHFFFAOYSA-N 1 1 586.722 3.756 1 0 KHAFMO C[NH+](C)CC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698367 562867200 /nfs/dbraw/zinc/86/72/00/562867200.db2.gz YVZFLNZFALFTHC-UHFFFAOYSA-N 1 1 586.722 3.756 1 0 KHAFMO C[NH+](C)CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)s2)nn1 ZINC000169698391 562867205 /nfs/dbraw/zinc/86/72/05/562867205.db2.gz FMYDPFQBTCIOCZ-UHFFFAOYSA-N 1 1 582.731 3.600 1 0 KHAFMO C[NH+]1CCN(C(=O)c2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2)CC1 ZINC000169698404 562867217 /nfs/dbraw/zinc/86/72/17/562867217.db2.gz BRUXQOQOTDRIDS-UHFFFAOYSA-N 1 1 612.760 3.644 1 0 KHAFMO O=C(NCc1nn[nH]n1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700260 562867649 /nfs/dbraw/zinc/86/76/49/562867649.db2.gz YDDSTBSWKZWEBC-PIBDYAPNSA-N 1 1 544.418 3.610 1 0 KHAFMO Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000169700805 562867761 /nfs/dbraw/zinc/86/77/61/562867761.db2.gz VRLVRCNVLNMKSO-UHFFFAOYSA-N 1 1 501.595 3.761 1 0 KHAFMO Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000169700806 562867740 /nfs/dbraw/zinc/86/77/40/562867740.db2.gz YTPYSGUPKUWEQI-UHFFFAOYSA-N 1 1 514.638 3.507 1 0 KHAFMO COc1cc(C[N@H+]2CCCC23COC3)ccc1OC1CN(C(=O)c2nnc(-c3ccc(C(F)F)cc3)o2)C1 ZINC000169701437 562868032 /nfs/dbraw/zinc/86/80/32/562868032.db2.gz AOUVKOSBHGGHLV-UHFFFAOYSA-N 1 1 526.540 3.951 1 0 KHAFMO COc1cc(C[N@@H+]2CCCC23COC3)ccc1OC1CN(C(=O)c2nnc(-c3ccc(C(F)F)cc3)o2)C1 ZINC000169701437 562868031 /nfs/dbraw/zinc/86/80/31/562868031.db2.gz AOUVKOSBHGGHLV-UHFFFAOYSA-N 1 1 526.540 3.951 1 0 KHAFMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702436 562868361 /nfs/dbraw/zinc/86/83/61/562868361.db2.gz JCHTWNXVTQEIJH-UHFFFAOYSA-N 1 1 601.111 3.728 1 0 KHAFMO CC1(C)C[N@@H+](Cc2ccc3cc4c(cc3n2)C[C@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000169703593 562868855 /nfs/dbraw/zinc/86/88/55/562868855.db2.gz YSPLXBLCPIVGCZ-QVWWMRLHSA-N 1 1 517.633 3.940 1 0 KHAFMO CC1(C)C[N@H+](Cc2ccc3cc4c(cc3n2)C[C@]2(C4)c3cccnc3NC2=O)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000169703593 562868854 /nfs/dbraw/zinc/86/88/54/562868854.db2.gz YSPLXBLCPIVGCZ-QVWWMRLHSA-N 1 1 517.633 3.940 1 0 KHAFMO C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(CC[NH+]4CCOCC4)c3)nc2n1 ZINC000169704095 562868903 /nfs/dbraw/zinc/86/89/03/562868903.db2.gz IURZCUCAJQJUQB-OAQYLSRUSA-N 1 1 514.634 3.753 1 0 KHAFMO CC[N@@H+](CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706904 562869912 /nfs/dbraw/zinc/86/99/12/562869912.db2.gz LMQLCRSBIMGSIN-UHFFFAOYSA-N 1 1 501.639 3.911 1 0 KHAFMO CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2c[nH+]c(N)nc21 ZINC000169707815 562870139 /nfs/dbraw/zinc/87/01/39/562870139.db2.gz RAGPCYDATONJQW-UHFFFAOYSA-N 1 1 512.492 3.567 1 0 KHAFMO CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Br)cn3)c2)c2c[nH+]c(N)nc21 ZINC000169708038 562870198 /nfs/dbraw/zinc/87/01/98/562870198.db2.gz LPBYIOFEQPALRY-UHFFFAOYSA-N 1 1 508.380 3.733 1 0 KHAFMO Cc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711412 562870912 /nfs/dbraw/zinc/87/09/12/562870912.db2.gz REBAQHOYUXITBK-QFIPXVFZSA-N 1 1 526.431 3.733 1 0 KHAFMO Cc1cc(C[N@H+]2CCC[C@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711414 562870901 /nfs/dbraw/zinc/87/09/01/562870901.db2.gz NSBRFCWUQBBDNA-QFIPXVFZSA-N 1 1 526.431 3.733 1 0 KHAFMO CC[NH+]1CCN(Cc2ccc(C(=O)Cn3ccc(OCc4ccc(Br)cn4)cc3=O)c(C)c2)CC1 ZINC000169711418 562870895 /nfs/dbraw/zinc/87/08/95/562870895.db2.gz QYUDCPSTENHFQT-UHFFFAOYSA-N 1 1 539.474 3.914 1 0 KHAFMO Cc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711420 562870932 /nfs/dbraw/zinc/87/09/32/562870932.db2.gz REBAQHOYUXITBK-JOCHJYFZSA-N 1 1 526.431 3.733 1 0 KHAFMO Cc1cc(CN2CC[NH+](C)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711422 562870882 /nfs/dbraw/zinc/87/08/82/562870882.db2.gz IZWVFAAELZQFKW-UHFFFAOYSA-N 1 1 525.447 3.524 1 0 KHAFMO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711473 562870928 /nfs/dbraw/zinc/87/09/28/562870928.db2.gz PHXCTTREODBZTL-JOCHJYFZSA-N 1 1 541.446 3.518 1 0 KHAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CC[C@H](O)C5)cc4)c3)c(OC)cc21 ZINC000169711538 562871007 /nfs/dbraw/zinc/87/10/07/562871007.db2.gz OECTUYVQLQDUOQ-NRFANRHFSA-N 1 1 515.570 3.844 1 0 KHAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CC[C@@H](O)C5)cc4)c3)c(OC)cc21 ZINC000169711539 562870995 /nfs/dbraw/zinc/87/09/95/562870995.db2.gz OECTUYVQLQDUOQ-OAQYLSRUSA-N 1 1 515.570 3.844 1 0 KHAFMO COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000169713121 562871241 /nfs/dbraw/zinc/87/12/41/562871241.db2.gz IHXQKCRTBPLHBR-STVCLKQXSA-N 1 1 657.853 3.805 1 0 KHAFMO CC(C)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713123 562871254 /nfs/dbraw/zinc/87/12/54/562871254.db2.gz IEOVLRDXARFDHB-STVCLKQXSA-N 1 1 583.818 3.517 1 0 KHAFMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000195249453 562871573 /nfs/dbraw/zinc/87/15/73/562871573.db2.gz BIKGVNSHHBUWKV-SXOMAYOGSA-N 1 1 543.689 3.896 1 0 KHAFMO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1)c1cccc2ccccc21 ZINC000195249453 562871572 /nfs/dbraw/zinc/87/15/72/562871572.db2.gz BIKGVNSHHBUWKV-SXOMAYOGSA-N 1 1 543.689 3.896 1 0 KHAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)CSc1nnnn1-c1ccccc1)CC2 ZINC000195523266 562872176 /nfs/dbraw/zinc/87/21/76/562872176.db2.gz BZKSURTZAZDUCA-GJZUVCINSA-N 1 1 503.628 3.780 1 0 KHAFMO COc1cc(C(=O)NN2CC[NH+](C)CC2)ccc1Nc1ncc2nc(Nc3ccccc3)n(C(C)C)c2n1 ZINC000198982377 562872858 /nfs/dbraw/zinc/87/28/58/562872858.db2.gz RCODRVRIPGNRTG-UHFFFAOYSA-N 1 1 515.622 3.795 1 0 KHAFMO Cn1nc(-c2cccc(N3Cc4cc(C(C)(C)C)sc4C3=O)c2CO)cc(Nc2cc3n(n2)CC[N@@H+](C)C3)c1=O ZINC000199976038 562873230 /nfs/dbraw/zinc/87/32/30/562873230.db2.gz VZDDUZAFBGBYFG-UHFFFAOYSA-N 1 1 559.696 3.845 1 0 KHAFMO C[N@H+]1CCn2nc(Nc3cc(-c4cccc(N5Cc6cc(C(C)(C)C)sc6C5=O)c4CO)n[nH]c3=O)cc2C1 ZINC000199977402 562873213 /nfs/dbraw/zinc/87/32/13/562873213.db2.gz PBIGUDXXZKZSMW-UHFFFAOYSA-N 1 1 545.669 3.834 1 0 KHAFMO COc1cc(C2=C(c3cn(CCCOC(=O)[C@@H]([NH3+])CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000200626382 562873402 /nfs/dbraw/zinc/87/34/02/562873402.db2.gz MHEYLSXQBQEYPZ-NRFANRHFSA-N 1 1 549.624 3.541 1 0 KHAFMO COc1cc(C2=C(c3cn(CCCOC(=O)[C@H]([NH3+])CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000200626414 562873372 /nfs/dbraw/zinc/87/33/72/562873372.db2.gz MHEYLSXQBQEYPZ-OAQYLSRUSA-N 1 1 549.624 3.541 1 0 KHAFMO COCC[N@@H+](C)Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000200836249 562873448 /nfs/dbraw/zinc/87/34/48/562873448.db2.gz UYAYIVOZPIHPHB-JPYJTQIMSA-N 1 1 577.032 3.700 1 0 KHAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1 ZINC000201634070 562873571 /nfs/dbraw/zinc/87/35/71/562873571.db2.gz ACIBTFUWZHGTPF-UHFFFAOYSA-N 1 1 512.580 3.799 1 0 KHAFMO CCCC(=O)c1cnn(-c2cnc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(Cl)cc34)cn2)c1C ZINC000203553357 562873956 /nfs/dbraw/zinc/87/39/56/562873956.db2.gz CPGFYWIDGQNGRU-UHFFFAOYSA-N 1 1 563.062 3.588 1 0 KHAFMO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@H+](CCc5ccccc5)C4)cc32)ccn1 ZINC000205008568 562874690 /nfs/dbraw/zinc/87/46/90/562874690.db2.gz HSXXMGFMZXIZII-SQHAQQRYSA-N 1 1 510.642 3.827 1 0 KHAFMO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)[N@@H+](CCc5ccccc5)C4)cc32)ccn1 ZINC000205008568 562874689 /nfs/dbraw/zinc/87/46/89/562874689.db2.gz HSXXMGFMZXIZII-SQHAQQRYSA-N 1 1 510.642 3.827 1 0 KHAFMO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@@H]4[C@@H]4CCCC[N@@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000205114479 562874990 /nfs/dbraw/zinc/87/49/90/562874990.db2.gz BTRBVLVZBYMHDD-VQTJNVASSA-N 1 1 516.572 3.920 1 0 KHAFMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1 ZINC000205340483 562875115 /nfs/dbraw/zinc/87/51/15/562875115.db2.gz GHYXABXKGBNWLA-UHFFFAOYSA-N 1 1 517.674 3.956 1 0 KHAFMO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[N@@H+](C)[C@@H](C)C4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205347266 562875182 /nfs/dbraw/zinc/87/51/82/562875182.db2.gz VIKYVWOFKQNEHB-SFHVURJKSA-N 1 1 515.618 3.939 1 0 KHAFMO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[N@@H+](C)[C@H](C)C4)cc3)c(C(N)=O)nc2CC)c1 ZINC000205347284 562875190 /nfs/dbraw/zinc/87/51/90/562875190.db2.gz VIKYVWOFKQNEHB-GOSISDBHSA-N 1 1 515.618 3.939 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[N@@H+](C)C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000205541973 562875565 /nfs/dbraw/zinc/87/55/65/562875565.db2.gz NTRHKDRQXZZCSB-HHHXNRCGSA-N 1 1 518.622 3.808 1 0 KHAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[N@@H+](C)C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000205541986 562875553 /nfs/dbraw/zinc/87/55/53/562875553.db2.gz NTRHKDRQXZZCSB-MHZLTWQESA-N 1 1 518.622 3.808 1 0 KHAFMO CN(CCC[NH+]1CCOCC1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000205651271 562875604 /nfs/dbraw/zinc/87/56/04/562875604.db2.gz GVJONRRBRZSQFA-UHFFFAOYSA-N 1 1 509.014 3.550 1 0 KHAFMO COC1C[NH+](C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)CC2)C1 ZINC000205652303 562875593 /nfs/dbraw/zinc/87/55/93/562875593.db2.gz ZWHWRDRSSYCYGA-UHFFFAOYSA-N 1 1 521.025 3.691 1 0 KHAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(CC[NH+]4CCOCC4)c3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1 ZINC000205715425 562875774 /nfs/dbraw/zinc/87/57/74/562875774.db2.gz JJISACLGBRFIFQ-UHFFFAOYSA-N 1 1 546.716 3.805 1 0 KHAFMO COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)N3CC[NH+](C)CC3)c2C)c(F)c1 ZINC000205833776 562875993 /nfs/dbraw/zinc/87/59/93/562875993.db2.gz JPVDLJBFYICXBH-JCMHNJIXSA-N 1 1 574.613 3.621 1 0 KHAFMO COc1ccc2ncc(F)c(CCC34CCC([N@@H+](C)Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000206093297 562876200 /nfs/dbraw/zinc/87/62/00/562876200.db2.gz OMACOKVQYCDGSH-UHFFFAOYSA-N 1 1 507.566 3.650 1 0 KHAFMO CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(Cl)cc34)CC2)c1C ZINC000209145230 562876827 /nfs/dbraw/zinc/87/68/27/562876827.db2.gz CYMPIFSEGHZYOW-UHFFFAOYSA-N 1 1 568.122 3.538 1 0 KHAFMO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCC[NH+]1CCOCC1)c2=O ZINC000209543005 562876930 /nfs/dbraw/zinc/87/69/30/562876930.db2.gz SXYJYHBNZJCBQC-UHFFFAOYSA-N 1 1 529.586 3.994 1 0 KHAFMO COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCC[NH+]1CCN(C)CC1)c2=O ZINC000209543050 562876905 /nfs/dbraw/zinc/87/69/05/562876905.db2.gz QTLUKERMKMROBB-UHFFFAOYSA-N 1 1 542.629 3.909 1 0 KHAFMO Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+]3CCOCC3)CC4)c2)c1-c1ccccc1 ZINC000220407247 562878424 /nfs/dbraw/zinc/87/84/24/562878424.db2.gz CZIZIHYOQJSLMR-UKILVPOCSA-N 1 1 666.768 3.775 1 0 KHAFMO CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000220556107 562878606 /nfs/dbraw/zinc/87/86/06/562878606.db2.gz DDGBYNUMMVPZEO-QZJLZKDQSA-N 1 1 536.694 3.595 1 0 KHAFMO CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000220557702 562878630 /nfs/dbraw/zinc/87/86/30/562878630.db2.gz JUZAVNBDIYYESB-RRRALXMPSA-N 1 1 550.721 3.904 1 0 KHAFMO COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCC(=O)N3CC[NH+](C)CC3)c2C)c(F)c1 ZINC000221487915 562879029 /nfs/dbraw/zinc/87/90/29/562879029.db2.gz ATZVMUKUKXZZAJ-UQQQWYQISA-N 1 1 602.667 3.940 1 0 KHAFMO CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000222891624 562879963 /nfs/dbraw/zinc/87/99/63/562879963.db2.gz NMYROWPRLMBSAZ-UHFFFAOYSA-N 1 1 525.657 3.843 1 0 KHAFMO CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000222891624 562879962 /nfs/dbraw/zinc/87/99/62/562879962.db2.gz NMYROWPRLMBSAZ-UHFFFAOYSA-N 1 1 525.657 3.843 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223009214 562880036 /nfs/dbraw/zinc/88/00/36/562880036.db2.gz UJYWAKUSEQRDHA-GOTSBHOMSA-N 1 1 533.746 3.522 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223009414 562880041 /nfs/dbraw/zinc/88/00/41/562880041.db2.gz VMROUOREXJMAKQ-ZEQRLZLVSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223012708 562880047 /nfs/dbraw/zinc/88/00/47/562880047.db2.gz BXQIJEWXGSNMPH-LADGPHEKSA-N 1 1 533.746 3.665 1 0 KHAFMO CC(=O)N[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000223018322 562880058 /nfs/dbraw/zinc/88/00/58/562880058.db2.gz ZUMVEPKZDXTGAW-JWQCQUIFSA-N 1 1 547.773 3.925 1 0 KHAFMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@@H](C)c1ccc2c(c1)CCO2 ZINC000224854900 562880597 /nfs/dbraw/zinc/88/05/97/562880597.db2.gz POJNHJSABWJBQE-KSNOWIBYSA-N 1 1 550.652 3.920 1 0 KHAFMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@H](C)c1ccc2c(c1)CCO2 ZINC000224854945 562880572 /nfs/dbraw/zinc/88/05/72/562880572.db2.gz POJNHJSABWJBQE-DCEDVJGZSA-N 1 1 550.652 3.920 1 0 KHAFMO CCOC(=O)[C@H]1C[C@H]1C[N@@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@@H](C)c1ccc2c(c1)CCO2 ZINC000224867994 562880622 /nfs/dbraw/zinc/88/06/22/562880622.db2.gz POJNHJSABWJBQE-OPXMRZJTSA-N 1 1 550.652 3.920 1 0 KHAFMO CCOC(=O)[C@H]1C[C@H]1C[N@@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@H](C)c1ccc2c(c1)CCO2 ZINC000224868040 562880602 /nfs/dbraw/zinc/88/06/02/562880602.db2.gz POJNHJSABWJBQE-YNJKOYDBSA-N 1 1 550.652 3.920 1 0 KHAFMO Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c([C@]2(CF)NC(=[NH2+])O[C@H]3C[C@H]32)c1 ZINC000226074380 562880898 /nfs/dbraw/zinc/88/08/98/562880898.db2.gz UZKQOQQRJKLGGG-KPGGICDASA-N 1 1 505.831 3.669 1 0 KHAFMO Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c([C@@]2(CF)NC(=[NH2+])O[C@@H]3C[C@@H]32)c1 ZINC000226076395 562880902 /nfs/dbraw/zinc/88/09/02/562880902.db2.gz UZKQOQQRJKLGGG-VARDARPISA-N 1 1 505.831 3.669 1 0 KHAFMO CN1CC[NH+](CCCN2N=C3/C(=C/c4ccc([S@](C)=O)cc4)CSC[C@@H]3[C@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000253636014 562882289 /nfs/dbraw/zinc/88/22/89/562882289.db2.gz VQRAMUPQOFYBNQ-RHRXOEDVSA-N 1 1 570.850 3.958 1 0 KHAFMO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2(N)CCc3ccccc32)CC1 ZINC000253638445 562882460 /nfs/dbraw/zinc/88/24/60/562882460.db2.gz QTUAHMLSKYOMMA-VFEUQPSHSA-N 1 1 629.249 3.919 1 0 KHAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)[NH+](C)C)C1=S ZINC000299824006 562883139 /nfs/dbraw/zinc/88/31/39/562883139.db2.gz ADAXCPMJPLKMTK-DTXPUJKBSA-N 1 1 610.938 3.915 1 0 KHAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(CN5CC[NH+](C)CC5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000299825347 562883531 /nfs/dbraw/zinc/88/35/31/562883531.db2.gz CGCWARZMZAGVSN-QIXIFPRPSA-N 1 1 605.688 3.547 1 0 KHAFMO CCCCNc1nc2c(c[nH+]1)c(-c1ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c1)cn2[C@H]1CC[C@H](O)CC1 ZINC000299826447 562883859 /nfs/dbraw/zinc/88/38/59/562883859.db2.gz DCFNMFYAKVXCLN-MEMLXQNLSA-N 1 1 544.697 3.862 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2)[C@H]2CCC[C@@H]([N@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299827671 562884167 /nfs/dbraw/zinc/88/41/67/562884167.db2.gz GYDBFCZWDBDGQW-FKIWKMFDSA-N 1 1 516.469 3.877 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2)[C@H]2CCC[C@@H]([N@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299827673 562884193 /nfs/dbraw/zinc/88/41/93/562884193.db2.gz GYDBFCZWDBDGQW-KNHRBOEJSA-N 1 1 516.469 3.877 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2)[C@@H]2CCC[C@@H]([N@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299827676 562884206 /nfs/dbraw/zinc/88/42/06/562884206.db2.gz GYDBFCZWDBDGQW-SMNGAYPVSA-N 1 1 516.469 3.877 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccccc2)[C@@H]2CCC[C@@H]([N@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299827679 562884164 /nfs/dbraw/zinc/88/41/64/562884164.db2.gz GYDBFCZWDBDGQW-UCRVAIAZSA-N 1 1 516.469 3.877 1 0 KHAFMO C[NH+](C)Cc1cccc2nc(C(=O)NCCCCN3CCN(c4cc(C(F)(F)F)nc(C(C)(C)C)n4)CC3)cn21 ZINC000299828521 562884534 /nfs/dbraw/zinc/88/45/34/562884534.db2.gz JUJJUAKPUFHLKF-UHFFFAOYSA-N 1 1 560.669 3.834 1 0 KHAFMO CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5 ZINC000299828856 562884623 /nfs/dbraw/zinc/88/46/23/562884623.db2.gz HKWYAXWRNXVBPN-VWKWMHJASA-N 1 1 556.659 3.752 1 0 KHAFMO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CC[N@@H+](CCN2CCOCC2)CC3)ncc1Cl ZINC000299829226 562884794 /nfs/dbraw/zinc/88/47/94/562884794.db2.gz ZPOFMDMSFJYINK-UHFFFAOYSA-N 1 1 592.191 3.989 1 0 KHAFMO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CC[N@H+](CCN2CCOCC2)CC3)ncc1Cl ZINC000299829226 562884793 /nfs/dbraw/zinc/88/47/93/562884793.db2.gz ZPOFMDMSFJYINK-UHFFFAOYSA-N 1 1 592.191 3.989 1 0 KHAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1cc2ccccc2s1 ZINC000299829694 562884976 /nfs/dbraw/zinc/88/49/76/562884976.db2.gz RMBOAPKGNMIISA-CBSYONAGSA-N 1 1 502.636 3.970 1 0 KHAFMO CN1CCN(S(=O)(=O)c2ccc(-c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)[nH+]cc34)c(F)c2)CC1 ZINC000299829792 562885019 /nfs/dbraw/zinc/88/50/19/562885019.db2.gz LFOWPAZJQIZNHI-MEMLXQNLSA-N 1 1 556.708 3.862 1 0 KHAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1cc2cc(Cl)ccc2[nH]1 ZINC000299830449 562885263 /nfs/dbraw/zinc/88/52/63/562885263.db2.gz VLUHOAIBIHPGER-XSGLBDKUSA-N 1 1 520.029 3.890 1 0 KHAFMO CCCCNc1nc2c(c[nH+]1)c(-c1ccc(S(=O)(=O)N3CCOCC3)cc1)cn2[C@H]1CC[C@H](O)CC1 ZINC000299830995 562885428 /nfs/dbraw/zinc/88/54/28/562885428.db2.gz NDWOEUVAOGUXGP-MEMLXQNLSA-N 1 1 513.664 3.807 1 0 KHAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(Cl)cc34)c(C(N)=O)c2)c1C ZINC000299831044 562885417 /nfs/dbraw/zinc/88/54/17/562885417.db2.gz NGVGPDQUAMGXTG-UHFFFAOYSA-N 1 1 604.111 3.897 1 0 KHAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CC[N@@H+](C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S ZINC000299832624 562885858 /nfs/dbraw/zinc/88/58/58/562885858.db2.gz QEFCVWSEUQCQRR-DTXPUJKBSA-N 1 1 610.938 3.915 1 0 KHAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CC[N@H+](C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S ZINC000299832624 562885857 /nfs/dbraw/zinc/88/58/57/562885857.db2.gz QEFCVWSEUQCQRR-DTXPUJKBSA-N 1 1 610.938 3.915 1 0 KHAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@@H+](C)CCN(C)CCN1C[C@H](Cc2ccc(O)cc2)N(C)C1=S ZINC000299832624 562885856 /nfs/dbraw/zinc/88/58/56/562885856.db2.gz QEFCVWSEUQCQRR-DTXPUJKBSA-N 1 1 610.938 3.915 1 0 KHAFMO COc1ccc(-c2c(CN3CCOCC3)n3nc(-c4ccccc4)c(C[NH+]4CCOCC4)c3n2C)cc1 ZINC000299832753 562885926 /nfs/dbraw/zinc/88/59/26/562885926.db2.gz SSCAEPWQNZBEJQ-UHFFFAOYSA-N 1 1 501.631 3.680 1 0 KHAFMO CN(C)Cc1c(C(=O)NCCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)nc2ccccn21 ZINC000299833784 562886257 /nfs/dbraw/zinc/88/62/57/562886257.db2.gz WMXFRQFMQHQCBJ-UHFFFAOYSA-N 1 1 560.669 3.834 1 0 KHAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3cccnc3)nn1)CC2 ZINC000299837028 562887358 /nfs/dbraw/zinc/88/73/58/562887358.db2.gz OCZHGNCLZXTBRC-UHFFFAOYSA-N 1 1 514.586 3.580 1 0 KHAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3cccnc3)nn1)CC2 ZINC000299837028 562887357 /nfs/dbraw/zinc/88/73/57/562887357.db2.gz OCZHGNCLZXTBRC-UHFFFAOYSA-N 1 1 514.586 3.580 1 0 KHAFMO CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCN2CC[NH+](C)CC2)cc1Cl ZINC000299838319 562887756 /nfs/dbraw/zinc/88/77/56/562887756.db2.gz QCMWJZZSCGOICB-UHFFFAOYSA-N 1 1 502.512 3.739 1 0 KHAFMO OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@H+]1CCCCCOCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000299838426 562887824 /nfs/dbraw/zinc/88/78/24/562887824.db2.gz QNRQAUQEJQHXSC-UEQSERJNSA-N 1 1 551.524 3.837 1 0 KHAFMO O=C1CCC2=C([C@@H]3Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]53[C@@]4(O)C2)N1Cc1cccc(F)c1 ZINC000299840050 562888398 /nfs/dbraw/zinc/88/83/98/562888398.db2.gz VETVECCUOSDWHF-UJLGHMMASA-N 1 1 502.586 3.782 1 0 KHAFMO COc1cc(-c2cc(COCc3cn(Cc4cc(C)c[nH+]c4N4CCSCC4)nn3)on2)cc(OC)c1OC ZINC000299854775 562891453 /nfs/dbraw/zinc/89/14/53/562891453.db2.gz BOEPBZOUMNMGOY-UHFFFAOYSA-N 1 1 552.657 3.981 1 0 KHAFMO CCC[N@@H+](CCCCCCNc1nc2nc(-c3ccco3)nn2c(N)n1)CCc1cccc2c1CC(=O)N2 ZINC000299855953 562891785 /nfs/dbraw/zinc/89/17/85/562891785.db2.gz BICAEYYDSQRCOQ-UHFFFAOYSA-N 1 1 517.638 3.783 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857108 562892086 /nfs/dbraw/zinc/89/20/86/562892086.db2.gz CMQPBJQRYACTFV-CPCREDONSA-N 1 1 822.852 3.509 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857109 562892071 /nfs/dbraw/zinc/89/20/71/562892071.db2.gz CMQPBJQRYACTFV-DCMFLLSESA-N 1 1 822.852 3.509 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857110 562892075 /nfs/dbraw/zinc/89/20/75/562892075.db2.gz CMQPBJQRYACTFV-OWHBQTKESA-N 1 1 822.852 3.509 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299857111 562892093 /nfs/dbraw/zinc/89/20/93/562892093.db2.gz CMQPBJQRYACTFV-QAXCHELISA-N 1 1 822.852 3.509 1 0 KHAFMO C[NH+]1CCN(CCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299857179 562892125 /nfs/dbraw/zinc/89/21/25/562892125.db2.gz DUBMUGYFNOQVHS-UHFFFAOYSA-N 1 1 518.593 3.561 1 0 KHAFMO CCNC(=O)Oc1c2c(ccc1OC)[C@@H]([C@H]1c3c(c(Br)c4c(c3OC)OCO4)CC[N@@H+]1C)OC2=O ZINC000299861532 562893350 /nfs/dbraw/zinc/89/33/50/562893350.db2.gz IJVMNXMSOYVXLP-MSOLQXFVSA-N 1 1 549.374 3.744 1 0 KHAFMO CCNC(=O)Oc1c2c(ccc1OC)[C@@H]([C@H]1c3c(c(Br)c4c(c3OC)OCO4)CC[N@H+]1C)OC2=O ZINC000299861532 562893349 /nfs/dbraw/zinc/89/33/49/562893349.db2.gz IJVMNXMSOYVXLP-MSOLQXFVSA-N 1 1 549.374 3.744 1 0 KHAFMO COc1ccc2c(c1OC(C)=O)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000299861901 562893444 /nfs/dbraw/zinc/89/34/44/562893444.db2.gz IUUQXNZRZOVGAH-MSOLQXFVSA-N 1 1 520.332 3.561 1 0 KHAFMO COc1ccc2c(c1OC(C)=O)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000299861901 562893443 /nfs/dbraw/zinc/89/34/43/562893443.db2.gz IUUQXNZRZOVGAH-MSOLQXFVSA-N 1 1 520.332 3.561 1 0 KHAFMO CN1CC[NH+](CCCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1 ZINC000299862232 562893552 /nfs/dbraw/zinc/89/35/52/562893552.db2.gz MRINBWRXPPYLKC-UHFFFAOYSA-N 1 1 553.642 3.848 1 0 KHAFMO CC(C)C[C@H](NC(=O)CN1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000299862625 562893648 /nfs/dbraw/zinc/89/36/48/562893648.db2.gz JYQNJBYCZVIZPS-AKQLPAHTSA-N 1 1 747.957 3.714 1 0 KHAFMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1 ZINC000299866759 562894753 /nfs/dbraw/zinc/89/47/53/562894753.db2.gz WROHCHCGJIWAPG-UHFFFAOYSA-N 1 1 503.647 3.831 1 0 KHAFMO COc1cc2c(cc1OC)C[N@@H+](CCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299867050 562894772 /nfs/dbraw/zinc/89/47/72/562894772.db2.gz PSLDQXGRCCSOAZ-UHFFFAOYSA-N 1 1 531.657 3.922 1 0 KHAFMO Cc1cc(C)c(Oc2cc(NC3CC[NH+](Cc4ccc(S(N)(=O)=O)cc4)CC3)nc3ncnn32)c(C)c1 ZINC000299871568 562895771 /nfs/dbraw/zinc/89/57/71/562895771.db2.gz YQZDNSMFJKGTQP-UHFFFAOYSA-N 1 1 521.647 3.566 1 0 KHAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000299872071 562895845 /nfs/dbraw/zinc/89/58/45/562895845.db2.gz ZVPJBYZIHCWVQP-DSPMFFIESA-N 1 1 834.863 3.783 1 0 KHAFMO CNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086240 562897039 /nfs/dbraw/zinc/89/70/39/562897039.db2.gz BDGYHKVKIWEADI-RUZDIDTESA-N 1 1 502.615 3.913 1 0 KHAFMO CNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086240 562897038 /nfs/dbraw/zinc/89/70/38/562897038.db2.gz BDGYHKVKIWEADI-RUZDIDTESA-N 1 1 502.615 3.913 1 0 KHAFMO CNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086246 562897052 /nfs/dbraw/zinc/89/70/52/562897052.db2.gz BDGYHKVKIWEADI-VWLOTQADSA-N 1 1 502.615 3.913 1 0 KHAFMO CNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086246 562897051 /nfs/dbraw/zinc/89/70/51/562897051.db2.gz BDGYHKVKIWEADI-VWLOTQADSA-N 1 1 502.615 3.913 1 0 KHAFMO COc1ccc(C[C@@H]2c3ccc(NCC(=O)N(C)C)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087279 562897139 /nfs/dbraw/zinc/89/71/39/562897139.db2.gz DYFHIJJRESTCTA-HHHXNRCGSA-N 1 1 530.669 3.662 1 0 KHAFMO COc1ccc(C[C@H]2c3ccc(NCC(=O)N(C)C)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087282 562897147 /nfs/dbraw/zinc/89/71/47/562897147.db2.gz DYFHIJJRESTCTA-MHZLTWQESA-N 1 1 530.669 3.662 1 0 KHAFMO COc1ccc(C[C@@H]2c3ccc(NS(C)(=O)=O)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087982 562897253 /nfs/dbraw/zinc/89/72/53/562897253.db2.gz HARZAIBRXQKHTG-RUZDIDTESA-N 1 1 523.655 3.534 1 0 KHAFMO COc1ccc(C[C@@H]2c3ccc(NS(C)(=O)=O)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087982 562897252 /nfs/dbraw/zinc/89/72/52/562897252.db2.gz HARZAIBRXQKHTG-RUZDIDTESA-N 1 1 523.655 3.534 1 0 KHAFMO COc1ccc(C[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087983 562897270 /nfs/dbraw/zinc/89/72/70/562897270.db2.gz HARZAIBRXQKHTG-VWLOTQADSA-N 1 1 523.655 3.534 1 0 KHAFMO COc1ccc(C[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473087983 562897269 /nfs/dbraw/zinc/89/72/69/562897269.db2.gz HARZAIBRXQKHTG-VWLOTQADSA-N 1 1 523.655 3.534 1 0 KHAFMO O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)NCc1cn(CNc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000473093420 562897761 /nfs/dbraw/zinc/89/77/61/562897761.db2.gz TXEPSMMWUHRBQC-SXOMAYOGSA-N 1 1 556.026 3.698 1 0 KHAFMO O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)NCc1cn(CCNc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000473094036 562897844 /nfs/dbraw/zinc/89/78/44/562897844.db2.gz VFPBZIXQNVBJSX-IZLXSDGUSA-N 1 1 570.053 3.740 1 0 KHAFMO C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(F)c(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000473104273 562898143 /nfs/dbraw/zinc/89/81/43/562898143.db2.gz OZMMFWTZPJXEKB-UHFFFAOYSA-N 1 1 526.016 3.932 1 0 KHAFMO COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)/C=C/C[NH+](C)C)c2)n1 ZINC000473109531 562898501 /nfs/dbraw/zinc/89/85/01/562898501.db2.gz SRDPPOYUPKTOFB-RMKNXTFCSA-N 1 1 565.122 3.724 1 0 KHAFMO C=CC(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccc(Br)cc43)cc(N3CC[NH+](C)CC3)n2)c1 ZINC000473110904 562898551 /nfs/dbraw/zinc/89/85/51/562898551.db2.gz XIAZJEJGKJRHQA-UHFFFAOYSA-N 1 1 549.433 3.950 1 0 KHAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@@H+](CCO)CCC2 ZINC000473134837 562900557 /nfs/dbraw/zinc/90/05/57/562900557.db2.gz IRMGIUINRNWTRL-UHFFFAOYSA-N 1 1 546.093 3.970 1 0 KHAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@@H+](CCO)C2 ZINC000473136112 562900966 /nfs/dbraw/zinc/90/09/66/562900966.db2.gz XJWNNWKYALKNDK-UHFFFAOYSA-N 1 1 546.093 3.970 1 0 KHAFMO CC(C)Oc1ccc(C(=O)CN2CC[NH+](C)CC2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473145666 562901354 /nfs/dbraw/zinc/90/13/54/562901354.db2.gz BKXVJIGHOPYEME-UHFFFAOYSA-N 1 1 687.241 3.980 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCCc3ccccc3)cs2)C1 ZINC000473150865 562901575 /nfs/dbraw/zinc/90/15/75/562901575.db2.gz MXGDZNUOAXCJOV-UBPKPXMNSA-N 1 1 583.799 3.809 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCCc3ccccc3)cs2)C1 ZINC000473150865 562901574 /nfs/dbraw/zinc/90/15/74/562901574.db2.gz MXGDZNUOAXCJOV-UBPKPXMNSA-N 1 1 583.799 3.809 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCc3ccccc3)cs2)C1 ZINC000473152433 562901852 /nfs/dbraw/zinc/90/18/52/562901852.db2.gz UAEHYCOMSCHWNY-KXGBQXKMSA-N 1 1 569.772 3.767 1 0 KHAFMO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCc3ccccc3)cs2)C1 ZINC000473152433 562901851 /nfs/dbraw/zinc/90/18/51/562901851.db2.gz UAEHYCOMSCHWNY-KXGBQXKMSA-N 1 1 569.772 3.767 1 0 KHAFMO CN1CCC[N@@H+](Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000473165228 562902952 /nfs/dbraw/zinc/90/29/52/562902952.db2.gz SHSQBXHMJNQQLH-UHFFFAOYSA-N 1 1 514.655 3.951 1 0 KHAFMO CN1CCC[N@H+](Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000473165228 562902951 /nfs/dbraw/zinc/90/29/51/562902951.db2.gz SHSQBXHMJNQQLH-UHFFFAOYSA-N 1 1 514.655 3.951 1 0 KHAFMO C[N@H+]1CCCN(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000473165228 562902950 /nfs/dbraw/zinc/90/29/50/562902950.db2.gz SHSQBXHMJNQQLH-UHFFFAOYSA-N 1 1 514.655 3.951 1 0 KHAFMO Cc1nc(-c2cn3c(n2)-c2cnc(N4CCC[C@@H]4[C@H]4CCCC[N@@H+]4C)cc2OCC3)n(CC(F)(F)F)n1 ZINC000473236383 562904636 /nfs/dbraw/zinc/90/46/36/562904636.db2.gz BTRBVLVZBYMHDD-WOJBJXKFSA-N 1 1 516.572 3.920 1 0 KHAFMO CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3cnn(CC[NH+]4CCOCC4)c3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473243783 562904732 /nfs/dbraw/zinc/90/47/32/562904732.db2.gz AQNZAJISYIHHKZ-ISILISOKSA-N 1 1 617.795 3.722 1 0 KHAFMO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23)N1CCC1 ZINC000474609029 562905540 /nfs/dbraw/zinc/90/55/40/562905540.db2.gz NUFNJQZJHUDPSJ-ZFIHGSKBSA-N 1 1 529.625 3.851 1 0 KHAFMO COC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23 ZINC000474609549 562905573 /nfs/dbraw/zinc/90/55/73/562905573.db2.gz QTASUSYBPOIYGV-DQMRONCHSA-N 1 1 504.571 3.792 1 0 KHAFMO CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23 ZINC000474609632 562905578 /nfs/dbraw/zinc/90/55/78/562905578.db2.gz RPOUKFDLPIQZOR-HWLQVEPHSA-N 1 1 517.614 3.707 1 0 KHAFMO CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]23 ZINC000474609943 562905784 /nfs/dbraw/zinc/90/57/84/562905784.db2.gz XTDIXDPSUUNDMX-HWLQVEPHSA-N 1 1 501.615 3.827 1 0 KHAFMO COCCN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)CC1 ZINC000653680463 562906307 /nfs/dbraw/zinc/90/63/07/562906307.db2.gz OLPNESUVOGBIBW-AREMUKBSSA-N 1 1 563.816 3.979 1 0 KHAFMO COCCN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)CC1 ZINC000653680464 562906323 /nfs/dbraw/zinc/90/63/23/562906323.db2.gz OLPNESUVOGBIBW-SANMLTNESA-N 1 1 563.816 3.979 1 0 KHAFMO CN(C)[C@@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653681045 562906339 /nfs/dbraw/zinc/90/63/39/562906339.db2.gz STZBIAMKHPNIHH-DNQXCXABSA-N 1 1 547.773 3.912 1 0 KHAFMO CN(C)[C@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653681046 562906353 /nfs/dbraw/zinc/90/63/53/562906353.db2.gz STZBIAMKHPNIHH-RPWUZVMVSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653684991 562906460 /nfs/dbraw/zinc/90/64/60/562906460.db2.gz BXQIJEWXGSNMPH-UPVQGACJSA-N 1 1 533.746 3.665 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653684993 562906424 /nfs/dbraw/zinc/90/64/24/562906424.db2.gz BXQIJEWXGSNMPH-VWNXMTODSA-N 1 1 533.746 3.665 1 0 KHAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CC[NH+](CCO)CC3)n2)c1 ZINC000653685693 562906473 /nfs/dbraw/zinc/90/64/73/562906473.db2.gz BZUNUHLCZQADSW-UHFFFAOYSA-N 1 1 520.615 3.609 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000653691260 562906787 /nfs/dbraw/zinc/90/67/87/562906787.db2.gz SEYSXZSVRNZFOT-HHHXNRCGSA-N 1 1 568.118 3.758 1 0 KHAFMO CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000653691261 562906796 /nfs/dbraw/zinc/90/67/96/562906796.db2.gz SEYSXZSVRNZFOT-MHZLTWQESA-N 1 1 568.118 3.758 1 0 KHAFMO O=C(NCC[NH+](CCNC(=O)c1cc2ccccc2cn1)CCNC(=O)c1cc2ccccc2cn1)c1ccccc1 ZINC000653694167 562906898 /nfs/dbraw/zinc/90/68/98/562906898.db2.gz ADZDJOMEALCFGA-UHFFFAOYSA-N 1 1 560.658 3.675 1 0 KHAFMO COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1OC ZINC000653703242 562907630 /nfs/dbraw/zinc/90/76/30/562907630.db2.gz ZTQQPPORKRCKLL-AHKZPQOWSA-N 1 1 543.108 3.621 1 0 KHAFMO COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(C[N@H+]5C[C@H](O)C(C)(C)C5)cc4)CC3)o2)cc1 ZINC000653718475 562908628 /nfs/dbraw/zinc/90/86/28/562908628.db2.gz DATKXEGBFDTYBY-DEOSSOPVSA-N 1 1 506.603 3.632 1 0 KHAFMO COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(C[N@H+]5C[C@@H](O)C(C)(C)C5)cc4)CC3)o2)cc1 ZINC000653718476 562908618 /nfs/dbraw/zinc/90/86/18/562908618.db2.gz DATKXEGBFDTYBY-XMMPIXPASA-N 1 1 506.603 3.632 1 0 KHAFMO COc1ccc(S(=O)(=O)NCCc2cccc3ccc(Br)cc32)cc1N1CC[NH+](C)CC1 ZINC000653720580 562908716 /nfs/dbraw/zinc/90/87/16/562908716.db2.gz IQIGNPHIOTYWIF-UHFFFAOYSA-N 1 1 518.477 3.884 1 0 KHAFMO Cn1c(SCCC[N@@H+]2C[C@H]3[C@@H](CCN3c3cccc(OC(F)(F)F)c3)C2)nnc1-c1cnccn1 ZINC000653723258 562908863 /nfs/dbraw/zinc/90/88/63/562908863.db2.gz IZZNYYLQSUDWDO-JXFKEZNVSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723259 562908852 /nfs/dbraw/zinc/90/88/52/562908852.db2.gz IZZNYYLQSUDWDO-OXJNMPFZSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723260 562908834 /nfs/dbraw/zinc/90/88/34/562908834.db2.gz IZZNYYLQSUDWDO-OXQOHEQNSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4cccc(OC(F)(F)F)c4)[C@H]3C2)nnc1-c1cnccn1 ZINC000653723261 562908848 /nfs/dbraw/zinc/90/88/48/562908848.db2.gz IZZNYYLQSUDWDO-UZLBHIALSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@H]3C2)nnc1-c1cnccn1 ZINC000653723366 562908874 /nfs/dbraw/zinc/90/88/74/562908874.db2.gz ZXYDGAXWWXINKE-APWZRJJASA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@@H+]2C[C@H]3[C@@H](CCN3c3ccccc3OC(F)(F)F)C2)nnc1-c1cnccn1 ZINC000653723367 562908883 /nfs/dbraw/zinc/90/88/83/562908883.db2.gz ZXYDGAXWWXINKE-LPHOPBHVSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723368 562908886 /nfs/dbraw/zinc/90/88/86/562908886.db2.gz ZXYDGAXWWXINKE-QFBILLFUSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653723369 562908897 /nfs/dbraw/zinc/90/88/97/562908897.db2.gz ZXYDGAXWWXINKE-VQIMIIECSA-N 1 1 505.570 3.864 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725047 562909020 /nfs/dbraw/zinc/90/90/20/562909020.db2.gz STIWHEMFVTWALB-DYESRHJHSA-N 1 1 518.609 3.893 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725048 562909039 /nfs/dbraw/zinc/90/90/39/562909039.db2.gz STIWHEMFVTWALB-LAUBAEHRSA-N 1 1 518.609 3.893 1 0 KHAFMO Cn1c(SCCC[N@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725049 562909022 /nfs/dbraw/zinc/90/90/22/562909022.db2.gz STIWHEMFVTWALB-UTKZUKDTSA-N 1 1 518.609 3.893 1 0 KHAFMO Cn1c(SCCC[N@@H+]2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(=O)n(C)c1 ZINC000653725050 562909046 /nfs/dbraw/zinc/90/90/46/562909046.db2.gz STIWHEMFVTWALB-UWJYYQICSA-N 1 1 518.609 3.893 1 0 KHAFMO Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2ccc(C(F)(F)F)cc2)n1C ZINC000653726435 562909180 /nfs/dbraw/zinc/90/91/80/562909180.db2.gz GWXIZHPBMCIUCC-MOPGFXCFSA-N 1 1 508.570 3.869 1 0 KHAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)n1C ZINC000653726436 562909169 /nfs/dbraw/zinc/90/91/69/562909169.db2.gz GWXIZHPBMCIUCC-OALUTQOASA-N 1 1 508.570 3.869 1 0 KHAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)n1C ZINC000653726437 562909154 /nfs/dbraw/zinc/90/91/54/562909154.db2.gz GWXIZHPBMCIUCC-RBUKOAKNSA-N 1 1 508.570 3.869 1 0 KHAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2C[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)n1C ZINC000653726438 562909149 /nfs/dbraw/zinc/90/91/49/562909149.db2.gz GWXIZHPBMCIUCC-RTBURBONSA-N 1 1 508.570 3.869 1 0 KHAFMO Nc1[nH+]cnc2c1c(-c1cccc(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@@H](CN2CCS(=O)CC2)C1 ZINC000653729199 562909345 /nfs/dbraw/zinc/90/93/45/562909345.db2.gz CBQODGRJHHJAEC-MDSHCDAHSA-N 1 1 521.687 3.786 1 0 KHAFMO Nc1[nH+]cnc2c1c(-c1cccc(OCC34CCC(CC3)O4)c1F)cn2[C@H]1C[C@@H](CN2CCS(=O)CC2)C1 ZINC000653729268 562909348 /nfs/dbraw/zinc/90/93/48/562909348.db2.gz VTEJDQKFIBPFFN-ITXHVEOOSA-N 1 1 539.677 3.925 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000653735921 562909635 /nfs/dbraw/zinc/90/96/35/562909635.db2.gz CFCHIEDCTWPVCJ-JOXZGHKQSA-N 1 1 503.474 3.632 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000653735922 562909659 /nfs/dbraw/zinc/90/96/59/562909659.db2.gz CFCHIEDCTWPVCJ-UWIXBZKZSA-N 1 1 503.474 3.632 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@H](O)C3)[C@@H]21 ZINC000653735923 562909655 /nfs/dbraw/zinc/90/96/55/562909655.db2.gz CFCHIEDCTWPVCJ-WBWGFTFRSA-N 1 1 503.474 3.632 1 0 KHAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cccnc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@H](O)C3)[C@H]21 ZINC000653735924 562909667 /nfs/dbraw/zinc/90/96/67/562909667.db2.gz CFCHIEDCTWPVCJ-ZUDIISFQSA-N 1 1 503.474 3.632 1 0 KHAFMO Nc1[nH+]cnc2c1c(-c1cc(OCC34CCC(CC3)O4)ccc1F)cn2[C@H]1C[C@@H](CN2CCS(=O)CC2)C1 ZINC000653736002 562909705 /nfs/dbraw/zinc/90/97/05/562909705.db2.gz JAXCPMZZRNLZBU-ITXHVEOOSA-N 1 1 539.677 3.925 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653754929 562910833 /nfs/dbraw/zinc/91/08/33/562910833.db2.gz UJYWAKUSEQRDHA-DHIUTWEWSA-N 1 1 533.746 3.522 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653754930 562910835 /nfs/dbraw/zinc/91/08/35/562910835.db2.gz UJYWAKUSEQRDHA-PKTZIBPZSA-N 1 1 533.746 3.522 1 0 KHAFMO Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653756186 562910975 /nfs/dbraw/zinc/91/09/75/562910975.db2.gz DVZLRZRNQACFMG-UHFFFAOYSA-N 1 1 573.675 3.646 1 0 KHAFMO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768333 562911749 /nfs/dbraw/zinc/91/17/49/562911749.db2.gz ZUMVEPKZDXTGAW-DQEYMECFSA-N 1 1 547.773 3.925 1 0 KHAFMO CC(=O)N[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768334 562911731 /nfs/dbraw/zinc/91/17/31/562911731.db2.gz ZUMVEPKZDXTGAW-RPBOFIJWSA-N 1 1 547.773 3.925 1 0 KHAFMO CN(C)[C@@H]1CC[N@@H+](CC2CCN(c3nc(N4CC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653773139 562911852 /nfs/dbraw/zinc/91/18/52/562911852.db2.gz DRDCECDCZJUZJG-DHIUTWEWSA-N 1 1 533.746 3.522 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775800 562911938 /nfs/dbraw/zinc/91/19/38/562911938.db2.gz VMROUOREXJMAKQ-DNQXCXABSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCC[C@@H](C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775801 562911909 /nfs/dbraw/zinc/91/19/09/562911909.db2.gz VMROUOREXJMAKQ-RPWUZVMVSA-N 1 1 547.773 3.912 1 0 KHAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCN(C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775802 562911911 /nfs/dbraw/zinc/91/19/11/562911911.db2.gz WGJRSLCQRLRDRN-DEOSSOPVSA-N 1 1 519.763 3.962 1 0 KHAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCN(C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653775803 562911915 /nfs/dbraw/zinc/91/19/15/562911915.db2.gz WGJRSLCQRLRDRN-XMMPIXPASA-N 1 1 519.763 3.962 1 0 KHAFMO CC(C)(C)NC(=O)[C@@H](c1ccc(Br)cc1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000653780499 562912126 /nfs/dbraw/zinc/91/21/26/562912126.db2.gz QGTKOHYOLKOMJT-HHHXNRCGSA-N 1 1 612.569 3.867 1 0 KHAFMO CC(C)(C)NC(=O)[C@H](c1ccc(Br)cc1)N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000653780500 562912118 /nfs/dbraw/zinc/91/21/18/562912118.db2.gz QGTKOHYOLKOMJT-MHZLTWQESA-N 1 1 612.569 3.867 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 ZINC000653795615 562913049 /nfs/dbraw/zinc/91/30/49/562913049.db2.gz GDIAQHPBSQUEQC-IBGZPJMESA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 ZINC000653795615 562913048 /nfs/dbraw/zinc/91/30/48/562913048.db2.gz GDIAQHPBSQUEQC-IBGZPJMESA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 ZINC000653795616 562913062 /nfs/dbraw/zinc/91/30/62/562913062.db2.gz GDIAQHPBSQUEQC-LJQANCHMSA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1 ZINC000653795616 562913061 /nfs/dbraw/zinc/91/30/61/562913061.db2.gz GDIAQHPBSQUEQC-LJQANCHMSA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1 ZINC000653795655 562913058 /nfs/dbraw/zinc/91/30/58/562913058.db2.gz ODUXFQKZMHFWKP-IBGZPJMESA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1 ZINC000653795655 562913057 /nfs/dbraw/zinc/91/30/57/562913057.db2.gz ODUXFQKZMHFWKP-IBGZPJMESA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1 ZINC000653795656 562913065 /nfs/dbraw/zinc/91/30/65/562913065.db2.gz ODUXFQKZMHFWKP-LJQANCHMSA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cncc(C(N)=O)c1 ZINC000653795656 562913064 /nfs/dbraw/zinc/91/30/64/562913064.db2.gz ODUXFQKZMHFWKP-LJQANCHMSA-N 1 1 506.554 3.551 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1 ZINC000653799703 562913387 /nfs/dbraw/zinc/91/33/87/562913387.db2.gz UOTFFOLRZJNLDZ-FQEVSTJZSA-N 1 1 541.621 3.704 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1 ZINC000653799703 562913386 /nfs/dbraw/zinc/91/33/86/562913386.db2.gz UOTFFOLRZJNLDZ-FQEVSTJZSA-N 1 1 541.621 3.704 1 0 KHAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1 ZINC000653799704 562913390 /nfs/dbraw/zinc/91/33/90/562913390.db2.gz UOTFFOLRZJNLDZ-HXUWFJFHSA-N 1 1 541.621 3.704 1 0 KHAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1 ZINC000653799704 562913389 /nfs/dbraw/zinc/91/33/89/562913389.db2.gz UOTFFOLRZJNLDZ-HXUWFJFHSA-N 1 1 541.621 3.704 1 0 KHAFMO CO[C@]12C=C[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1C)[C@H]2O5 ZINC000653808729 562913790 /nfs/dbraw/zinc/91/37/90/562913790.db2.gz DNVSPOULYYBPLY-WUHZNUJESA-N 1 1 567.727 3.814 1 0 KHAFMO [NH3+][C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000653834573 562914640 /nfs/dbraw/zinc/91/46/40/562914640.db2.gz XEJRKVCKRPQXCJ-XXAUWVGASA-N 1 1 603.617 3.897 1 0 KHAFMO CCC[N@@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C ZINC000653843499 562914992 /nfs/dbraw/zinc/91/49/92/562914992.db2.gz LBQZXQMJOHXVBN-NRFANRHFSA-N 1 1 530.691 3.643 1 0 KHAFMO CCc1cc(-c2noc(-c3ccc(C)c(C[N@@H+](C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653844304 562915034 /nfs/dbraw/zinc/91/50/34/562915034.db2.gz MPVPBMGWPRNOFV-VWLOTQADSA-N 1 1 524.662 3.519 1 0 KHAFMO CCCC[N@@H+](C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C ZINC000653844321 562915068 /nfs/dbraw/zinc/91/50/68/562915068.db2.gz RWNAEBWZUCNLRW-VWLOTQADSA-N 1 1 524.662 3.663 1 0 KHAFMO CCc1cc(-c2noc(-c3sc(C[N@@H+](C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653845114 562915097 /nfs/dbraw/zinc/91/50/97/562915097.db2.gz QQCRLMZNIPHVFY-QFIPXVFZSA-N 1 1 544.718 3.889 1 0 KHAFMO CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CCC[N@H+]4CCCS(C)(=O)=O)CC3)cc2CS1(=O)=O ZINC000653845369 562915152 /nfs/dbraw/zinc/91/51/52/562915152.db2.gz BRXPEZGPMOEOCA-UHFFFAOYSA-N 1 1 553.150 3.551 1 0 KHAFMO CCc1cc(-c2noc(-c3cc(C[N@@H+](C)CC(C)C)ccc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653852788 562915594 /nfs/dbraw/zinc/91/55/94/562915594.db2.gz BIOWKMPEEDAFKL-DEOSSOPVSA-N 1 1 524.662 3.519 1 0 KHAFMO CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(C[C@@H]3CC[NH2+]CC3(F)F)c2n1 ZINC000653858712 562915889 /nfs/dbraw/zinc/91/58/89/562915889.db2.gz SFNRLFDMFWZHTP-KRWDZBQOSA-N 1 1 526.975 3.858 1 0 KHAFMO CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(C[C@H]3CC[NH2+]CC3(F)F)c2n1 ZINC000653858717 562915919 /nfs/dbraw/zinc/91/59/19/562915919.db2.gz SFNRLFDMFWZHTP-QGZVFWFLSA-N 1 1 526.975 3.858 1 0 KHAFMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3csc4c3nc[nH]c4=O)c(OC(C(F)(F)F)C(F)(F)F)c2)CC1 ZINC000653859595 562915906 /nfs/dbraw/zinc/91/59/06/562915906.db2.gz PHHWMKDAROPSRP-UHFFFAOYSA-N 1 1 563.480 3.909 1 0 KHAFMO COc1cccc(C(=N)Nc2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cc2)c1 ZINC000653859674 562915953 /nfs/dbraw/zinc/91/59/53/562915953.db2.gz MVYGGCLIELKVQN-UHFFFAOYSA-N 1 1 598.708 3.996 1 0 KHAFMO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(OCCOCCO)cc6)[nH]c5c4)nc3c2)CC1 ZINC000653895738 562917392 /nfs/dbraw/zinc/91/73/92/562917392.db2.gz CJKHUKVPSVXFEG-UHFFFAOYSA-N 1 1 512.614 3.913 1 0 KHAFMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)c2ccc(N)cc2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004522421 561695029 /nfs/dbraw/zinc/69/50/29/561695029.db2.gz RZJORDLTBFBRBO-FZAZYMOWSA-N 1 1 533.625 3.728 3 0 KHAFMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)c2ccc(N)cc2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004522421 561695026 /nfs/dbraw/zinc/69/50/26/561695026.db2.gz RZJORDLTBFBRBO-FZAZYMOWSA-N 1 1 533.625 3.728 3 0 KHAFMO C[NH+]1CCN(C(=O)C2=C[C@@H](c3ccc(Br)cc3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656870 561723207 /nfs/dbraw/zinc/72/32/07/561723207.db2.gz PKBJYXTWEQOPMA-QPPBQGQZSA-N 1 1 501.421 3.646 3 0 KHAFMO Cc1ccccc1CN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000015944185 561753676 /nfs/dbraw/zinc/75/36/76/561753676.db2.gz XWVWCHWOVFKCJK-QNGWXLTQSA-N 1 1 517.651 3.774 3 0 KHAFMO Cc1ccccc1CN1c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000015944187 561753666 /nfs/dbraw/zinc/75/36/66/561753666.db2.gz XWVWCHWOVFKCJK-DIPNUNPCSA-N 1 1 517.651 3.774 3 0 KHAFMO CCN1CCN(C(=O)c2cc(Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)N3CC[NH+](CC)CC3)c2)CC1 ZINC000017595904 561756662 /nfs/dbraw/zinc/75/66/62/561756662.db2.gz ZIHQMVXHJRVGQI-UHFFFAOYSA-N 1 1 540.533 3.730 3 0 KHAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C(=O)OC)CCCC[N@@H+]1[C@@H]2c1ccc(-c2ccc(C(C)=O)cc2)c(OC)c1 ZINC000036386521 562060122 /nfs/dbraw/zinc/06/01/22/562060122.db2.gz DXYKZXBROHEJHT-IKOOFXLXSA-N 1 1 504.583 3.638 3 0 KHAFMO CC[C@H](C)Cc1cn([C@@H](CCCC[NH3+])C(=O)NCCCCCCCCCCC(=O)N2CCNCC2)nn1 ZINC000036386740 562060070 /nfs/dbraw/zinc/06/00/70/562060070.db2.gz LRVXSTXOCOVSQU-AHWVRZQESA-N 1 1 519.779 3.596 3 0 KHAFMO CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCNCC1)n1cc(CCCCC[NH3+])nn1 ZINC000036386758 562060091 /nfs/dbraw/zinc/06/00/91/562060091.db2.gz BLOLLGHWSASITE-IGKIAQTJSA-N 1 1 519.779 3.596 3 0 KHAFMO CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cc(OC)cc(OC)c3)c2)CC1 ZINC000038150065 562066292 /nfs/dbraw/zinc/06/62/92/562066292.db2.gz RPXCBOUCHPUGIK-RDGATRHJSA-N 1 1 585.705 3.519 3 0 KHAFMO CCc1[nH+]c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061896839 562702925 /nfs/dbraw/zinc/70/29/25/562702925.db2.gz UALVXLPTAIWLDI-UHFFFAOYSA-N 1 1 501.587 3.733 3 0 KHAFMO COc1cccc(CNc2nc3cc(-c4ccc(C(=O)N5CC[NH+](C)CC5)cc4)sc3c(=O)n2C)c1 ZINC000061905533 562703025 /nfs/dbraw/zinc/70/30/25/562703025.db2.gz XNBKKINHVOQNAA-UHFFFAOYSA-N 1 1 503.628 3.670 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2cc(-c3ccccc3F)ccc2S1(=O)=O ZINC000061922561 562703357 /nfs/dbraw/zinc/70/33/57/562703357.db2.gz BDZXWMZQBJFLSO-UNVFRBQDSA-N 1 1 513.635 3.788 3 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061945425 562703858 /nfs/dbraw/zinc/70/38/58/562703858.db2.gz YAZCQYURBLEIHO-MRJKTFCFSA-N 1 1 505.663 3.602 3 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061945563 562703865 /nfs/dbraw/zinc/70/38/65/562703865.db2.gz YAZCQYURBLEIHO-UXWDXCIHSA-N 1 1 505.663 3.602 3 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000061946107 562703947 /nfs/dbraw/zinc/70/39/47/562703947.db2.gz YAZCQYURBLEIHO-IWHLBADBSA-N 1 1 505.663 3.602 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000061947739 562704112 /nfs/dbraw/zinc/70/41/12/562704112.db2.gz IWDPLAYWOFNOIJ-LZCXECNNSA-N 1 1 508.663 3.953 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000061947769 562704130 /nfs/dbraw/zinc/70/41/30/562704130.db2.gz GQBJBCNAEKUCKM-LZCXECNNSA-N 1 1 502.615 3.686 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000061947791 562704146 /nfs/dbraw/zinc/70/41/46/562704146.db2.gz UMCFIJQAKCUWET-NJNPRVFISA-N 1 1 522.568 3.715 3 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000061948282 562704183 /nfs/dbraw/zinc/70/41/83/562704183.db2.gz TVGXUMYQELELCU-LGVUCKNBSA-N 1 1 508.663 3.953 3 0 KHAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3cc(C(C)=O)cs3)c(OC)c1)[N@H+]1CCCC[C@@]21C(=O)OC ZINC000061959606 562704370 /nfs/dbraw/zinc/70/43/70/562704370.db2.gz WBZJPSMVLPHFHF-TZKYFUQOSA-N 1 1 510.612 3.700 3 0 KHAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3cc(C(C)=O)cs3)c(OC)c1)[N@@H+]1CCCC[C@@]21C(=O)OC ZINC000061959606 562704369 /nfs/dbraw/zinc/70/43/69/562704369.db2.gz WBZJPSMVLPHFHF-TZKYFUQOSA-N 1 1 510.612 3.700 3 0 KHAFMO COC(=O)[C@@]12CCC[N@H+]1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959659 562704349 /nfs/dbraw/zinc/70/43/49/562704349.db2.gz VEMWSQYWIYRHRZ-HULNYRCFSA-N 1 1 503.382 3.962 3 0 KHAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)O3)cc1 ZINC000066124401 562712700 /nfs/dbraw/zinc/71/27/00/562712700.db2.gz CXWGTBZCKOOTHZ-DUELTEGESA-N 1 1 581.735 3.777 3 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000066124430 562712696 /nfs/dbraw/zinc/71/26/96/562712696.db2.gz RPGIBJKWWMWOCH-HIRWGAFWSA-N 1 1 561.639 3.806 3 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O ZINC000066129458 562712961 /nfs/dbraw/zinc/71/29/61/562712961.db2.gz VHEBRLFBVVIGEB-WOGXIUBCSA-N 1 1 558.528 3.646 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066129578 562713023 /nfs/dbraw/zinc/71/30/23/562713023.db2.gz RWKVSXVPVZVLCW-DKGMKSHISA-N 1 1 559.663 3.949 3 0 KHAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066148722 562713680 /nfs/dbraw/zinc/71/36/80/562713680.db2.gz WHAMMSTUKUIKDL-PFPZSTESSA-N 1 1 567.708 3.848 3 0 KHAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066148722 562713679 /nfs/dbraw/zinc/71/36/79/562713679.db2.gz WHAMMSTUKUIKDL-PFPZSTESSA-N 1 1 567.708 3.848 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066157299 562713922 /nfs/dbraw/zinc/71/39/22/562713922.db2.gz QWVLOLROPYHNRQ-OREGWCPLSA-N 1 1 537.682 3.840 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066157299 562713921 /nfs/dbraw/zinc/71/39/21/562713921.db2.gz QWVLOLROPYHNRQ-OREGWCPLSA-N 1 1 537.682 3.840 3 0 KHAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000066167230 562714327 /nfs/dbraw/zinc/71/43/27/562714327.db2.gz GYFFHKZTXAXEFC-LWPQGVMLSA-N 1 1 609.745 3.806 3 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000070462931 562716386 /nfs/dbraw/zinc/71/63/86/562716386.db2.gz RTDBYDGQKCGXQZ-JVAFGIKQSA-N 1 1 573.115 3.888 3 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000072102414 562720312 /nfs/dbraw/zinc/72/03/12/562720312.db2.gz KQLDLPDWVHVVHP-JLWZNRLGSA-N 1 1 619.781 3.714 3 0 KHAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000072103345 562720355 /nfs/dbraw/zinc/72/03/55/562720355.db2.gz HXLMMAKDABIQQI-WISKXVKBSA-N 1 1 693.889 3.666 3 0 KHAFMO O=S1(=O)C[C@H]([NH+]2CCC(c3ccccc3)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000072104573 562720505 /nfs/dbraw/zinc/72/05/05/562720505.db2.gz ISDYTMHFAYSQRB-XMMPIXPASA-N 1 1 519.593 3.739 3 0 KHAFMO O=S1(=O)C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000072104574 562720532 /nfs/dbraw/zinc/72/05/32/562720532.db2.gz ISDYTMHFAYSQRB-DEOSSOPVSA-N 1 1 519.593 3.739 3 0 KHAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000072121469 562724262 /nfs/dbraw/zinc/72/42/62/562724262.db2.gz CUSMSBFNEHNGNQ-IWHLBADBSA-N 1 1 521.662 3.727 3 0 KHAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000072127066 562725690 /nfs/dbraw/zinc/72/56/90/562725690.db2.gz HLNYIAPJLJSOQM-QRIZJJBVSA-N 1 1 727.906 3.862 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C(=O)C1=O ZINC000072128677 562726209 /nfs/dbraw/zinc/72/62/09/562726209.db2.gz YJKOWXLHJKNGLO-WNQXLSPZSA-N 1 1 643.873 3.763 3 0 KHAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000072133444 562726999 /nfs/dbraw/zinc/72/69/99/562726999.db2.gz CUSMSBFNEHNGNQ-MRJKTFCFSA-N 1 1 521.662 3.727 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000072136232 562727841 /nfs/dbraw/zinc/72/78/41/562727841.db2.gz ZCBWRLDBWSHWRH-WISKXVKBSA-N 1 1 693.889 3.666 3 0 KHAFMO COc1ccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000072136449 562727942 /nfs/dbraw/zinc/72/79/42/562727942.db2.gz AREJYQOOUDRLED-SQPLFZEDSA-N 1 1 524.625 3.863 3 0 KHAFMO COc1ccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000072136450 562727960 /nfs/dbraw/zinc/72/79/60/562727960.db2.gz AREJYQOOUDRLED-GPQZBTEDSA-N 1 1 524.625 3.863 3 0 KHAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137631 562728317 /nfs/dbraw/zinc/72/83/17/562728317.db2.gz PYOYYTAZFXXAGI-MHZLTWQESA-N 1 1 507.642 3.824 3 0 KHAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2 ZINC000072137632 562728337 /nfs/dbraw/zinc/72/83/37/562728337.db2.gz PYOYYTAZFXXAGI-HHHXNRCGSA-N 1 1 507.642 3.824 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000072137669 562728390 /nfs/dbraw/zinc/72/83/90/562728390.db2.gz CJEVEOVLCDDBBL-OREGWCPLSA-N 1 1 516.642 3.615 3 0 KHAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](CCc1ccccc1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072138281 562728725 /nfs/dbraw/zinc/72/87/25/562728725.db2.gz XOMUVVCCLFYKKL-SANMLTNESA-N 1 1 551.651 3.536 3 0 KHAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](CCc1ccccc1)c1nnnn1-c1ccc3c(c1)OCCO3)CC2 ZINC000072138282 562728731 /nfs/dbraw/zinc/72/87/31/562728731.db2.gz XOMUVVCCLFYKKL-AREMUKBSSA-N 1 1 551.651 3.536 3 0 KHAFMO CCc1[nH+]c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072138543 562728814 /nfs/dbraw/zinc/72/88/14/562728814.db2.gz LDWGMDQBPGKHGY-UHFFFAOYSA-N 1 1 562.534 3.793 3 0 KHAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000072138562 562728798 /nfs/dbraw/zinc/72/87/98/562728798.db2.gz NZVPITXMMZLLKN-HQPLKVBUSA-N 1 1 677.890 3.960 3 0 KHAFMO COc1ccc(-n2nnnc2[C@@H](CCc2ccccc2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139658 562728997 /nfs/dbraw/zinc/72/89/97/562728997.db2.gz XLRWXRFHHYVTDA-HHHXNRCGSA-N 1 1 523.641 3.773 3 0 KHAFMO COc1ccc(-n2nnnc2[C@H](CCc2ccccc2)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072139659 562729017 /nfs/dbraw/zinc/72/90/17/562729017.db2.gz XLRWXRFHHYVTDA-MHZLTWQESA-N 1 1 523.641 3.773 3 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC[N@H+]2C)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072142761 562729632 /nfs/dbraw/zinc/72/96/32/562729632.db2.gz QNPXTRYBNJAKIP-MPPVQRIUSA-N 1 1 546.712 3.756 3 0 KHAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095566436 562765017 /nfs/dbraw/zinc/76/50/17/562765017.db2.gz AGWRHCYAPSUHIX-GTKRZRNESA-N 1 1 727.906 3.862 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000095566620 562765134 /nfs/dbraw/zinc/76/51/34/562765134.db2.gz YDHQQAKULNBCPC-CUPIEXAXSA-N 1 1 703.925 3.868 3 0 KHAFMO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095567008 562765424 /nfs/dbraw/zinc/76/54/24/562765424.db2.gz AVOUADMOHVRIRE-QRIZJJBVSA-N 1 1 727.906 3.862 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C(=O)C1=O ZINC000095567135 562765510 /nfs/dbraw/zinc/76/55/10/562765510.db2.gz HAKJPTOFOQFTCJ-YDPTYEFTSA-N 1 1 651.893 3.807 3 0 KHAFMO CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C(=O)C1=O ZINC000095567247 562765622 /nfs/dbraw/zinc/76/56/22/562765622.db2.gz YTVAEHVNWGOMMW-CUPIEXAXSA-N 1 1 643.873 3.763 3 0 KHAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095567327 562765695 /nfs/dbraw/zinc/76/56/95/562765695.db2.gz HLNYIAPJLJSOQM-GTKRZRNESA-N 1 1 727.906 3.862 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095568052 562766292 /nfs/dbraw/zinc/76/62/92/562766292.db2.gz ROMXBCPVPNRXKX-CUPIEXAXSA-N 1 1 701.909 3.709 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095568204 562766364 /nfs/dbraw/zinc/76/63/64/562766364.db2.gz XILPWZUBCWDLIQ-BQYLNSIHSA-N 1 1 677.890 3.960 3 0 KHAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000095568320 562766488 /nfs/dbraw/zinc/76/64/88/562766488.db2.gz CUSMSBFNEHNGNQ-UXWDXCIHSA-N 1 1 521.662 3.727 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095568701 562766859 /nfs/dbraw/zinc/76/68/59/562766859.db2.gz MKYNSOGTKFUOQY-FYQCMVGJSA-N 1 1 555.672 3.979 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095568701 562766858 /nfs/dbraw/zinc/76/68/58/562766858.db2.gz MKYNSOGTKFUOQY-FYQCMVGJSA-N 1 1 555.672 3.979 3 0 KHAFMO CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095569136 562767189 /nfs/dbraw/zinc/76/71/89/562767189.db2.gz AZLRSSDFHSJSDX-BQYLNSIHSA-N 1 1 677.890 3.960 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000095570204 562768031 /nfs/dbraw/zinc/76/80/31/562768031.db2.gz ZSKYPTOSDZFDKL-YDPTYEFTSA-N 1 1 653.909 3.966 3 0 KHAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O ZINC000095570276 562768076 /nfs/dbraw/zinc/76/80/76/562768076.db2.gz CUSMSBFNEHNGNQ-SXDGJLEOSA-N 1 1 521.662 3.727 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C(=O)C1=O ZINC000095570548 562768260 /nfs/dbraw/zinc/76/82/60/562768260.db2.gz FQMSLOXIEJOIFP-BHSUFKTOSA-N 1 1 609.856 3.567 3 0 KHAFMO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095598888 562777618 /nfs/dbraw/zinc/77/76/18/562777618.db2.gz NPGGAJVBTHPLKO-ZQWQDMLBSA-N 1 1 743.905 3.568 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095599798 562778338 /nfs/dbraw/zinc/77/83/38/562778338.db2.gz INOHYMVQOBEDPJ-GTKRZRNESA-N 1 1 787.958 3.967 3 0 KHAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000095599872 562778392 /nfs/dbraw/zinc/77/83/92/562778392.db2.gz NZVPITXMMZLLKN-BQYLNSIHSA-N 1 1 677.890 3.960 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095599993 562778494 /nfs/dbraw/zinc/77/84/94/562778494.db2.gz ABZNSGPREFZBGO-GTKRZRNESA-N 1 1 787.958 3.967 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095600013 562778544 /nfs/dbraw/zinc/77/85/44/562778544.db2.gz GTOCTWUKUJKSJD-ZQWQDMLBSA-N 1 1 803.957 3.672 3 0 KHAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)[N@@H+](Cc2nccs2)C[C@H]1C ZINC000095600339 562778819 /nfs/dbraw/zinc/77/88/19/562778819.db2.gz AESBZRSUMOJVBN-IMWIBFENSA-N 1 1 530.691 3.514 3 0 KHAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)[N@H+](Cc2nccs2)C[C@H]1C ZINC000095600339 562778818 /nfs/dbraw/zinc/77/88/18/562778818.db2.gz AESBZRSUMOJVBN-IMWIBFENSA-N 1 1 530.691 3.514 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095600530 562778943 /nfs/dbraw/zinc/77/89/43/562778943.db2.gz JCGFVOKFCLLYEO-CUPIEXAXSA-N 1 1 703.925 3.868 3 0 KHAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095600552 562779020 /nfs/dbraw/zinc/77/90/20/562779020.db2.gz SDLGGYSOBVCKOR-GTKRZRNESA-N 1 1 787.958 3.967 3 0 KHAFMO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000095600832 562779255 /nfs/dbraw/zinc/77/92/55/562779255.db2.gz RLXKGPKNCFSIBQ-ZQWQDMLBSA-N 1 1 743.905 3.568 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095601359 562779605 /nfs/dbraw/zinc/77/96/05/562779605.db2.gz ABDBAGPWPRZDPO-WNQXLSPZSA-N 1 1 643.873 3.763 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095601998 562779866 /nfs/dbraw/zinc/77/98/66/562779866.db2.gz ABDBAGPWPRZDPO-CUPIEXAXSA-N 1 1 643.873 3.763 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095603372 562780483 /nfs/dbraw/zinc/78/04/83/562780483.db2.gz SGWOARHQJYHHLA-ZYADHFCISA-N 1 1 693.889 3.666 3 0 KHAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000095604532 562781049 /nfs/dbraw/zinc/78/10/49/562781049.db2.gz HXLMMAKDABIQQI-ZYADHFCISA-N 1 1 693.889 3.666 3 0 KHAFMO O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@@H+]2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccccc1 ZINC000095604909 562781260 /nfs/dbraw/zinc/78/12/60/562781260.db2.gz OMSXRPOVUJZPFL-VPBXCIAMSA-N 1 1 506.565 3.564 3 0 KHAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000095605714 562781699 /nfs/dbraw/zinc/78/16/99/562781699.db2.gz ZCBWRLDBWSHWRH-ZYADHFCISA-N 1 1 693.889 3.666 3 0 KHAFMO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000095605751 562781735 /nfs/dbraw/zinc/78/17/35/562781735.db2.gz BTQKBXMUJRVKNQ-BQYLNSIHSA-N 1 1 735.926 3.905 3 0 KHAFMO CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OC[C@@H](C)[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000095689848 562788435 /nfs/dbraw/zinc/78/84/35/562788435.db2.gz GRFOSLOREGQSPJ-TYPXCFOJSA-N 1 1 552.697 3.889 3 0 KHAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3ccc(C(C)=O)cc3)c(OC)c1)[N@H+]1CCCC[C@@]21C(=O)OC ZINC000102889180 562813450 /nfs/dbraw/zinc/81/34/50/562813450.db2.gz DXYKZXBROHEJHT-VYUAFQCHSA-N 1 1 504.583 3.638 3 0 KHAFMO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000169304742 562853348 /nfs/dbraw/zinc/85/33/48/562853348.db2.gz QHQAICZZNCLVNB-BQYLNSIHSA-N 1 1 735.926 3.905 3 0 KHAFMO CCCC[N@@H+](C)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000249792454 562881656 /nfs/dbraw/zinc/88/16/56/562881656.db2.gz KGAXECTUGWHSRW-AABMPORXSA-N 1 1 566.743 3.601 3 0 KHAFMO CCCC[N@@H+](C)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000249792456 562881658 /nfs/dbraw/zinc/88/16/58/562881658.db2.gz KGAXECTUGWHSRW-BKIVMICJSA-N 1 1 566.743 3.601 3 0 KHAFMO CCCC[N@@H+](C)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000249792458 562881654 /nfs/dbraw/zinc/88/16/54/562881654.db2.gz KGAXECTUGWHSRW-DVUQDHQASA-N 1 1 566.743 3.601 3 0 KHAFMO CCCC[N@@H+](C)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000249792461 562881649 /nfs/dbraw/zinc/88/16/49/562881649.db2.gz KGAXECTUGWHSRW-WRLUBTDISA-N 1 1 566.743 3.601 3 0 KHAFMO